data_2ecl_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 2ecl _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 ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 22' ' ' ARG . 54.0 t -49.39 107.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.52 -28.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CG2' ' HB3' ' A' ' 56' ' ' CYS . 33.5 mt -51.88 -48.08 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -117.65 -8.84 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.7 mmm180 65.71 38.56 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 24' ' ' GLN . 40.7 t -122.66 147.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' HG11 ' A' ' 23' ' ' VAL . 35.0 mm-40 -47.81 102.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 3.2 p -44.55 -30.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -67.32 -37.59 83.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.24 174.94 6.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.36 151.98 42.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -75.41 173.07 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.06 -14.24 61.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -90.72 -28.24 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.2 m -92.93 -33.09 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.6 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.56 -36.83 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.79 -8.14 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.05 43.47 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -110.58 23.17 14.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mp0 -47.07 -58.8 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 34.7 tt0 -37.1 -31.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' GLN . 7.9 t70 -88.2 -38.92 14.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -62.17 88.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.498 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.8 m -99.11 176.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -103.28 130.97 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -116.1 112.09 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -85.66 144.82 27.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 163.72 12.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.16 -26.63 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.07 7.51 7.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 64.33 46.7 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.9 m170 -132.11 119.18 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 p -83.94 141.72 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 85.4 m-85 -143.57 179.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' CYS . 23.0 m80 -93.06 108.28 19.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.498 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -37.03 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.74 -47.66 37.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 95.5 m -62.62 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpp -38.12 -55.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -49.82 -37.36 30.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' CYS . 20.5 mt -84.29 -26.24 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 47.0 t-105 -71.23 -48.02 53.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.75 -25.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.45 -31.45 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -110.62 -43.4 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -134.05 102.29 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.79 45.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -147.03 132.13 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.5 t -43.83 122.75 3.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.76 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 66.6 mt -111.69 -43.71 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLN . 18.0 p -123.58 13.15 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.49 38.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -105.0 153.52 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -43.06 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -59.99 124.28 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.0 t -133.91 100.27 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.68 100.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.69 -55.9 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -153.29 153.78 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 80' ' ' GLY . 20.9 mt -125.35 144.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' HG21 ' A' ' 79' ' ' ILE . . . 153.83 175.01 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.811 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 36.4 t -42.4 112.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.16 -34.15 70.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CG2' ' HB3' ' A' ' 56' ' ' CYS . 16.7 mt -47.05 -48.4 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -114.92 -10.6 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 67.87 40.73 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -126.23 153.31 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 23' ' ' VAL . 65.5 mm-40 -50.14 105.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.1 -47.07 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.425 ' N ' HG11 ' A' ' 25' ' ' VAL . 62.9 mmm -58.59 -34.9 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.73 168.13 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.45 148.67 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.63 168.48 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.54 -14.73 58.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -85.41 -33.83 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.58 -40.93 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -59.17 -30.69 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.65 -43.25 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.34 1.99 56.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 59.73 41.95 17.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -100.6 16.41 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ASP . 22.8 mp0 -44.06 -54.13 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' GLN . 42.8 mt-10 -32.7 -35.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -90.04 -41.45 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -57.87 87.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.67 174.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 97.5 t -98.05 125.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.35 113.12 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.469 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 22.9 m-90 -89.38 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.51 169.03 13.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.23 -25.43 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.9 5.55 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 67.8 44.72 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.0 m170 -134.72 122.33 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.0 p -91.04 142.57 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.3 m-85 -143.71 -175.64 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.407 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 26.8 m170 -94.04 111.44 23.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.78 -38.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.82 -48.12 55.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 20' ' ' ILE . 85.1 m -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 tpt -43.88 -48.36 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -55.72 -31.03 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.33 -36.16 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 11.7 t-105 -67.63 -39.96 84.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.8 m -64.72 -22.69 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -57.3 -34.15 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -112.37 -42.9 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -123.32 102.31 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -82.84 47.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -147.1 135.52 21.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.4 t -48.34 122.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.78 7.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.73 -41.61 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.4 p -126.6 14.54 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 32.66 40.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.4 mt-30 -106.51 156.03 18.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -44.43 98.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.19 122.95 14.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.2 t -134.44 104.48 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.8 t -55.26 97.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -70.21 -55.66 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -154.55 158.93 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.0 mt -142.74 144.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.96 152.85 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.88 0.371 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.7 t -43.74 107.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.56 64.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.73 -52.31 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -111.67 -9.48 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 66.69 40.01 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -124.7 148.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -47.93 107.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 4.5 p -46.41 -37.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.38 -37.3 86.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.85 165.67 12.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -69.03 149.49 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.3 168.95 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.46 -15.94 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 -86.97 -32.06 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -91.56 -25.25 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.87 -25.73 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.88 11.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -0.74 57.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 61.03 43.71 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -105.48 18.11 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' CYS . 26.6 mt-30 -50.59 -53.88 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -37.3 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.92 -37.64 13.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.17 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.7 178.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.47 116.58 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.79 112.87 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CZ3' ' O ' ' A' ' 80' ' ' GLY . 30.6 m-90 -84.7 146.39 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -111.73 169.67 13.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -62.91 -26.57 68.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.74 10.76 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 64.06 42.27 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -128.76 118.87 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 p -87.52 142.2 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 92.8 m-85 -140.94 -177.93 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' CYS . 24.4 m170 -94.57 107.19 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -72.86 -48.32 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.2 m -67.05 -59.41 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.434 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -40.71 -40.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 m -68.74 -34.93 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' CYS . 76.1 mt -79.68 -27.87 40.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 32.2 t-105 -72.6 -44.52 61.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.5 m -58.38 -19.95 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.86 -27.35 69.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -115.32 -40.68 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 79.7 m-20 -137.19 106.2 5.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.32 45.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -144.77 134.88 24.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.7 t -46.33 122.27 6.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.79 5.56 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 54.1 mt -110.6 -43.02 3.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 14.3 p -123.68 13.25 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.09 37.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.02 151.34 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.05 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 64.5 t-105 -64.02 121.01 13.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.6 t -129.12 104.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.63 99.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.56 -57.03 4.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' NH1' ' CD2' ' A' ' 45' ' ' TRP . 16.6 ptt85 -152.07 160.49 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 80' ' ' GLY . 19.5 mt -133.61 140.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.466 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 145.24 177.7 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 45.4 t -42.04 110.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.22 71.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 56' ' ' CYS . 27.4 mt -47.31 -51.32 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.2 -9.63 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 15.3 mmt180 69.14 39.3 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.95 143.12 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -42.65 108.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.11 -45.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.3 mtp -57.26 -36.55 71.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -96.28 163.91 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -67.95 151.6 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -74.86 158.09 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.76 -16.36 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.1 -38.6 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 56.1 m -82.52 -38.86 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.7 -37.34 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -97.47 -4.69 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' CYS . 55.9 t30 64.5 36.13 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -95.29 23.07 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.6 mt-30 -47.72 -46.0 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -39.05 -27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' GLN . 27.3 t70 -98.03 -40.15 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -61.04 93.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.581 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 35.6 m -106.41 -178.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 45' ' ' TRP . 68.0 t -102.05 114.15 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.27 117.72 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.6 m-90 -95.93 145.56 25.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.02 163.1 12.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.47 -24.43 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.6 7.65 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 64.3 47.95 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -135.36 120.73 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 34.2 p -89.8 140.09 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.6 m-85 -144.15 -175.91 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' CYS . 30.3 m170 -93.05 107.0 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -33.04 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -74.27 -48.26 29.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.0 m -65.47 -39.25 91.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -63.03 -43.84 97.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -67.23 -34.77 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.37 -31.55 37.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 24.5 t-105 -67.69 -46.89 70.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.75 -25.39 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -51.29 -33.9 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.97 -36.19 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 69.4 m-20 -133.62 102.25 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -81.89 36.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -137.29 133.38 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.2 t -44.54 122.33 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 6.25 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 47.9 mt -110.54 -45.27 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 16.5 p -120.88 12.15 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.19 37.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.6 mt-30 -107.64 152.18 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -38.7 106.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.498 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 68.7 t-105 -67.52 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.92 107.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.06 108.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -83.0 -54.06 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -154.46 160.24 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -137.2 148.36 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.32 19.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.4 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.896 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' ARG . 29.2 t -46.24 107.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.83 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -47.07 -45.86 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.36 -9.69 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.6 mmm180 68.09 39.11 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -121.7 152.27 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -53.85 107.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' CB ' ' A' ' 51' ' ' SER . 7.4 p -48.09 -28.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.1 mmt -72.32 -31.92 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -104.44 164.26 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 155.75 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.91 169.98 17.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.1 -14.38 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.93 -36.4 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -87.91 -25.22 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -75.0 -33.24 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.91 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -77.84 -11.7 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 69.67 39.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -115.34 30.24 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 28.0 mt-30 -54.89 -48.35 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -41.37 -29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.34 -33.22 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -66.27 83.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.492 ' CG1' ' HE2' ' A' ' 81' ' ' LYS . 33.7 m -95.58 -179.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.564 HG12 ' CZ2' ' A' ' 45' ' ' TRP . 48.8 t -105.47 127.63 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.31 111.53 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 43' ' ' VAL . 29.4 m-90 -87.67 144.28 26.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.424 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -112.58 163.41 12.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.59 -26.35 61.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.18 7.98 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 64.5 47.35 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.0 m170 -135.05 121.38 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.437 ' CB ' HG23 ' A' ' 25' ' ' VAL . 95.0 p -89.3 141.53 28.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.4 m-85 -143.33 -179.5 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 56' ' ' CYS . 37.8 m80 -93.54 107.41 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -33.7 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' HIS . 25.0 p -73.27 -48.99 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' HIS . 72.4 m -64.96 -30.55 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 tpt -71.0 -49.26 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.7 m -57.65 -32.3 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.05 -46.66 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 23.6 t-105 -58.34 -29.77 66.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 62' ' ' LYS . 35.0 m -72.83 -25.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 61' ' ' VAL . 18.4 mmmt -54.01 -35.05 61.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -116.58 -39.27 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -126.16 99.11 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.42 38.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -139.27 135.63 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.2 t -46.83 122.27 7.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.6 mt -111.01 -46.93 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.4 p -120.72 12.45 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.18 38.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.61 152.96 22.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -42.52 102.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.424 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 67.2 t-105 -62.32 124.64 21.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.75 100.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.41 106.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.23 -59.06 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.0 ptm180 -150.39 161.2 42.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 78' ' ' ARG . 41.0 mt -143.03 147.87 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.71 142.7 7.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.8 t -41.18 112.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.93 -31.91 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.2 mt -48.44 -47.15 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.02 -7.38 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' CYS . 39.2 mmt-85 65.87 40.55 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -123.9 142.59 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' N ' HG11 ' A' ' 23' ' ' VAL . 26.6 mp0 -42.98 102.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 8.0 p -42.82 -43.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.2 mtp -58.57 -37.02 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.68 172.64 7.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.36 156.77 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.94 169.74 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.74 -17.24 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -85.69 -31.43 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.0 m -89.48 -34.58 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.7 -37.82 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.89 -41.6 20.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.28 -14.58 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 70.91 39.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -115.74 27.48 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 21.0 mt-30 -53.03 -45.23 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -42.67 -33.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -39.15 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.16 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.533 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.2 m -109.07 174.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.601 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 85.2 t -101.32 113.55 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -103.62 115.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 24.0 m-90 -89.2 148.39 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.59 163.76 12.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.02 -28.05 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.32 6.91 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 64.55 51.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 49.6 m170 -138.9 126.81 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 95.7 p -94.02 138.06 32.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.2 m-85 -144.04 174.57 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.3 m80 -84.03 110.52 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -37.79 -40.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -68.58 -48.66 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.7 m -63.22 -59.73 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -39.29 -49.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m -61.4 -33.67 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' CYS . 31.5 mt -79.18 -30.75 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 38.8 t-105 -70.71 -44.3 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 62' ' ' LYS . 31.1 m -54.94 -27.32 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' N ' HG21 ' A' ' 61' ' ' VAL . 21.0 mtmt -55.47 -33.69 63.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -109.5 -45.69 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.487 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.5 m120 -127.2 111.45 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -85.43 39.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -146.57 138.41 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLN . 35.1 t -48.88 123.26 11.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.8 6.92 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 68' ' ' PRO . 9.1 mp -110.5 -46.44 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.3 p -124.28 12.69 8.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 35.2 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 70' ' ' CYS . 46.8 mt-30 -100.53 153.88 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.38 97.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 68.5 t-105 -55.3 120.71 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.86 98.51 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -44.46 112.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.9 -55.38 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -151.03 161.0 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.81 143.0 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.82 176.0 19.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 42.5 t -41.39 109.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.65 -28.24 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mt -53.77 -47.97 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.68 -11.26 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 66.65 41.14 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 24' ' ' GLN . 61.5 t -127.17 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.474 ' N ' HG12 ' A' ' 23' ' ' VAL . 3.8 mp0 -40.69 106.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' C ' ' A' ' 51' ' ' SER . 4.1 p -46.55 -35.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.88 -37.23 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.35 168.07 10.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -68.37 150.05 48.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -69.34 168.63 13.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.35 -14.62 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -86.28 -31.94 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.9 m -90.62 -36.48 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.85 -36.2 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -81.3 -7.0 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 65.13 41.57 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.22 25.24 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.7 mt-30 -54.42 -46.51 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -39.14 -38.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -84.14 -38.01 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.57 94.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.551 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 26.9 m -104.52 175.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG11 ' CZ2' ' A' ' 45' ' ' TRP . 87.2 t -102.49 119.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 14.7 p -108.37 111.75 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' HG11 ' A' ' 43' ' ' VAL . 32.4 m-90 -85.89 149.76 24.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.05 164.55 12.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.03 -32.23 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.98 -3.41 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 74.98 47.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.2 m170 -136.35 122.46 20.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 20.1 p -85.08 141.21 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 86.8 m-85 -143.9 -179.88 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.2 m80 -94.49 106.14 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.551 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 1.1 p30 -33.94 -37.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.8 p -70.94 -48.28 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' HIS . 82.4 m -64.4 -42.23 96.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.549 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.5 tpt -61.01 -53.78 53.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 p -52.04 -33.14 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.62 -31.88 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 26.5 t-105 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -65.01 -24.69 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -57.54 -41.82 81.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -100.15 -41.69 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.9 m-20 -136.73 116.09 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -92.04 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -140.5 136.89 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' GLN . 21.9 t -47.02 121.84 7.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.9 mt -108.61 -46.51 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLN . 23.6 p -125.48 19.61 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.57 41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' CYS . 31.7 mt-30 -100.23 154.3 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.05 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.549 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 52.2 t-105 -56.73 115.95 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.7 t -132.49 99.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.52 103.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.97 -57.97 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -151.29 157.57 42.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 80' ' ' GLY . 64.8 mt -132.11 148.69 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 136.23 178.74 16.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 51.3 t -48.54 113.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.47 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 mt -54.04 -45.18 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.92 -7.99 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 32.6 mmt180 65.57 40.44 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 24' ' ' GLN . 52.8 t -126.94 142.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.429 ' N ' HG13 ' A' ' 23' ' ' VAL . 6.7 mp0 -41.02 104.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 26' ' ' MET . 9.0 p -43.93 -44.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.432 ' N ' HG12 ' A' ' 25' ' ' VAL . 6.4 mmt -58.71 -35.91 73.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.42 167.34 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 149.24 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -73.19 171.21 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.67 -14.63 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -88.15 -30.7 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.57 -30.84 15.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -69.1 -26.69 65.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.68 -35.76 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -83.71 -5.39 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.01 42.79 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.2 22.35 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' CYS . 8.1 mp0 -52.97 -52.43 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -39.05 -32.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.02 -33.7 17.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.1 t -61.97 91.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.418 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.3 m -99.61 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG13 ' CE2' ' A' ' 45' ' ' TRP . 89.7 t -107.26 125.07 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG2' HG12 ' A' ' 79' ' ' ILE . 8.2 p -110.47 113.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.402 ' CE2' HG13 ' A' ' 43' ' ' VAL . 27.9 m-90 -87.96 143.5 27.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.412 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -109.78 165.21 12.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.59 -26.06 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.49 10.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.14 43.98 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.6 m170 -129.64 121.19 26.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.9 p -90.12 140.79 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.5 m-85 -143.34 -176.56 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 28.5 m170 -93.94 110.77 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -40.87 -36.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -71.97 -45.97 59.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' LEU . 87.2 m -65.71 -64.23 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' CYS . 8.1 tpp -35.71 -63.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 51.1 p -41.73 -37.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' CYS . 15.3 mt -81.25 -47.31 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.507 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 22.3 t-105 -53.47 -37.36 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 58' ' ' SER . 17.1 m -65.77 -18.88 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -67.24 -22.8 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -116.64 -43.03 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -133.15 101.74 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.42 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 28.6 t30 -78.06 47.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 77.1 mtt-85 -150.43 133.95 16.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.2 t -45.27 123.36 5.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.722 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.68 6.37 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.88 -41.77 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 10.5 p -124.76 13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.33 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 mt-30 -105.35 154.52 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.58 97.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.412 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 70.2 t-105 -59.81 126.52 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.8 t -132.74 98.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.7 t -50.07 102.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -58.48 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.52 157.34 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 44' ' ' VAL . 25.8 mt -135.47 135.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.1 179.85 33.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 37.2 t -44.29 112.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.37 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mt -45.37 -46.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -118.01 -7.33 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.6 mmt180 65.27 37.7 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -121.66 144.56 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -41.56 103.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 p -45.97 -36.53 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.22 -35.08 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.83 173.94 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.59 154.6 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.7 p -79.72 166.57 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -13.36 13.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.67 -38.21 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.5 m -84.98 -30.94 23.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.67 -38.29 86.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.13 -38.31 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.52 -6.71 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.64 36.88 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -108.06 25.93 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.9 mt-30 -52.56 -46.99 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.7 tt0 -37.57 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.5 t70 -94.87 -39.67 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -58.82 91.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.41 173.66 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 62.0 t -95.68 109.23 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.59 114.84 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 31.7 m-90 -89.33 146.35 24.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.58 167.23 12.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.66 -29.17 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -72.2 -1.09 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 75.02 45.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.9 m170 -136.77 124.67 22.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 96.9 p -91.34 141.56 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.4 m-85 -142.69 -178.37 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' CYS . 29.1 m80 -90.98 107.79 19.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -33.18 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -73.75 -48.75 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.4 m -64.57 -29.16 70.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.468 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.3 tpt -73.53 -46.88 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -65.13 -25.33 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.24 -35.97 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 14.7 t-105 -67.58 -36.71 81.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.11 -24.12 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -59.02 -43.15 91.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -96.71 -40.38 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -137.72 108.16 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -85.69 42.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -143.25 138.94 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLN . 17.1 t -49.02 123.36 12.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.81 7.57 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.2 mt -113.34 -47.0 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.5 p -119.68 11.77 12.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.99 37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' CYS . 27.4 mt-30 -104.32 155.09 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -42.73 100.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.6 t-105 -65.1 127.64 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 72.5 t -137.77 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -52.39 100.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' A' ' 78' ' ' ARG . 9.3 tt0 -74.95 -60.1 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -149.0 150.63 33.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 80' ' ' GLY . 25.8 mt -119.45 139.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' HG21 ' A' ' 79' ' ' ILE . . . 167.24 150.19 6.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 40.6 t -51.16 116.1 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.95 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.9 mt -47.27 -47.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.38 -5.84 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 13.5 mmm180 65.28 38.11 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -123.78 151.53 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -49.92 104.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 7.2 p -44.76 -47.52 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -57.07 -35.3 69.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -95.07 169.61 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 151.73 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.6 p -76.45 170.42 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.28 -14.34 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -89.8 -30.26 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.6 m -93.38 -27.03 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.8 -31.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.18 -32.5 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -91.3 2.16 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 m120 55.27 44.7 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -110.43 16.37 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.5 mp0 -44.69 -57.45 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 15.4 pt-20 -36.27 -31.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLN . 13.6 t70 -88.91 -39.03 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.4 t -62.52 82.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 33.9 m -92.1 -178.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 94.2 t -108.92 114.73 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 76' ' ' VAL . 7.2 p -102.17 113.03 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 29.8 m-90 -86.61 138.65 31.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.84 171.71 22.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' HG3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mm-40 -65.15 -28.36 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -80.7 14.44 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 63.65 38.15 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.1 m170 -123.19 121.35 35.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 77.1 p -94.3 142.7 27.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.7 m-85 -143.63 179.68 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.412 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.6 m80 -87.57 110.65 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -37.96 -37.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.72 -47.69 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LEU . 92.1 m -61.29 -63.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.458 ' HG2' ' NE1' ' A' ' 74' ' ' TRP . 8.3 tpp -35.06 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.483 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 12.3 t -52.47 -41.4 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' CYS . 54.1 mt -78.15 -31.17 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.511 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 22.7 t-105 -66.6 -36.79 83.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 58' ' ' SER . 17.4 m -68.22 -22.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -57.14 -29.85 63.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -118.02 -40.33 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 32.4 m-20 -136.23 111.63 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.08 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -141.1 131.15 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' GLN . 16.4 t -39.39 121.27 1.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 3.79 2.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.92 -46.95 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.5 p -124.03 22.27 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 31.03 42.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.8 mt-30 -103.8 161.04 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -53.87 92.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.458 ' NE1' ' HG2' ' A' ' 57' ' ' MET . 57.9 t-105 -46.9 119.5 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' CG1' ' HG3' ' A' ' 47' ' ' GLU . 89.0 t -132.91 100.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 HG12 ' CG2' ' A' ' 44' ' ' VAL . 96.2 t -51.48 105.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -79.5 -55.23 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -153.45 161.09 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.5 mt -135.71 153.28 32.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.52 176.53 17.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' ARG . 44.3 t -45.18 112.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.01 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.5 mt -47.82 -45.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -119.48 -9.37 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.7 mmm180 67.65 38.13 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG11 ' N ' ' A' ' 24' ' ' GLN . 39.8 t -122.63 145.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.477 ' N ' HG11 ' A' ' 23' ' ' VAL . 37.9 mm-40 -43.69 108.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 p -49.24 -36.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.54 -34.15 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.08 174.73 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.28 150.59 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.57 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.75 -14.46 5.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.42 -39.55 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.6 m -82.12 -29.31 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.22 -39.61 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.34 -11.2 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 69.33 41.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.11 25.63 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -54.51 -51.18 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.18 -33.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.28 -40.86 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.85 90.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.37 177.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.34 129.98 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 111.35 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 30.0 m-90 -87.55 139.55 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.39 160.36 13.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.07 -23.74 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.3 p -77.87 8.08 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.36 44.5 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 46.5 m170 -136.18 118.41 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 95.7 p -89.15 142.25 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.3 m-85 -144.48 -175.49 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -93.87 114.14 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.57 -40.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.6 p -67.81 -49.09 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.3 m -62.7 -60.66 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.6 tpt -42.05 -53.33 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -31.77 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.31 -53.11 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 19.6 t-105 -49.85 -44.89 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.1 m -55.79 -27.17 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -59.38 -40.78 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -94.32 -44.25 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.52 108.43 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.417 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 m120 -80.02 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 73.6 mtt180 -148.4 132.82 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.5 t -44.43 126.91 4.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.84 4.62 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 68' ' ' PRO . 8.6 mp -110.45 -53.71 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 72' ' ' GLN . 5.4 p -104.06 7.64 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 33.34 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' CYS . 5.3 mm100 -119.79 164.93 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -39.89 110.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -83.2 118.8 23.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -123.45 116.67 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.11 105.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.21 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -151.45 157.35 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.86 145.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -175.65 34.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.294 -0.384 . . . . 0.0 110.91 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.0 t -45.76 107.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.13 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.18 -46.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.32 -6.74 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 28.6 mmt85 64.66 39.71 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.6 151.66 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -48.49 109.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.64 -32.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mmm -72.68 -32.16 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.93 170.97 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 150.51 43.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.72 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.0 -15.33 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -88.72 -30.51 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.8 m -91.26 -31.2 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.48 -31.36 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.65 -36.93 15.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -86.2 -4.99 59.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 64.19 40.21 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -105.71 21.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.2 mp0 -51.14 -57.8 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.6 mt-10 -37.76 -33.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.66 -36.94 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.23 82.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -94.29 176.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.567 ' HB ' ' CH2' ' A' ' 45' ' ' TRP . 99.5 t -101.06 124.48 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.98 111.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.567 ' CH2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 m-90 -88.89 140.39 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.67 169.74 14.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.13 -24.22 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.7 p -79.81 10.68 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 64.44 44.08 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 54.6 m170 -134.72 122.37 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.518 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 37.5 p -94.36 143.58 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.1 m-85 -142.93 -175.04 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -92.54 112.35 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -39.17 -37.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.8 -47.98 56.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' LEU . 70.8 m -65.34 -57.94 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.501 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -40.95 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -78.24 -32.63 49.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' CYS . 56.3 mt -86.37 -10.38 54.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 12.9 t-105 -95.69 -40.89 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 57' ' ' MET . 19.8 m -56.32 -27.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 15.0 pttm -55.23 -46.98 75.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.6 pt20 -87.27 -41.37 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 10.2 m-20 -143.15 113.87 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 65' ' ' ASN . 3.7 p-10 -82.87 41.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -137.3 152.28 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' GLN . 8.8 t -63.0 124.26 83.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.73 7.24 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 85.4 mt -115.28 -43.23 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLN . 22.3 p -122.91 11.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.9 mt-30 -105.87 153.46 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -40.79 98.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.501 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 61.8 t-105 -58.51 124.93 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.91 106.3 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.32 116.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -89.71 -60.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 78' ' ' ARG . 5.2 ptp180 -152.17 157.28 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 80' ' ' GLY . 79.1 mt -136.87 134.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 79' ' ' ILE . . . 133.75 146.22 5.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.5 t -40.04 112.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mt -54.7 -50.03 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -111.87 -13.82 13.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.3 mmm180 71.46 37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 24' ' ' GLN . 58.4 t -123.21 151.23 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 23' ' ' VAL . 3.8 mm-40 -47.01 105.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' HG13 ' A' ' 43' ' ' VAL . 2.6 p -47.54 -32.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.9 mmm -70.09 -34.42 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -96.37 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.18 148.85 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -76.44 160.79 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.38 -14.81 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -86.08 -40.14 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' ASN . 69.0 m -80.76 -36.7 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -60.84 -32.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.2 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.44 -2.15 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' CYS . 12.9 t-20 65.11 36.38 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -89.15 20.5 3.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -47.7 -46.35 29.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -46.42 -28.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.49 -34.86 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.03 97.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 25.3 m -116.12 -178.74 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.45 HG13 ' CG2' ' A' ' 25' ' ' VAL . 51.1 t -99.96 127.89 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 54' ' ' ASN . 4.7 p -114.28 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -89.73 139.77 30.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.96 168.8 13.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.44 -24.22 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 9.9 p -88.79 21.52 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 1.6 p-10 49.43 39.33 16.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.455 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.5 m170 -116.71 117.28 29.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 p -81.49 138.17 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 75.8 m-85 -143.83 -178.97 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -91.34 107.98 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -41.11 -37.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.3 p -72.56 -47.53 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.7 m -64.2 -58.82 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -38.9 -59.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.5 p -45.67 -33.23 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' CYS . 26.4 mt -84.45 -50.22 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 35.0 t-105 -47.92 -46.46 31.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.6 m -56.64 -24.9 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' LEU . 7.4 mtpm? -59.23 -33.46 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 8.2 pt20 -106.68 -40.68 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 71.2 m-20 -134.65 107.14 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 1.6 m-80 -82.09 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 28.7 mtt180 -146.82 133.83 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLN . 9.5 t -46.94 122.77 7.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.75 5.77 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' HD13 ' A' ' 69' ' ' LEU . 9.5 mp -111.87 -42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.7 p -122.1 12.1 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.43 36.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.3 154.99 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLN . 62.1 t-105 -55.55 126.31 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.82 100.29 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.425 ' CG1' HD11 ' A' ' 79' ' ' ILE . 90.2 t -53.65 113.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -84.71 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -154.44 159.45 41.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 HD11 ' CG1' ' A' ' 76' ' ' VAL . 5.0 mp -134.49 145.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.73 174.64 26.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.904 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.8 t -46.48 111.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.99 65.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.5 mt -49.38 -43.2 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.45 -6.95 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.1 mmm180 64.45 38.5 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.61 154.09 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -53.8 106.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.24 -41.51 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.15 -34.8 74.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -98.78 173.83 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.82 158.85 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.98 173.08 12.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.15 -15.0 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -87.27 -30.5 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.5 m -92.48 -34.77 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.0 -33.96 77.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.21 -37.05 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.69 -4.76 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 63.24 39.7 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 26.26 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -55.03 -42.45 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -42.93 -34.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.67 -40.02 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.77 95.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.3 176.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 88.0 t -99.6 116.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.41 114.12 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -88.14 138.02 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.13 161.45 13.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.59 -22.63 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 p -79.61 7.07 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.16 46.55 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.0 m170 -135.93 121.67 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.445 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 58.0 p -86.83 140.38 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 94.5 m-85 -143.07 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -95.16 113.28 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -39.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.78 -48.0 64.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LEU . 94.6 m -62.42 -62.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 4.1 tpt -42.06 -48.32 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -55.15 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.2 mt -86.4 -53.18 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 9.0 t-105 -49.67 -41.7 43.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 m -58.13 -23.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' LEU . 89.8 mttt -56.68 -47.35 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -38.27 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 7.2 m120 -129.01 100.25 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -81.15 41.02 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -146.2 132.98 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.7 t -41.81 123.24 2.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.77 3.02 3.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -106.39 -44.07 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' GLN . 6.4 p -117.66 12.34 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.522 ' N ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER 31.38 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' CYS . 14.5 mm-40 -115.17 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.25 116.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.47 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 59.1 t-105 -88.11 119.1 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.05 117.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.84 97.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -67.08 -57.98 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -154.04 155.64 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 80' ' ' GLY . 32.8 mt -126.13 140.99 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.45 ' N ' HG23 ' A' ' 79' ' ' ILE . . . 153.49 164.81 12.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.453 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.305 -0.379 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.2 t -50.49 112.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -29.64 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mt -51.89 -44.73 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.6 -7.78 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmt180 65.95 40.1 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.62 143.19 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -45.08 106.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 6.2 p -46.97 -32.94 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mmt -66.48 -34.63 78.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.9 173.82 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.572 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . . . -74.25 145.03 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.6 p -65.6 165.11 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.33 -17.82 59.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -82.25 -30.37 30.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.7 m -89.62 -42.48 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.39 -28.65 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.43 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HB2' ' CD ' ' A' ' 37' ' ' LYS . 59.1 mt-10 -89.47 2.11 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 60.92 45.75 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' CD ' ' HB2' ' A' ' 35' ' ' GLU . 21.6 mtpt -119.1 18.56 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.572 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -57.36 -45.33 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.11 -29.45 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.3 -27.52 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -64.98 82.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG21 ' CG2' ' A' ' 79' ' ' ILE . 33.4 m -88.77 -178.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.22 121.83 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.73 111.91 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -85.06 137.72 32.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -103.17 162.69 15.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -31.53 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.05 -1.56 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 73.55 46.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.2 m170 -132.5 125.64 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -85.94 138.4 32.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.5 m-85 -143.68 177.25 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.42 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 33.0 m80 -92.16 112.85 24.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -38.27 1.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.35 -44.69 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.37 -60.7 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' TRP . 12.5 tpp -39.08 -62.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -42.9 -33.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.38 -30.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 28.1 t-105 -68.7 -31.7 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 m -71.07 -20.42 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -65.49 -25.3 67.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -115.63 -42.07 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -136.59 108.29 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 11.4 p-10 -83.96 40.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 32.2 mtt-85 -143.92 130.94 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLN . 13.1 t -42.6 124.27 2.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.673 0.749 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.523 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.2 Cg_endo -69.85 5.26 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.9 -43.11 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.2 p -119.21 9.04 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.2 34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' CYS . 15.0 mt-30 -109.27 154.96 21.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' GLN . 11.4 t0 -37.15 103.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.547 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 54.3 t-105 -74.6 126.0 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.73 126.55 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.29 103.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -76.26 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -154.08 160.35 41.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.432 ' CG2' HG21 ' A' ' 42' ' ' VAL . 25.6 mt -132.76 154.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.51 166.56 11.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 119.314 -0.374 . . . . 0.0 110.909 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.6 t -48.44 109.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -27.23 63.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mt -53.88 -46.31 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.18 -6.98 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.2 mmt180 64.23 41.06 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.89 147.58 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASP . 6.1 mm-40 -46.2 103.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 4.7 p -41.43 -48.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.6 mmm -57.95 -34.04 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLN . 89.0 m-20 -94.81 172.53 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 156.59 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.2 p -80.64 175.3 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.26 -14.39 62.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.02 -29.65 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.42 -30.58 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -68.05 -34.72 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.46 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -84.92 -4.16 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.36 40.32 11.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -108.82 21.06 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' CYS . 18.7 mt-30 -51.37 -51.06 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -39.28 -33.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -90.7 -35.21 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.9 t -62.8 89.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -103.12 179.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.9 t -104.47 122.07 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.01 111.73 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -80.54 142.34 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.95 158.61 15.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.38 -28.03 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.66 8.02 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 66.52 45.06 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -133.38 119.67 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.423 ' C ' HG22 ' A' ' 25' ' ' VAL . 71.6 p -84.57 141.43 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 96.2 m-85 -143.97 179.76 6.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' CYS . 31.5 m80 -93.42 105.91 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.4 p30 -35.19 -40.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -67.83 -48.71 65.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' LEU . 76.3 m -63.21 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' CYS . 11.2 tpp -35.49 -61.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 2.8 t -44.15 -37.49 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.4 mt -82.45 -35.92 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 24.3 t-105 -61.59 -39.64 91.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 58' ' ' SER . 13.1 m -60.37 -29.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.78 -36.02 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 14.3 pt20 -109.02 -40.77 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 67.4 m-80 -134.02 104.93 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -83.34 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -145.21 133.57 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.6 t -40.39 121.14 1.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 6.68 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 53.5 mt -110.24 -47.33 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.2 p -122.21 15.1 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.88 41.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' TRP . 28.2 mt-30 -106.97 151.83 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.11 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' GLN . 63.9 t-105 -60.35 122.43 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.24 103.21 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.85 107.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -87.94 -57.79 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' HG13 ' A' ' 79' ' ' ILE . 10.4 mmm180 -131.45 161.68 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 78' ' ' ARG . 37.9 mt -143.88 132.98 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.2 -166.83 23.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 119.243 -0.408 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.1 t -44.01 108.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.26 62.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.2 mt -56.54 -47.93 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.16 -7.81 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 24.9 mmt85 64.94 38.77 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 24' ' ' GLN . 98.1 t -122.85 153.8 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.408 ' N ' HG13 ' A' ' 23' ' ' VAL . 38.0 mm-40 -52.87 106.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.23 -36.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.62 -38.45 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.38 163.15 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.81 149.72 48.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.53 166.71 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.96 -15.17 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -86.87 -30.56 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.3 m -91.13 -34.11 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.17 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.9 -41.19 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -76.67 -14.13 59.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 72.61 40.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -117.6 30.89 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.79 -43.96 90.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -42.12 -35.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -86.97 -39.49 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 95.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -112.02 177.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -95.84 120.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.29 112.27 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.408 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 30.4 m-90 -89.98 128.4 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -98.2 162.03 20.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.99 -24.06 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.0 p -77.6 6.37 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.43 48.83 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -136.66 122.01 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -85.06 138.52 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 88.3 m-85 -143.89 -175.64 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.3 m80 -97.37 110.68 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -36.34 -39.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -69.97 -45.8 66.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' HIS . 98.6 m -63.84 -57.14 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.48 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 3.0 tpt -48.58 -46.78 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -57.37 -33.1 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -84.86 -32.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.603 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 42.1 t-105 -70.61 -45.07 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.33 -18.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -69.26 -39.03 78.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -96.08 -38.7 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.471 ' ND2' ' HE1' ' A' ' 60' ' ' TRP . 7.8 t30 -140.09 120.14 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -80.05 14.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -114.66 159.86 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLN . 43.5 t -74.26 131.17 81.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.603 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.8 Cg_endo -69.82 5.7 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.88 -45.64 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 71' ' ' GLN . 6.4 p -117.66 10.75 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.59 38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.17 176.5 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.86 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.48 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.7 t-105 -63.35 126.53 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.24 108.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.2 t -49.24 117.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.75 -54.43 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 45.5 mtm180 -137.89 161.92 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.2 mt -145.79 136.91 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.26 -177.37 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.862 0.363 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ARG . 39.9 t -43.38 113.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 -31.16 64.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.6 mt -51.44 -45.66 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.59 -8.86 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.3 mmm180 65.1 41.07 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 24' ' ' GLN . 52.2 t -126.68 146.12 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 23' ' ' VAL . 39.9 mm-40 -43.19 103.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -43.23 -47.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.3 mmt -56.06 -35.04 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.75 170.12 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.71 150.06 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -71.25 160.2 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.36 -15.46 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.24 -37.38 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.09 -37.04 22.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.77 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.79 4.44 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 57.65 39.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -92.04 14.84 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 25.6 mt-30 -44.58 -48.09 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -39.76 -34.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.67 -37.84 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.31 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.67 173.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.528 HG12 ' CZ2' ' A' ' 45' ' ' TRP . 91.0 t -94.5 118.17 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -105.55 116.53 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.528 ' CZ2' HG12 ' A' ' 43' ' ' VAL . 27.9 m-90 -90.16 142.61 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.472 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -108.75 160.7 13.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.66 -27.36 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.4 p -72.9 -2.28 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 74.8 45.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -135.64 126.21 26.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -86.82 140.1 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -143.5 -175.11 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 26.7 m170 -95.63 110.93 22.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -38.31 -39.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -69.74 -47.79 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LEU . 77.2 m -65.45 -57.04 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.489 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -41.84 -44.51 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' CYS . 74.6 mt -82.92 -23.89 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 53.4 t-105 -77.53 -42.65 34.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.78 -13.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -102.55 -39.12 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -140.7 120.29 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.25 14.88 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -115.09 166.77 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 71' ' ' GLN . 51.0 t -77.8 129.41 76.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 6.46 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 93.0 mt -114.49 -42.21 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 11.7 p -123.52 11.94 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.01 35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.5 mt-30 -105.9 154.63 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -41.72 102.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.489 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 66.5 t-105 -70.47 135.7 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -146.3 108.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.17 108.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -91.1 -57.45 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' HG13 ' A' ' 79' ' ' ILE . 3.4 mmm180 -131.43 161.61 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 78' ' ' ARG . 86.8 mt -150.26 133.81 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 81' ' ' LYS . . . 110.01 138.42 8.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' GLY . 1.3 mptm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.827 0.346 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -43.89 106.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.96 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.26 -52.68 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.41 -6.81 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.4 mmm180 64.29 39.76 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.64 156.89 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -54.47 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 7.0 p -45.06 -34.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.9 mtp -68.05 -37.01 80.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -96.2 171.71 8.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.568 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -71.81 157.02 38.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.14 162.94 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.12 -14.86 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.11 -33.96 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.8 m -88.08 -29.79 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.07 -39.1 92.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.43 64.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -82.3 -14.76 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 71.9 38.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -103.15 28.03 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.621 HE21 ' N ' ' A' ' 38' ' ' GLN . 1.4 mm-40 -44.92 -54.55 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -45.36 -33.36 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.13 -34.26 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.97 85.49 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -99.39 176.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 60.9 t -101.03 117.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 p -105.84 111.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 78' ' ' ARG . 26.5 m-90 -80.41 150.77 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.4 158.52 14.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.1 -28.77 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.375 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.79 5.18 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 69.87 43.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.4 m170 -130.89 123.29 28.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.443 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 82.9 p -91.18 140.8 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.1 m-85 -142.88 176.97 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.415 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 30.9 m80 -88.31 112.04 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -37.55 -41.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.15 -47.83 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LEU . 87.0 m -63.43 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.469 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 2.6 tpt -42.64 -44.97 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -57.88 -33.78 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.5 mt -85.47 -35.63 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 18.2 t-105 -66.54 -46.72 75.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.62 -24.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -61.31 -37.67 84.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -99.32 -43.84 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -131.68 107.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -80.58 44.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -146.41 137.3 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' GLN . 23.0 t -50.06 123.74 16.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.81 6.1 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.669 2.246 . . . . 0.0 112.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD11 ' CE1' ' A' ' 52' ' ' PHE . 9.7 mp -109.99 -44.85 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.1 p -128.42 19.68 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.5 40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -102.73 150.19 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -40.52 97.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.469 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 60.9 t-105 -58.49 119.66 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -134.46 103.39 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.6 t -48.93 109.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 78' ' ' ARG . 12.3 tt0 -90.42 -49.67 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 15.1 mtt-85 -141.53 161.7 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.9 mt -144.63 139.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.76 175.24 14.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' ARG . 50.7 t -50.79 108.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -4.86 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mt -81.09 -47.17 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -116.32 -7.5 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' CYS . 25.3 mmt180 65.48 39.62 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 24' ' ' GLN . 40.7 t -126.82 144.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.482 ' N ' HG13 ' A' ' 23' ' ' VAL . 41.8 mm-40 -41.76 104.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 2.6 p -46.61 -32.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 mmt -69.78 -34.46 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.81 171.46 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -71.64 147.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -74.69 160.9 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.1 -16.3 2.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -87.39 -30.62 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -93.12 -23.89 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -70.37 -35.6 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.74 47.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.82 -11.21 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 70.32 37.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -100.81 27.17 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.673 ' N ' HE21 ' A' ' 38' ' ' GLN . 1.1 mm-40 -45.04 -59.45 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.03 -28.27 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.88 -35.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.17 85.7 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -94.14 175.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 80.6 t -100.37 120.67 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.52 111.53 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 80' ' ' GLY . 31.2 m-90 -83.77 145.42 28.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.66 158.86 14.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.75 -25.24 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.3 p -82.08 14.5 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.48 42.91 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.5 m170 -130.92 127.93 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 53.7 p -99.96 142.2 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.6 m-85 -143.76 -178.17 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' CYS . 33.5 m80 -91.34 107.51 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.0 p30 -33.24 -38.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -71.63 -48.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' HIS . 85.0 m -64.13 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 tpt -69.27 -48.29 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 m -57.61 -28.33 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -94.12 -31.26 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 5.1 t-105 -70.75 -44.91 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.78 -27.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -57.91 -43.56 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -92.16 -43.73 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.03 107.77 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -82.17 45.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -144.75 139.16 27.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLN . 32.7 t -49.26 124.84 14.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.74 7.34 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -114.61 -47.83 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.503 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.8 p -120.07 16.55 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.03 39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' CYS . 7.7 mt-30 -108.15 154.9 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLN . 35.7 t70 -37.38 103.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.401 ' C ' HG23 ' A' ' 75' ' ' VAL . 63.7 t-105 -69.17 126.38 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 74' ' ' TRP . 67.2 t -138.65 110.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -57.11 105.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.92 -60.5 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -130.72 161.63 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -144.81 134.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' CH2' ' A' ' 45' ' ' TRP . . . 134.94 170.51 12.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.551 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -65.53 172.26 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -89.28 159.9 17.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.31 -150.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -117.29 148.74 41.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -138.83 175.71 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.51 103.42 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.7 mmm -110.36 115.39 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -68.02 164.51 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -119.39 167.03 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -123.48 -173.54 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -113.27 39.15 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.56 HG13 ' CD1' ' A' ' 11' ' ' TRP . 21.1 m -69.48 -24.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.8 109.21 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.2 m -130.92 177.37 7.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.01 53.95 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -109.72 137.33 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 22' ' ' ARG . 54.0 t -49.39 107.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.52 -28.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CG2' ' HB3' ' A' ' 56' ' ' CYS . 33.5 mt -51.88 -48.08 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -117.65 -8.84 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.7 mmm180 65.71 38.56 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 24' ' ' GLN . 40.7 t -122.66 147.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.471 ' N ' HG11 ' A' ' 23' ' ' VAL . 35.0 mm-40 -47.81 102.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 3.2 p -44.55 -30.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -67.32 -37.59 83.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.24 174.94 6.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.36 151.98 42.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -75.41 173.07 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.06 -14.24 61.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -90.72 -28.24 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.2 m -92.93 -33.09 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.6 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.56 -36.83 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.79 -8.14 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.05 43.47 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -110.58 23.17 14.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mp0 -47.07 -58.8 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 34.7 tt0 -37.1 -31.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' GLN . 7.9 t70 -88.2 -38.92 14.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -62.17 88.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.498 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.8 m -99.11 176.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.5 t -103.28 130.97 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -116.1 112.09 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -85.66 144.82 27.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 163.72 12.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.16 -26.63 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.07 7.51 7.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 64.33 46.7 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.9 m170 -132.11 119.18 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 p -83.94 141.72 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 85.4 m-85 -143.57 179.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' CYS . 23.0 m80 -93.06 108.28 19.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.498 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -37.03 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.74 -47.66 37.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 95.5 m -62.62 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.7 tpp -38.12 -55.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -49.82 -37.36 30.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' CYS . 20.5 mt -84.29 -26.24 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 47.0 t-105 -71.23 -48.02 53.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.75 -25.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.45 -31.45 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -110.62 -43.4 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -134.05 102.29 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.79 45.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -147.03 132.13 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.5 t -43.83 122.75 3.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.76 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 66.6 mt -111.69 -43.71 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLN . 18.0 p -123.58 13.15 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.49 38.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -105.0 153.52 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -43.06 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -59.99 124.28 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.0 t -133.91 100.27 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.68 100.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.69 -55.9 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -153.29 153.78 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 80' ' ' GLY . 20.9 mt -125.35 144.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' HG21 ' A' ' 79' ' ' ILE . . . 153.83 175.01 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -141.5 125.45 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -88.72 175.13 7.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.42 112.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -140.68 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -132.92 112.87 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.04 145.93 17.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmm -151.99 115.45 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.99 172.04 10.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -147.9 138.92 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -125.17 -173.36 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -113.66 44.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 11' ' ' TRP . 11.6 m -80.9 46.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -41.55 103.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASP . 60.5 m -147.07 108.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 72.2 m-20 35.71 41.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -66.5 114.67 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 36.4 t -42.4 112.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.16 -34.15 70.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CG2' ' HB3' ' A' ' 56' ' ' CYS . 16.7 mt -47.05 -48.4 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -114.92 -10.6 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 67.87 40.73 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -126.23 153.31 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 23' ' ' VAL . 65.5 mm-40 -50.14 105.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.1 -47.07 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.425 ' N ' HG11 ' A' ' 25' ' ' VAL . 62.9 mmm -58.59 -34.9 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.73 168.13 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.45 148.67 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.63 168.48 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.54 -14.73 58.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -85.41 -33.83 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.58 -40.93 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -59.17 -30.69 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.65 -43.25 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.34 1.99 56.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 59.73 41.95 17.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -100.6 16.41 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ASP . 22.8 mp0 -44.06 -54.13 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' GLN . 42.8 mt-10 -32.7 -35.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -90.04 -41.45 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -57.87 87.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.5 m -101.67 174.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 97.5 t -98.05 125.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.35 113.12 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.469 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 22.9 m-90 -89.38 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.51 169.03 13.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.23 -25.43 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.9 5.55 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 67.8 44.72 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.0 m170 -134.72 122.33 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.0 p -91.04 142.57 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.3 m-85 -143.71 -175.64 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.407 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 26.8 m170 -94.04 111.44 23.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.78 -38.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.82 -48.12 55.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.401 ' HB3' ' CG2' ' A' ' 20' ' ' ILE . 85.1 m -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 tpt -43.88 -48.36 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -55.72 -31.03 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.33 -36.16 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 11.7 t-105 -67.63 -39.96 84.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.8 m -64.72 -22.69 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -57.3 -34.15 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -112.37 -42.9 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -123.32 102.31 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -82.84 47.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -147.1 135.52 21.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.4 t -48.34 122.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.78 7.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -112.73 -41.61 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.4 p -126.6 14.54 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 32.66 40.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.4 mt-30 -106.51 156.03 18.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -44.43 98.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.19 122.95 14.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.2 t -134.44 104.48 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.8 t -55.26 97.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -70.21 -55.66 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -154.55 158.93 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.0 mt -142.74 144.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.96 152.85 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -172.74 150.57 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -79.9 115.6 19.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.74 -168.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -152.6 168.34 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -109.3 143.82 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.01 -151.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.0 mtm -81.64 128.13 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -66.39 94.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -156.33 152.62 27.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' CD1' ' CG1' ' A' ' 13' ' ' VAL . 1.2 p90 -81.62 -172.9 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -121.04 54.53 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.485 ' CG1' ' CD1' ' A' ' 11' ' ' TRP . 25.7 m -75.78 53.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -125.13 102.53 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 m -114.64 35.62 4.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -131.07 59.01 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -114.33 120.71 41.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.7 t -43.74 107.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.56 64.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 mt -54.73 -52.31 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -111.67 -9.48 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 66.69 40.01 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -124.7 148.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -47.93 107.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 4.5 p -46.41 -37.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.38 -37.3 86.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.85 165.67 12.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -69.03 149.49 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.3 168.95 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.46 -15.94 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 -86.97 -32.06 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -91.56 -25.25 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.87 -25.73 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.88 11.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -0.74 57.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 61.03 43.71 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -105.48 18.11 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' CYS . 26.6 mt-30 -50.59 -53.88 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -37.3 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.92 -37.64 13.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.17 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -109.7 178.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 63.9 t -103.47 116.58 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.79 112.87 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CZ3' ' O ' ' A' ' 80' ' ' GLY . 30.6 m-90 -84.7 146.39 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.443 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -111.73 169.67 13.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -62.91 -26.57 68.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.74 10.76 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 64.06 42.27 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -128.76 118.87 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 p -87.52 142.2 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 92.8 m-85 -140.94 -177.93 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' CYS . 24.4 m170 -94.57 107.19 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -72.86 -48.32 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.2 m -67.05 -59.41 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.434 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -40.71 -40.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 m -68.74 -34.93 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' CYS . 76.1 mt -79.68 -27.87 40.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 32.2 t-105 -72.6 -44.52 61.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.5 m -58.38 -19.95 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.86 -27.35 69.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -115.32 -40.68 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 79.7 m-20 -137.19 106.2 5.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.32 45.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -144.77 134.88 24.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.7 t -46.33 122.27 6.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.79 5.56 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 54.1 mt -110.6 -43.02 3.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 14.3 p -123.68 13.25 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.09 37.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.02 151.34 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.05 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.443 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 64.5 t-105 -64.02 121.01 13.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.6 t -129.12 104.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.63 99.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.56 -57.03 4.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' NH1' ' CD2' ' A' ' 45' ' ' TRP . 16.6 ptt85 -152.07 160.49 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 80' ' ' GLY . 19.5 mt -133.61 140.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.466 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 145.24 177.7 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -152.13 163.8 38.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -129.62 169.46 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.92 -122.59 2.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -135.02 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 p -167.16 150.21 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.75 -170.41 27.55 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.63 119.74 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -83.53 143.24 30.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 p -87.9 118.99 27.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.565 ' CD1' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.81 -173.29 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.03 43.6 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 11' ' ' TRP . 5.4 m -80.36 40.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -74.39 167.82 20.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -81.51 38.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -125.84 59.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -142.05 111.92 6.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 45.4 t -42.04 110.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.22 71.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 56' ' ' CYS . 27.4 mt -47.31 -51.32 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.2 -9.63 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 15.3 mmt180 69.14 39.3 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.95 143.12 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -42.65 108.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.11 -45.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.3 mtp -57.26 -36.55 71.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -96.28 163.91 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -67.95 151.6 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -74.86 158.09 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.4 mt -54.76 -16.36 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.1 -38.6 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 56.1 m -82.52 -38.86 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -61.7 -37.34 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -97.47 -4.69 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' CYS . 55.9 t30 64.5 36.13 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -95.29 23.07 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 40' ' ' ASP . 18.6 mt-30 -47.72 -46.0 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -39.05 -27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' GLN . 27.3 t70 -98.03 -40.15 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -61.04 93.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.581 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 35.6 m -106.41 -178.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.474 HG13 ' CE2' ' A' ' 45' ' ' TRP . 68.0 t -102.05 114.15 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.27 117.72 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.6 m-90 -95.93 145.56 25.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.02 163.1 12.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.47 -24.43 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.6 7.65 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 64.3 47.95 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -135.36 120.73 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.483 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 34.2 p -89.8 140.09 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.6 m-85 -144.15 -175.91 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' CYS . 30.3 m170 -93.05 107.0 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -33.04 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -74.27 -48.26 29.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.0 m -65.47 -39.25 91.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -63.03 -43.84 97.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -67.23 -34.77 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.4 mt -80.37 -31.55 37.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 24.5 t-105 -67.69 -46.89 70.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.75 -25.39 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -51.29 -33.9 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.97 -36.19 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 69.4 m-20 -133.62 102.25 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -81.89 36.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -137.29 133.38 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.2 t -44.54 122.33 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 6.25 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 47.9 mt -110.54 -45.27 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 16.5 p -120.88 12.15 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.19 37.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.6 mt-30 -107.64 152.18 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -38.7 106.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.498 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 68.7 t-105 -67.52 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.92 107.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.06 108.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -83.0 -54.06 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -154.46 160.24 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -137.2 148.36 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.32 19.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.4 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.896 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -173.92 107.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -116.42 154.09 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.32 170.05 36.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -161.1 118.53 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -148.32 157.7 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.68 120.44 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ttp -112.56 83.33 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -60.46 151.11 29.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 t -80.84 137.48 36.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CD1' HG12 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -98.45 -173.36 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 12' ' ' ASP . 2.7 p-10 -112.8 44.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG12 ' CD1' ' A' ' 11' ' ' TRP . 19.0 m -79.4 42.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.79 151.87 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -144.52 139.11 28.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.99 33.41 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -75.91 127.31 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' ARG . 29.2 t -46.24 107.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.83 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.1 mt -47.07 -45.86 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.36 -9.69 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.6 mmm180 68.09 39.11 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -121.7 152.27 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -53.85 107.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG23 ' CB ' ' A' ' 51' ' ' SER . 7.4 p -48.09 -28.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.1 mmt -72.32 -31.92 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -104.44 164.26 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.35 155.75 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.91 169.98 17.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.1 -14.38 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -88.93 -36.4 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -87.91 -25.22 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -75.0 -33.24 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.91 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -77.84 -11.7 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 69.67 39.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -115.34 30.24 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 28.0 mt-30 -54.89 -48.35 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -41.37 -29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.34 -33.22 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -66.27 83.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.492 ' CG1' ' HE2' ' A' ' 81' ' ' LYS . 33.7 m -95.58 -179.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.564 HG12 ' CZ2' ' A' ' 45' ' ' TRP . 48.8 t -105.47 127.63 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.31 111.53 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.564 ' CZ2' HG12 ' A' ' 43' ' ' VAL . 29.4 m-90 -87.67 144.28 26.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.424 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -112.58 163.41 12.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.59 -26.35 61.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.18 7.98 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 64.5 47.35 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.0 m170 -135.05 121.38 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.437 ' CB ' HG23 ' A' ' 25' ' ' VAL . 95.0 p -89.3 141.53 28.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.4 m-85 -143.33 -179.5 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 56' ' ' CYS . 37.8 m80 -93.54 107.41 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -33.7 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' HIS . 25.0 p -73.27 -48.99 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' HIS . 72.4 m -64.96 -30.55 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 tpt -71.0 -49.26 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.7 m -57.65 -32.3 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.05 -46.66 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 23.6 t-105 -58.34 -29.77 66.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 62' ' ' LYS . 35.0 m -72.83 -25.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 61' ' ' VAL . 18.4 mmmt -54.01 -35.05 61.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -116.58 -39.27 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -126.16 99.11 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.42 38.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -139.27 135.63 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.2 t -46.83 122.27 7.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.6 mt -111.01 -46.93 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.4 p -120.72 12.45 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.18 38.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.61 152.96 22.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -42.52 102.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.424 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 67.2 t-105 -62.32 124.64 21.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.75 100.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.41 106.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.23 -59.06 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.0 ptm180 -150.39 161.2 42.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 78' ' ' ARG . 41.0 mt -143.03 147.87 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.71 142.7 7.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HE2' ' CG1' ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -172.77 123.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -165.47 177.5 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -164.72 32.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -159.35 165.47 33.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -160.39 155.7 24.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 -175.54 47.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ttt -131.6 114.98 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.74 138.27 41.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.7 p -142.93 144.5 32.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -91.73 -173.72 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.1 40.73 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 11' ' ' TRP . 16.6 m -77.19 -25.56 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -67.16 142.14 57.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.49 44.53 2.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -130.03 43.18 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.8 t -41.18 112.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.93 -31.91 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.2 mt -48.44 -47.15 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.098 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.02 -7.38 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' CYS . 39.2 mmt-85 65.87 40.55 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG11 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -123.9 142.59 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' N ' HG11 ' A' ' 23' ' ' VAL . 26.6 mp0 -42.98 102.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.44 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 8.0 p -42.82 -43.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.2 mtp -58.57 -37.02 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.68 172.64 7.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.36 156.77 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.94 169.74 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.74 -17.24 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -85.69 -31.43 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.0 m -89.48 -34.58 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.7 -37.82 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.89 -41.6 20.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.28 -14.58 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 70.91 39.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -115.74 27.48 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 21.0 mt-30 -53.03 -45.23 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -42.67 -33.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.11 -39.15 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.16 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.533 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.2 m -109.07 174.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.601 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 85.2 t -101.32 113.55 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.6 p -103.62 115.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 24.0 m-90 -89.2 148.39 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.59 163.76 12.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.02 -28.05 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.32 6.91 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 64.55 51.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 49.6 m170 -138.9 126.81 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 95.7 p -94.02 138.06 32.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.2 m-85 -144.04 174.57 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.3 m80 -84.03 110.52 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.533 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -37.79 -40.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -68.58 -48.66 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.7 m -63.22 -59.73 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -39.29 -49.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.5 m -61.4 -33.67 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' CYS . 31.5 mt -79.18 -30.75 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 38.8 t-105 -70.71 -44.3 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 62' ' ' LYS . 31.1 m -54.94 -27.32 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' N ' HG21 ' A' ' 61' ' ' VAL . 21.0 mtmt -55.47 -33.69 63.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -109.5 -45.69 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.487 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.5 m120 -127.2 111.45 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -85.43 39.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -146.57 138.41 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLN . 35.1 t -48.88 123.26 11.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.8 6.92 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' C ' ' A' ' 68' ' ' PRO . 9.1 mp -110.5 -46.44 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.3 p -124.28 12.69 8.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 35.2 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 70' ' ' CYS . 46.8 mt-30 -100.53 153.88 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -46.38 97.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 68.5 t-105 -55.3 120.71 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.9 t -134.86 98.51 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -44.46 112.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.9 -55.38 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -151.03 161.0 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.81 143.0 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.82 176.0 19.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.8 m -37.33 -51.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -144.01 150.4 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.29 -156.16 6.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -121.4 99.26 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -138.12 143.47 40.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.3 150.47 25.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ptp -65.45 140.61 58.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -42.25 -59.02 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -55.48 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CD1' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -108.51 -173.65 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.82 40.17 2.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.545 HG12 ' CD1' ' A' ' 11' ' ' TRP . 12.8 m -79.74 49.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -86.99 21.7 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.2 p -78.34 127.32 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 35.42 37.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m -73.06 117.37 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 42.5 t -41.39 109.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.65 -28.24 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mt -53.77 -47.97 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.68 -11.26 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 66.65 41.14 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 24' ' ' GLN . 61.5 t -127.17 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.474 ' N ' HG12 ' A' ' 23' ' ' VAL . 3.8 mp0 -40.69 106.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' C ' ' A' ' 51' ' ' SER . 4.1 p -46.55 -35.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.88 -37.23 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.35 168.07 10.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -68.37 150.05 48.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -69.34 168.63 13.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.35 -14.62 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -86.28 -31.94 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.9 m -90.62 -36.48 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.85 -36.2 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -81.3 -7.0 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 65.13 41.57 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.22 25.24 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.7 mt-30 -54.42 -46.51 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -39.14 -38.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -84.14 -38.01 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.57 94.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.551 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 26.9 m -104.52 175.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG11 ' CZ2' ' A' ' 45' ' ' TRP . 87.2 t -102.49 119.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 14.7 p -108.37 111.75 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.572 ' CZ2' HG11 ' A' ' 43' ' ' VAL . 32.4 m-90 -85.89 149.76 24.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.05 164.55 12.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.03 -32.23 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.98 -3.41 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 74.98 47.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.2 m170 -136.35 122.46 20.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 20.1 p -85.08 141.21 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 86.8 m-85 -143.9 -179.88 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.2 m80 -94.49 106.14 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.551 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 1.1 p30 -33.94 -37.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.8 p -70.94 -48.28 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' HIS . 82.4 m -64.4 -42.23 96.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.549 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.5 tpt -61.01 -53.78 53.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 p -52.04 -33.14 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.62 -31.88 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 26.5 t-105 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -65.01 -24.69 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -57.54 -41.82 81.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -100.15 -41.69 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.9 m-20 -136.73 116.09 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -92.04 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -140.5 136.89 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' GLN . 21.9 t -47.02 121.84 7.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.9 mt -108.61 -46.51 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLN . 23.6 p -125.48 19.61 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.57 41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' CYS . 31.7 mt-30 -100.23 154.3 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.05 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.549 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 52.2 t-105 -56.73 115.95 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.7 t -132.49 99.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.52 103.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.97 -57.97 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -151.29 157.57 42.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 80' ' ' GLY . 64.8 mt -132.11 148.69 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 136.23 178.74 16.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -124.72 83.92 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -148.16 113.77 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 107.47 2.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -92.38 140.85 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -168.42 163.74 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -146.51 8.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mtm -103.84 104.2 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -83.31 148.07 27.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' TRP . 23.4 p -92.35 126.83 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CD1' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.08 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -103.69 -1.62 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG23 ' CD1' ' A' ' 11' ' ' TRP . 6.5 m -85.39 47.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -50.09 134.99 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -131.39 33.71 4.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.24 53.12 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m -142.0 118.31 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 51.3 t -48.54 113.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.47 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.8 mt -54.04 -45.18 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.92 -7.99 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 32.6 mmt180 65.57 40.44 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 24' ' ' GLN . 52.8 t -126.94 142.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.429 ' N ' HG13 ' A' ' 23' ' ' VAL . 6.7 mp0 -41.02 104.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 26' ' ' MET . 9.0 p -43.93 -44.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.432 ' N ' HG12 ' A' ' 25' ' ' VAL . 6.4 mmt -58.71 -35.91 73.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.42 167.34 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 149.24 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -73.19 171.21 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.67 -14.63 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -88.15 -30.7 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.57 -30.84 15.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -69.1 -26.69 65.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.68 -35.76 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -83.71 -5.39 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.01 42.79 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.2 22.35 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' CYS . 8.1 mp0 -52.97 -52.43 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -39.05 -32.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.02 -33.7 17.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.1 t -61.97 91.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.418 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.3 m -99.61 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG13 ' CE2' ' A' ' 45' ' ' TRP . 89.7 t -107.26 125.07 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG2' HG12 ' A' ' 79' ' ' ILE . 8.2 p -110.47 113.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.402 ' CE2' HG13 ' A' ' 43' ' ' VAL . 27.9 m-90 -87.96 143.5 27.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -109.78 165.21 12.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.59 -26.06 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.49 10.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.14 43.98 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.6 m170 -129.64 121.19 26.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.9 p -90.12 140.79 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.5 m-85 -143.34 -176.56 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.416 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 28.5 m170 -93.94 110.77 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -40.87 -36.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -71.97 -45.97 59.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' LEU . 87.2 m -65.71 -64.23 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' CYS . 8.1 tpp -35.71 -63.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 51.1 p -41.73 -37.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' CYS . 15.3 mt -81.25 -47.31 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.507 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 22.3 t-105 -53.47 -37.36 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 58' ' ' SER . 17.1 m -65.77 -18.88 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -67.24 -22.8 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -116.64 -43.03 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -133.15 101.74 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.42 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 28.6 t30 -78.06 47.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 77.1 mtt-85 -150.43 133.95 16.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.2 t -45.27 123.36 5.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.722 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.68 6.37 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -112.88 -41.77 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 10.5 p -124.76 13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.33 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 mt-30 -105.35 154.52 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -43.58 97.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.412 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 70.2 t-105 -59.81 126.52 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 92.8 t -132.74 98.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.7 t -50.07 102.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -58.48 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.52 157.34 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.448 HG12 ' CG2' ' A' ' 44' ' ' VAL . 25.8 mt -135.47 135.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.1 179.85 33.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -158.98 149.53 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -116.91 172.95 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -178.6 -44.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 71.4 m -35.16 111.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.811 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -122.13 105.06 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -165.3 -76.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.463 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' TRP . 4.2 ptp 32.67 49.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' MET . 11.6 m95 -33.05 132.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -87.81 131.36 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -89.93 -173.48 3.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -113.69 43.56 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG11 ' CD1' ' A' ' 11' ' ' TRP . 11.2 m -80.61 43.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -92.05 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -71.89 -174.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' THR . 8.6 t0 -80.17 36.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' ASP . 37.0 m -33.39 115.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 37.2 t -44.29 112.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.37 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.7 mt -45.37 -46.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -118.01 -7.33 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.6 mmt180 65.27 37.7 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 65.2 t -121.66 144.56 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -41.56 103.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 p -45.97 -36.53 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.22 -35.08 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.83 173.94 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.59 154.6 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.7 p -79.72 166.57 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -13.36 13.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.67 -38.21 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.5 m -84.98 -30.94 23.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -66.67 -38.29 86.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.13 -38.31 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.52 -6.71 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.64 36.88 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -108.06 25.93 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.9 mt-30 -52.56 -46.99 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.7 tt0 -37.57 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.5 t70 -94.87 -39.67 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -58.82 91.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.41 173.66 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 62.0 t -95.68 109.23 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.6 p -98.59 114.84 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 31.7 m-90 -89.33 146.35 24.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.58 167.23 12.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.66 -29.17 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -72.2 -1.09 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 75.02 45.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.419 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.9 m170 -136.77 124.67 22.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.428 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 96.9 p -91.34 141.56 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.4 m-85 -142.69 -178.37 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' CYS . 29.1 m80 -90.98 107.79 19.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -33.18 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -73.75 -48.75 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.4 m -64.57 -29.16 70.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.468 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.3 tpt -73.53 -46.88 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -65.13 -25.33 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.24 -35.97 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 14.7 t-105 -67.58 -36.71 81.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.0 m -62.11 -24.12 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -59.02 -43.15 91.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -96.71 -40.38 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -137.72 108.16 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -85.69 42.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -143.25 138.94 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLN . 17.1 t -49.02 123.36 12.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.81 7.57 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.2 mt -113.34 -47.0 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.5 p -119.68 11.77 12.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.99 37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' CYS . 27.4 mt-30 -104.32 155.09 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -42.73 100.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.6 t-105 -65.1 127.64 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 72.5 t -137.77 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -52.39 100.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' A' ' 78' ' ' ARG . 9.3 tt0 -74.95 -60.1 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -149.0 150.63 33.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 80' ' ' GLY . 25.8 mt -119.45 139.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' HG21 ' A' ' 79' ' ' ILE . . . 167.24 150.19 6.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -95.72 95.21 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.805 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -95.76 102.18 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.34 113.94 0.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -101.13 41.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -148.46 112.86 5.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.32 -76.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.45 92.92 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.723 0.297 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -65.53 139.58 58.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -93.16 42.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CE2' HG12 ' A' ' 13' ' ' VAL . 1.5 t-105 -64.65 113.56 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' VAL . 62.5 m-20 -119.37 43.67 2.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 11' ' ' TRP . 26.7 m 34.46 42.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.23 22.81 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 t -127.31 123.45 36.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 17' ' ' THR . 9.1 t70 -123.43 47.06 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 16' ' ' ASP . 16.6 m -34.16 120.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 40.6 t -51.16 116.1 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.95 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.9 mt -47.27 -47.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.38 -5.84 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 13.5 mmm180 65.28 38.11 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -123.78 151.53 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -49.92 104.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 7.2 p -44.76 -47.52 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtp -57.07 -35.3 69.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -95.07 169.61 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.87 151.73 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.6 p -76.45 170.42 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.28 -14.34 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -89.8 -30.26 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.6 m -93.38 -27.03 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -70.8 -31.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.18 -32.5 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -91.3 2.16 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 m120 55.27 44.7 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -110.43 16.37 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.5 mp0 -44.69 -57.45 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 15.4 pt-20 -36.27 -31.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLN . 13.6 t70 -88.91 -39.03 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.4 t -62.52 82.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 33.9 m -92.1 -178.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 94.2 t -108.92 114.73 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG2' HG12 ' A' ' 76' ' ' VAL . 7.2 p -102.17 113.03 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 29.8 m-90 -86.61 138.65 31.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.84 171.71 22.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' HG3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mm-40 -65.15 -28.36 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -80.7 14.44 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 63.65 38.15 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.1 m170 -123.19 121.35 35.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.425 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 77.1 p -94.3 142.7 27.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.7 m-85 -143.63 179.68 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.412 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.6 m80 -87.57 110.65 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -37.96 -37.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.72 -47.69 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' LEU . 92.1 m -61.29 -63.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.458 ' HG2' ' NE1' ' A' ' 74' ' ' TRP . 8.3 tpp -35.06 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.483 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 12.3 t -52.47 -41.4 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' CYS . 54.1 mt -78.15 -31.17 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.511 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 22.7 t-105 -66.6 -36.79 83.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 58' ' ' SER . 17.4 m -68.22 -22.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -57.14 -29.85 63.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -118.02 -40.33 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 32.4 m-20 -136.23 111.63 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.08 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -141.1 131.15 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' GLN . 16.4 t -39.39 121.27 1.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 3.79 2.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.92 -46.95 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.5 p -124.03 22.27 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 31.03 42.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.8 mt-30 -103.8 161.04 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -53.87 92.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.458 ' NE1' ' HG2' ' A' ' 57' ' ' MET . 57.9 t-105 -46.9 119.5 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.428 ' CG1' ' HG3' ' A' ' 47' ' ' GLU . 89.0 t -132.91 100.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 HG12 ' CG2' ' A' ' 44' ' ' VAL . 96.2 t -51.48 105.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -79.5 -55.23 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -153.45 161.09 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.5 mt -135.71 153.28 32.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 143.52 176.53 17.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t 41.98 42.65 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -112.47 125.35 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.21 127.43 2.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -145.3 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -171.99 147.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 132.22 3.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ttp -107.22 124.01 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' SER . 45.7 m95 -98.82 169.05 9.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TRP . 40.0 t -37.31 147.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CD1' HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -67.28 -173.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -114.02 40.82 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 11' ' ' TRP . 21.7 m -73.15 1.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.38 6.46 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.1 m -103.58 -175.69 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.12 29.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 m -45.82 117.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' ARG . 44.3 t -45.18 112.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.01 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.5 mt -47.82 -45.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -119.48 -9.37 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.7 mmm180 67.65 38.13 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG11 ' N ' ' A' ' 24' ' ' GLN . 39.8 t -122.63 145.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.477 ' N ' HG11 ' A' ' 23' ' ' VAL . 37.9 mm-40 -43.69 108.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 p -49.24 -36.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.54 -34.15 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.08 174.73 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.28 150.59 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.57 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.75 -14.46 5.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.42 -39.55 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.6 m -82.12 -29.31 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.22 -39.61 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.34 -11.2 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 69.33 41.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.11 25.63 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -54.51 -51.18 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.18 -33.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -90.28 -40.86 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.85 90.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.37 177.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.5 t -102.34 129.98 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.48 111.35 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 30.0 m-90 -87.55 139.55 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.39 160.36 13.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.07 -23.74 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.3 p -77.87 8.08 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.36 44.5 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 46.5 m170 -136.18 118.41 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 95.7 p -89.15 142.25 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.3 m-85 -144.48 -175.49 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -93.87 114.14 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.57 -40.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.6 p -67.81 -49.09 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 76.3 m -62.7 -60.66 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.6 tpt -42.05 -53.33 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -31.77 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.31 -53.11 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 19.6 t-105 -49.85 -44.89 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.1 m -55.79 -27.17 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -59.38 -40.78 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -94.32 -44.25 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.52 108.43 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.417 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 m120 -80.02 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 73.6 mtt180 -148.4 132.82 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.5 t -44.43 126.91 4.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.84 4.62 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 68' ' ' PRO . 8.6 mp -110.45 -53.71 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 72' ' ' GLN . 5.4 p -104.06 7.64 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 33.34 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' CYS . 5.3 mm100 -119.79 164.93 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -39.89 110.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -83.2 118.8 23.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -123.45 116.67 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.11 105.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.21 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -151.45 157.35 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.4 mt -127.86 145.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -175.65 34.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.294 -0.384 . . . . 0.0 110.91 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -53.08 -45.69 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -123.65 143.68 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.12 -51.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -147.71 123.78 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.06 175.09 43.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.9 mtp -147.29 117.15 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -59.11 124.96 21.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -146.04 123.91 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.487 ' CD1' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -115.01 -173.72 2.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.13 36.57 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG21 ' CD1' ' A' ' 11' ' ' TRP . 4.0 m -82.34 36.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -90.11 155.93 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 p -154.57 161.21 41.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 50.46 44.69 26.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 m -91.7 127.4 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.0 t -45.76 107.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.13 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.18 -46.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.32 -6.74 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 28.6 mmt85 64.66 39.71 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.6 151.66 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -48.49 109.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.64 -32.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mmm -72.68 -32.16 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.93 170.97 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 150.51 43.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.72 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.0 -15.33 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -88.72 -30.51 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.8 m -91.26 -31.2 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.48 -31.36 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.65 -36.93 15.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -86.2 -4.99 59.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 64.19 40.21 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -105.71 21.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.2 mp0 -51.14 -57.8 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.6 mt-10 -37.76 -33.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.66 -36.94 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.23 82.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -94.29 176.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.567 ' HB ' ' CH2' ' A' ' 45' ' ' TRP . 99.5 t -101.06 124.48 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.98 111.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.567 ' CH2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 m-90 -88.89 140.39 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.67 169.74 14.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.13 -24.22 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.7 p -79.81 10.68 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 64.44 44.08 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 54.6 m170 -134.72 122.37 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.518 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 37.5 p -94.36 143.58 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.1 m-85 -142.93 -175.04 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -92.54 112.35 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -39.17 -37.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.8 -47.98 56.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' LEU . 70.8 m -65.34 -57.94 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.501 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -40.95 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -78.24 -32.63 49.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' CYS . 56.3 mt -86.37 -10.38 54.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 12.9 t-105 -95.69 -40.89 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' CG1' ' SD ' ' A' ' 57' ' ' MET . 19.8 m -56.32 -27.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 15.0 pttm -55.23 -46.98 75.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.6 pt20 -87.27 -41.37 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 10.2 m-20 -143.15 113.87 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 65' ' ' ASN . 3.7 p-10 -82.87 41.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -137.3 152.28 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' GLN . 8.8 t -63.0 124.26 83.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.73 7.24 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 85.4 mt -115.28 -43.23 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLN . 22.3 p -122.91 11.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.9 mt-30 -105.87 153.46 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -40.79 98.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.501 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 61.8 t-105 -58.51 124.93 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.4 t -134.91 106.3 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.32 116.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -89.71 -60.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 78' ' ' ARG . 5.2 ptp180 -152.17 157.28 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 80' ' ' GLY . 79.1 mt -136.87 134.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' N ' HG23 ' A' ' 79' ' ' ILE . . . 133.75 146.22 5.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -85.02 46.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -103.04 -58.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.61 -176.83 2.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -106.24 42.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.818 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -99.81 -56.12 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.45 -175.73 43.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptm -124.05 126.6 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.311 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -62.06 140.47 58.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 m -116.91 95.39 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.564 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -91.11 -173.43 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -115.69 29.01 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 11' ' ' TRP . 11.6 m -59.11 -21.8 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -71.29 141.91 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 m -97.96 93.02 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -133.71 44.95 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m -145.06 110.03 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.5 t -40.04 112.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mt -54.7 -50.03 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -111.87 -13.82 13.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.3 mmm180 71.46 37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 24' ' ' GLN . 58.4 t -123.21 151.23 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 23' ' ' VAL . 3.8 mm-40 -47.01 105.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' HG13 ' A' ' 43' ' ' VAL . 2.6 p -47.54 -32.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.9 mmm -70.09 -34.42 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -96.37 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.18 148.85 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -76.44 160.79 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.38 -14.81 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -86.08 -40.14 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' ASN . 69.0 m -80.76 -36.7 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -60.84 -32.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.2 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.44 -2.15 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' CYS . 12.9 t-20 65.11 36.38 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -89.15 20.5 3.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -47.7 -46.35 29.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -46.42 -28.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.49 -34.86 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.03 97.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 25.3 m -116.12 -178.74 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.45 HG13 ' CG2' ' A' ' 25' ' ' VAL . 51.1 t -99.96 127.89 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 54' ' ' ASN . 4.7 p -114.28 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -89.73 139.77 30.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.96 168.8 13.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.44 -24.22 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 9.9 p -88.79 21.52 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 1.6 p-10 49.43 39.33 16.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.455 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.5 m170 -116.71 117.28 29.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 p -81.49 138.17 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 75.8 m-85 -143.83 -178.97 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -91.34 107.98 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -41.11 -37.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.3 p -72.56 -47.53 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.7 m -64.2 -58.82 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 tpp -38.9 -59.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.5 p -45.67 -33.23 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' CYS . 26.4 mt -84.45 -50.22 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.487 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 35.0 t-105 -47.92 -46.46 31.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.6 m -56.64 -24.9 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 59' ' ' LEU . 7.4 mtpm? -59.23 -33.46 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 8.2 pt20 -106.68 -40.68 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 71.2 m-20 -134.65 107.14 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 1.6 m-80 -82.09 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 28.7 mtt180 -146.82 133.83 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLN . 9.5 t -46.94 122.77 7.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.487 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.75 5.77 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' N ' HD13 ' A' ' 69' ' ' LEU . 9.5 mp -111.87 -42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.7 p -122.1 12.1 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.43 36.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.3 154.99 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLN . 62.1 t-105 -55.55 126.31 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.82 100.29 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.425 ' CG1' HD11 ' A' ' 79' ' ' ILE . 90.2 t -53.65 113.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -84.71 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -154.44 159.45 41.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 HD11 ' CG1' ' A' ' 76' ' ' VAL . 5.0 mp -134.49 145.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.73 174.64 26.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.904 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -149.7 153.61 37.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 t -174.57 147.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.3 138.31 3.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -134.84 153.92 51.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -124.36 176.25 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.26 146.2 4.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -141.64 166.76 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -116.44 158.81 22.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -115.68 159.11 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.601 ' CZ3' ' CG2' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -64.45 120.88 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -131.31 37.17 3.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.601 ' CG2' ' CZ3' ' A' ' 11' ' ' TRP . 16.1 m -129.33 44.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mm-40 -33.52 129.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 m -148.33 -175.52 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.83 30.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -62.67 123.72 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.8 t -46.48 111.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.99 65.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.5 mt -49.38 -43.2 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.45 -6.95 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.1 mmm180 64.45 38.5 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.61 154.09 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -53.8 106.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 p -46.24 -41.51 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.15 -34.8 74.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -98.78 173.83 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.82 158.85 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.98 173.08 12.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.15 -15.0 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -87.27 -30.5 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.5 m -92.48 -34.77 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.0 -33.96 77.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.21 -37.05 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.69 -4.76 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 63.24 39.7 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 26.26 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -55.03 -42.45 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -42.93 -34.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.67 -40.02 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.77 95.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.6 m -110.3 176.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 88.0 t -99.6 116.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.41 114.12 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -88.14 138.02 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.13 161.45 13.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.59 -22.63 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 p -79.61 7.07 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.16 46.55 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.0 m170 -135.93 121.67 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.445 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 58.0 p -86.83 140.38 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 94.5 m-85 -143.07 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -95.16 113.28 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -40.79 -39.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.78 -48.0 64.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 59' ' ' LEU . 94.6 m -62.42 -62.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.47 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 4.1 tpt -42.06 -48.32 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 55.7 m -55.15 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.2 mt -86.4 -53.18 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 9.0 t-105 -49.67 -41.7 43.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 m -58.13 -23.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 59' ' ' LEU . 89.8 mttt -56.68 -47.35 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -38.27 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 7.2 m120 -129.01 100.25 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -81.15 41.02 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -146.2 132.98 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.7 t -41.81 123.24 2.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.77 3.02 3.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -106.39 -44.07 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' GLN . 6.4 p -117.66 12.34 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.522 HE21 ' N ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER 31.38 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' CYS . 14.5 mm-40 -115.17 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -40.25 116.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.47 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 59.1 t-105 -88.11 119.1 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 89.3 t -127.05 117.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.84 97.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -67.08 -57.98 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -154.04 155.64 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 80' ' ' GLY . 32.8 mt -126.13 140.99 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' N ' HG23 ' A' ' 79' ' ' ILE . . . 153.49 164.81 12.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.453 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.305 -0.379 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -134.01 169.76 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -125.36 150.05 47.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.28 -166.22 18.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -148.97 133.71 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -96.76 112.78 24.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.33 157.19 17.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mmt -134.26 145.71 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -89.49 164.92 14.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -130.66 134.83 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.495 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -107.14 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 1.4 p-10 -78.51 45.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 11' ' ' TRP . 4.5 m -45.85 -23.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -111.3 125.99 54.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.25 85.3 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -129.67 60.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -129.92 129.25 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.2 t -50.49 112.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -29.64 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.6 mt -51.89 -44.73 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.6 -7.78 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmt180 65.95 40.1 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.62 143.19 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -45.08 106.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 6.2 p -46.97 -32.94 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mmt -66.48 -34.63 78.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.9 173.82 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.572 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . . . -74.25 145.03 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.6 p -65.6 165.11 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.33 -17.82 59.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -82.25 -30.37 30.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.7 m -89.62 -42.48 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.39 -28.65 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.43 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HB2' ' CD ' ' A' ' 37' ' ' LYS . 59.1 mt-10 -89.47 2.11 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 60.92 45.75 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' CD ' ' HB2' ' A' ' 35' ' ' GLU . 21.6 mtpt -119.1 18.56 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.572 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -57.36 -45.33 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.11 -29.45 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.3 -27.52 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -64.98 82.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG21 ' CG2' ' A' ' 79' ' ' ILE . 33.4 m -88.77 -178.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -110.22 121.83 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.73 111.91 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -85.06 137.72 32.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -103.17 162.69 15.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -31.53 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.05 -1.56 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 73.55 46.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.2 m170 -132.5 125.64 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 p -85.94 138.4 32.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.5 m-85 -143.68 177.25 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.42 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 33.0 m80 -92.16 112.85 24.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -38.27 1.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.35 -44.69 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 79.9 m -67.37 -60.7 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' TRP . 12.5 tpp -39.08 -62.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -42.9 -33.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.38 -30.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 28.1 t-105 -68.7 -31.7 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.5 m -71.07 -20.42 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -65.49 -25.3 67.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -115.63 -42.07 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -136.59 108.29 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.408 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 11.4 p-10 -83.96 40.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 32.2 mtt-85 -143.92 130.94 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 71' ' ' GLN . 13.1 t -42.6 124.27 2.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.673 0.749 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.523 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.2 Cg_endo -69.85 5.26 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.8 mt -111.9 -43.11 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.2 p -119.21 9.04 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.504 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.2 34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' CYS . 15.0 mt-30 -109.27 154.96 21.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' GLN . 11.4 t0 -37.15 103.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.547 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 54.3 t-105 -74.6 126.0 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.73 126.55 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.29 103.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -76.26 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -154.08 160.35 41.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.432 ' CG2' HG21 ' A' ' 42' ' ' VAL . 25.6 mt -132.76 154.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 144.51 166.56 11.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 119.314 -0.374 . . . . 0.0 110.909 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -98.0 88.51 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -83.29 -57.6 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.3 119.02 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -123.88 128.93 50.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -63.18 167.95 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.05 87.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.8 mtt -100.57 87.5 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.332 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -73.95 134.84 43.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.4 t -57.54 155.14 10.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CD1' HG12 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -105.58 -12.27 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 52.51 47.22 25.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 ' CD1' ' A' ' 11' ' ' TRP . 12.7 m -72.52 -23.53 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.1 tm-20 -69.45 136.2 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 91.3 m -133.66 93.51 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -134.42 41.3 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -84.43 130.12 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.6 t -48.44 109.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -27.23 63.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mt -53.88 -46.31 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.18 -6.98 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.2 mmt180 64.23 41.06 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.4 t -124.89 147.58 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 27' ' ' ASP . 6.1 mm-40 -46.2 103.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 4.7 p -41.43 -48.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.6 mmm -57.95 -34.04 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' GLN . 89.0 m-20 -94.81 172.53 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 156.59 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.2 p -80.64 175.3 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.26 -14.39 62.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.02 -29.65 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.42 -30.58 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -68.05 -34.72 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.46 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -84.92 -4.16 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.36 40.32 11.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -108.82 21.06 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' CYS . 18.7 mt-30 -51.37 -51.06 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -39.28 -33.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -90.7 -35.21 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.9 t -62.8 89.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -103.12 179.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.9 t -104.47 122.07 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.8 p -111.01 111.73 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -80.54 142.34 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.95 158.61 15.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.38 -28.03 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.66 8.02 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 66.52 45.06 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -133.38 119.67 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.423 ' C ' HG22 ' A' ' 25' ' ' VAL . 71.6 p -84.57 141.43 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.468 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 96.2 m-85 -143.97 179.76 6.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' CYS . 31.5 m80 -93.42 105.91 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.4 p30 -35.19 -40.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -67.83 -48.71 65.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' LEU . 76.3 m -63.21 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' CYS . 11.2 tpp -35.49 -61.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 2.8 t -44.15 -37.49 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.4 mt -82.45 -35.92 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.563 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 24.3 t-105 -61.59 -39.64 91.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 58' ' ' SER . 13.1 m -60.37 -29.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.78 -36.02 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 14.3 pt20 -109.02 -40.77 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 67.4 m-80 -134.02 104.93 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -83.34 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -145.21 133.57 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.6 t -40.39 121.14 1.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.563 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 6.68 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 53.5 mt -110.24 -47.33 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.2 p -122.21 15.1 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.88 41.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' TRP . 28.2 mt-30 -106.97 151.83 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.11 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' GLN . 63.9 t-105 -60.35 122.43 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.24 103.21 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.3 t -47.85 107.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -87.94 -57.79 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' C ' HG13 ' A' ' 79' ' ' ILE . 10.4 mmm180 -131.45 161.68 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 78' ' ' ARG . 37.9 mt -143.88 132.98 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.2 -166.83 23.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 119.243 -0.408 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -75.75 165.85 24.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -90.77 144.41 25.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.49 150.58 31.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -121.34 139.17 53.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -140.64 129.93 23.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.79 137.8 3.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.2 mmm -143.94 156.56 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.734 0.302 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -85.4 146.55 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 p -137.53 155.02 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.58 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.1 -172.12 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' O ' ' C ' ' A' ' 13' ' ' VAL . 2.6 m-20 -94.22 -44.02 8.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG11 ' CD1' ' A' ' 11' ' ' TRP . 30.1 m 28.93 45.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' ASP . 12.6 pt-20 -97.32 136.06 38.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 m -149.81 164.19 35.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 49.69 28.42 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -66.07 123.23 19.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.1 t -44.01 108.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.26 62.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.2 mt -56.54 -47.93 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.16 -7.81 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 24.9 mmt85 64.94 38.77 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 24' ' ' GLN . 98.1 t -122.85 153.8 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.408 ' N ' HG13 ' A' ' 23' ' ' VAL . 38.0 mm-40 -52.87 106.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.23 -36.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.62 -38.45 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.38 163.15 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.81 149.72 48.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.53 166.71 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.96 -15.17 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -86.87 -30.56 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.3 m -91.13 -34.11 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -66.17 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.9 -41.19 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -76.67 -14.13 59.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 72.61 40.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -117.6 30.89 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.79 -43.96 90.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -42.12 -35.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -86.97 -39.49 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 95.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -112.02 177.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -95.84 120.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.29 112.27 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.408 ' HB2' ' HB2' ' A' ' 78' ' ' ARG . 30.4 m-90 -89.98 128.4 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -98.2 162.03 20.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.99 -24.06 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.0 p -77.6 6.37 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.43 48.83 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -136.66 122.01 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -85.06 138.52 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 88.3 m-85 -143.89 -175.64 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.3 m80 -97.37 110.68 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -36.34 -39.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -69.97 -45.8 66.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' HIS . 98.6 m -63.84 -57.14 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.48 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 3.0 tpt -48.58 -46.78 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -57.37 -33.1 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -84.86 -32.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.603 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 42.1 t-105 -70.61 -45.07 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.0 m -55.33 -18.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -69.26 -39.03 78.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -96.08 -38.7 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.471 ' ND2' ' HE1' ' A' ' 60' ' ' TRP . 7.8 t30 -140.09 120.14 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -80.05 14.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -114.66 159.86 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLN . 43.5 t -74.26 131.17 81.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.603 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.8 Cg_endo -69.82 5.7 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 mp -113.88 -45.64 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 71' ' ' GLN . 6.4 p -117.66 10.75 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.59 38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.17 176.5 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.86 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.48 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.7 t-105 -63.35 126.53 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.24 108.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.2 t -49.24 117.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.75 -54.43 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' HB2' ' HB2' ' A' ' 45' ' ' TRP . 45.5 mtm180 -137.89 161.92 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 96.2 mt -145.79 136.91 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.26 -177.37 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -70.53 174.83 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -132.82 92.63 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.89 176.37 2.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -142.47 137.03 30.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -94.99 144.08 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.76 147.27 16.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptm -98.58 179.02 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.28 175.71 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -65.66 172.5 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -54.49 -173.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.56 44.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 11' ' ' TRP . 13.7 m -80.43 46.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -110.05 20.56 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -94.96 -174.74 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 17' ' ' THR . 11.3 t70 -80.28 34.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 16' ' ' ASP . 20.0 m -31.59 117.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ARG . 39.9 t -43.38 113.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 -31.16 64.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.6 mt -51.44 -45.66 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.59 -8.86 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.3 mmm180 65.1 41.07 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 24' ' ' GLN . 52.2 t -126.68 146.12 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 23' ' ' VAL . 39.9 mm-40 -43.19 103.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 p -43.23 -47.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.3 mmt -56.06 -35.04 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.75 170.12 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.71 150.06 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -71.25 160.2 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.36 -15.46 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.24 -37.38 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.09 -37.04 22.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.77 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.79 4.44 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 57.65 39.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -92.04 14.84 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 25.6 mt-30 -44.58 -48.09 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -39.76 -34.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.67 -37.84 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.31 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.67 173.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.528 HG12 ' CZ2' ' A' ' 45' ' ' TRP . 91.0 t -94.5 118.17 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -105.55 116.53 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.528 ' CZ2' HG12 ' A' ' 43' ' ' VAL . 27.9 m-90 -90.16 142.61 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.472 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -108.75 160.7 13.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.66 -27.36 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.4 p -72.9 -2.28 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 74.8 45.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -135.64 126.21 26.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -86.82 140.1 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -143.5 -175.11 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 26.7 m170 -95.63 110.93 22.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -38.31 -39.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -69.74 -47.79 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LEU . 77.2 m -65.45 -57.04 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.489 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -41.84 -44.51 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' CYS . 74.6 mt -82.92 -23.89 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 53.4 t-105 -77.53 -42.65 34.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.78 -13.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -102.55 -39.12 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -140.7 120.29 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.25 14.88 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -115.09 166.77 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 71' ' ' GLN . 51.0 t -77.8 129.41 76.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 6.46 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HB2' ' SG ' ' A' ' 67' ' ' CYS . 93.0 mt -114.49 -42.21 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 11.7 p -123.52 11.94 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.01 35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.5 mt-30 -105.9 154.63 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -41.72 102.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.489 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 66.5 t-105 -70.47 135.7 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -146.3 108.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -49.17 108.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -91.1 -57.45 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' C ' HG13 ' A' ' 79' ' ' ILE . 3.4 mmm180 -131.43 161.61 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 78' ' ' ARG . 86.8 mt -150.26 133.81 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 81' ' ' LYS . . . 110.01 138.42 8.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' GLY . 1.3 mptm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -95.35 88.97 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -85.25 176.7 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.61 -169.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -92.11 -56.69 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -155.78 148.4 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 43.26 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -169.42 125.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -65.51 172.95 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -70.3 177.91 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -110.26 -173.05 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -115.19 35.9 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 11' ' ' TRP . 33.8 m -62.02 -28.23 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -137.5 131.63 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.91 31.89 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' O ' ' CG1' ' A' ' 25' ' ' VAL . 6.3 t0 -132.56 53.46 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -87.14 120.94 28.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -43.89 106.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.96 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.26 -52.68 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.41 -6.81 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.4 mmm180 64.29 39.76 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.8 t -120.64 156.89 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -54.47 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 16' ' ' ASP . 7.0 p -45.06 -34.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.9 mtp -68.05 -37.01 80.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -96.2 171.71 8.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.568 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -71.81 157.02 38.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.14 162.94 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.12 -14.86 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.11 -33.96 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.8 m -88.08 -29.79 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.07 -39.1 92.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.43 64.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -82.3 -14.76 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 71.9 38.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -103.15 28.03 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.621 HE21 ' N ' ' A' ' 38' ' ' GLN . 1.4 mm-40 -44.92 -54.55 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -45.36 -33.36 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.13 -34.26 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.97 85.49 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -99.39 176.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 60.9 t -101.03 117.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 p -105.84 111.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 78' ' ' ARG . 26.5 m-90 -80.41 150.77 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.4 158.52 14.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.1 -28.77 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.375 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.79 5.18 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 69.87 43.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.4 m170 -130.89 123.29 28.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.443 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 82.9 p -91.18 140.8 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.1 m-85 -142.88 176.97 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.415 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 30.9 m80 -88.31 112.04 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -37.55 -41.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.15 -47.83 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LEU . 87.0 m -63.43 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.469 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 2.6 tpt -42.64 -44.97 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -57.88 -33.78 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.5 mt -85.47 -35.63 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 18.2 t-105 -66.54 -46.72 75.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.62 -24.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -61.31 -37.67 84.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -99.32 -43.84 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -131.68 107.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -80.58 44.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -146.41 137.3 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' GLN . 23.0 t -50.06 123.74 16.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.81 6.1 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.669 2.246 . . . . 0.0 112.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD11 ' CE1' ' A' ' 52' ' ' PHE . 9.7 mp -109.99 -44.85 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.1 p -128.42 19.68 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.5 40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -102.73 150.19 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -40.52 97.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.469 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 60.9 t-105 -58.49 119.66 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.6 t -134.46 103.39 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.6 t -48.93 109.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 78' ' ' ARG . 12.3 tt0 -90.42 -49.67 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 15.1 mtt-85 -141.53 161.7 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 90.9 mt -144.63 139.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.76 175.24 14.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -102.91 165.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -134.21 149.51 51.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.91 -166.95 14.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -125.34 178.86 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -42.91 -51.92 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.22 -96.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 ttm -138.64 141.24 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -99.34 85.84 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -71.71 166.07 22.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.512 ' CD1' HG11 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -123.01 -10.06 8.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 50.64 45.93 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.512 HG11 ' CD1' ' A' ' 11' ' ' TRP . 14.2 m -71.0 -20.48 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -99.18 17.16 20.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 76.3 m -140.19 134.65 31.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 2.1 p30 34.6 54.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -135.03 131.97 37.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' ARG . 50.7 t -50.79 108.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -4.86 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mt -81.09 -47.17 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -116.32 -7.5 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' CYS . 25.3 mmt180 65.48 39.62 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 24' ' ' GLN . 40.7 t -126.82 144.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.482 ' N ' HG13 ' A' ' 23' ' ' VAL . 41.8 mm-40 -41.76 104.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' NE2' ' A' ' 53' ' ' HIS . 2.6 p -46.61 -32.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 mmt -69.78 -34.46 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.81 171.46 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -71.64 147.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -74.69 160.9 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.1 -16.3 2.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -87.39 -30.62 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -93.12 -23.89 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -70.37 -35.6 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.74 47.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.82 -11.21 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 70.32 37.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -100.81 27.17 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.673 HE21 ' N ' ' A' ' 38' ' ' GLN . 1.1 mm-40 -45.04 -59.45 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.03 -28.27 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.88 -35.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.17 85.7 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.4 m -94.14 175.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 80.6 t -100.37 120.67 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.52 111.53 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 80' ' ' GLY . 31.2 m-90 -83.77 145.42 28.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.66 158.86 14.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.75 -25.24 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.3 p -82.08 14.5 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.48 42.91 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.5 m170 -130.92 127.93 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.44 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 53.7 p -99.96 142.2 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.6 m-85 -143.76 -178.17 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' CYS . 33.5 m80 -91.34 107.51 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.0 p30 -33.24 -38.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -71.63 -48.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' HIS . 85.0 m -64.13 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 tpt -69.27 -48.29 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 m -57.61 -28.33 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -94.12 -31.26 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.428 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 5.1 t-105 -70.75 -44.91 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.5 m -55.78 -27.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -57.91 -43.56 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -92.16 -43.73 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.03 107.77 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -82.17 45.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -144.75 139.16 27.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' GLN . 32.7 t -49.26 124.84 14.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.74 7.34 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -114.61 -47.83 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.503 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.8 p -120.07 16.55 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.03 39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' CYS . 7.7 mt-30 -108.15 154.9 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLN . 35.7 t70 -37.38 103.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.401 ' C ' HG23 ' A' ' 75' ' ' VAL . 63.7 t-105 -69.17 126.38 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 74' ' ' TRP . 67.2 t -138.65 110.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.8 t -57.11 105.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.92 -60.5 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -130.72 161.63 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.8 mt -144.81 134.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' CH2' ' A' ' 45' ' ' TRP . . . 134.94 170.51 12.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.551 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 54.0 t -49.39 107.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.52 -28.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.5 mt -51.88 -48.08 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -117.65 -8.84 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.7 mmm180 65.71 38.56 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.66 147.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -47.81 102.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 51' ' ' SER . 3.2 p -44.55 -30.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -67.32 -37.59 83.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.24 174.94 6.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -72.36 151.98 42.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -75.41 173.07 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.06 -14.24 61.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -90.72 -28.24 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.2 m -92.93 -33.09 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 37.5 mt-30 -66.6 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.56 -36.83 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.79 -8.14 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.05 43.47 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -110.58 23.17 14.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mp0 -47.07 -58.8 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 34.7 tt0 -37.1 -31.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' GLN . 7.9 t70 -88.2 -38.92 14.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -62.17 88.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 54' ' ' ASN . 27.8 m -99.11 176.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 25' ' ' VAL . 93.5 t -103.28 130.97 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.0 p -116.1 112.09 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -85.66 144.82 27.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 163.72 12.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.16 -26.63 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.07 7.51 7.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 64.33 46.7 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.9 m170 -132.11 119.18 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' HG21 ' A' ' 25' ' ' VAL . 12.6 p -83.94 141.72 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 85.4 m-85 -143.57 179.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' CYS . 23.0 m80 -93.06 108.28 19.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.462 ' HB3' HG23 ' A' ' 42' ' ' VAL . 1.9 p-10 -37.03 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.74 -47.66 37.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.635 ' HB3' HG21 ' A' ' 20' ' ' ILE . 95.5 m -62.62 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.695 ' SD ' HG13 ' A' ' 61' ' ' VAL . 13.7 tpp -38.12 -55.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -49.82 -37.36 30.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' CYS . 20.5 mt -84.29 -26.24 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 47.0 t-105 -71.23 -48.02 53.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG13 ' SD ' ' A' ' 57' ' ' MET . 12.7 m -55.75 -25.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.45 -31.45 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -110.62 -43.4 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -134.05 102.29 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.79 45.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -147.03 132.13 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.5 t -43.83 122.75 3.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.76 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -111.69 -43.71 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLN . 18.0 p -123.58 13.15 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.49 38.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -105.0 153.52 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.4 t0 -43.06 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -59.99 124.28 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 73' ' ' ASP . 86.0 t -133.91 100.27 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.68 100.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.69 -55.9 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -153.29 153.78 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.9 mt -125.35 144.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.83 175.01 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.811 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 36.4 t -42.4 112.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.16 -34.15 70.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 56' ' ' CYS . 16.7 mt -47.05 -48.4 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -114.92 -10.6 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 67.87 40.73 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -126.23 153.31 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 23' ' ' VAL . 65.5 mm-40 -50.14 105.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.1 -47.07 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 25' ' ' VAL . 62.9 mmm -58.59 -34.9 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.73 168.13 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.45 148.67 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.63 168.48 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.54 -14.73 58.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -85.41 -33.83 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.58 -40.93 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.5 mt-30 -59.17 -30.69 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.65 -43.25 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.34 1.99 56.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 59.73 41.95 17.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -100.6 16.41 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ASP . 22.8 mp0 -44.06 -54.13 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' GLN . 42.8 mt-10 -32.7 -35.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -90.04 -41.45 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -57.87 87.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ASP . 31.5 m -101.67 174.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 97.5 t -98.05 125.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 HG12 ' A' ' 79' ' ' ILE . 7.3 p -110.35 113.12 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.469 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 22.9 m-90 -89.38 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.51 169.03 13.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.23 -25.43 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.9 5.55 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 67.8 44.72 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.0 m170 -134.72 122.33 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.449 ' OG ' HG21 ' A' ' 25' ' ' VAL . 54.0 p -91.04 142.57 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 97.3 m-85 -143.71 -175.64 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 26.8 m170 -94.04 111.44 23.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -40.78 -38.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.82 -48.12 55.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 20' ' ' ILE . 85.1 m -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 tpt -43.88 -48.36 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -55.72 -31.03 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.33 -36.16 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 11.7 t-105 -67.63 -39.96 84.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 57' ' ' MET . 27.8 m -64.72 -22.69 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -57.3 -34.15 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -112.37 -42.9 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -123.32 102.31 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -82.84 47.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -147.1 135.52 21.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.4 t -48.34 122.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.78 7.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 8.6 mp -112.73 -41.61 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.4 p -126.6 14.54 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 32.66 40.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.4 mt-30 -106.51 156.03 18.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.4 t0 -44.43 98.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.19 122.95 14.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 73' ' ' ASP . 64.2 t -134.44 104.48 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 79' ' ' ILE . 89.8 t -55.26 97.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -70.21 -55.66 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.1 ptp85 -154.55 158.93 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.714 HG12 HG23 ' A' ' 44' ' ' VAL . 36.0 mt -142.74 144.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.96 152.85 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.88 0.371 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.7 t -43.74 107.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.56 64.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 56' ' ' CYS . 11.8 mt -54.73 -52.31 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -111.67 -9.48 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 66.69 40.01 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -124.7 148.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -47.93 107.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.5 p -46.41 -37.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.38 -37.3 86.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.85 165.67 12.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -69.03 149.49 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.3 168.95 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.46 -15.94 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 -86.97 -32.06 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -91.56 -25.25 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.87 -25.73 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.88 11.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -0.74 57.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 61.03 43.71 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -105.48 18.11 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 26.6 mt-30 -50.59 -53.88 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -37.3 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.92 -37.64 13.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.17 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 81' ' ' LYS . 36.0 m -109.7 178.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 25' ' ' VAL . 63.9 t -103.47 116.58 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.79 112.87 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CZ3' ' O ' ' A' ' 80' ' ' GLY . 30.6 m-90 -84.7 146.39 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -111.73 169.67 13.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -62.91 -26.57 68.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.74 10.76 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 64.06 42.27 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.407 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 56.4 m170 -128.76 118.87 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.589 ' HB2' HG21 ' A' ' 25' ' ' VAL . 10.6 p -87.52 142.2 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 92.8 m-85 -140.94 -177.93 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' CYS . 24.4 m170 -94.57 107.19 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.1 p-10 -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -72.86 -48.32 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.2 m -67.05 -59.41 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.71 -40.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 61' ' ' VAL . 38.6 m -68.74 -34.93 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' CYS . 76.1 mt -79.68 -27.87 40.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.46 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 32.2 t-105 -72.6 -44.52 61.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 57' ' ' MET . 23.5 m -58.38 -19.95 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.86 -27.35 69.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -115.32 -40.68 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 79.7 m-20 -137.19 106.2 5.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.32 45.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -144.77 134.88 24.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.7 t -46.33 122.27 6.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.79 5.56 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.1 mt -110.6 -43.02 3.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 14.3 p -123.68 13.25 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.09 37.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.02 151.34 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.05 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 64.5 t-105 -64.02 121.01 13.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.6 t -129.12 104.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 79' ' ' ILE . 94.0 t -54.63 99.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.56 -57.03 4.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' NH1' ' CD2' ' A' ' 45' ' ' TRP . 16.6 ptt85 -152.07 160.49 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.439 HD11 HG11 ' A' ' 76' ' ' VAL . 19.5 mt -133.61 140.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.466 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 145.24 177.7 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.415 ' HD2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 45.4 t -42.04 110.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.22 71.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.4 mt -47.31 -51.32 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.2 -9.63 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 15.3 mmt180 69.14 39.3 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' H ' ' A' ' 30' ' ' LEU . 58.5 t -124.95 143.12 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -42.65 108.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 26' ' ' MET . 7.1 p -47.11 -45.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.482 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.3 mtp -57.26 -36.55 71.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -96.28 163.91 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -67.95 151.6 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' HA ' HG11 ' A' ' 23' ' ' VAL . 28.5 p -74.86 158.09 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' H ' HG21 ' A' ' 23' ' ' VAL . 19.4 mt -54.76 -16.36 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -84.1 -38.6 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 56.1 m -82.52 -38.86 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.8 mt-30 -61.7 -37.34 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -97.47 -4.69 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' CYS . 55.9 t30 64.5 36.13 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -95.29 23.07 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.6 mt-30 -47.72 -46.0 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -39.05 -27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' GLN . 27.3 t70 -98.03 -40.15 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -61.04 93.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 54' ' ' ASN . 35.6 m -106.41 -178.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -102.05 114.15 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.27 117.72 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.499 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.6 m-90 -95.93 145.56 25.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.02 163.1 12.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.47 -24.43 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.6 7.65 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 64.3 47.95 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -135.36 120.73 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 34.2 p -89.8 140.09 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.6 m-85 -144.15 -175.91 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' CYS . 30.3 m170 -93.05 107.0 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.2 p-10 -33.04 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -74.27 -48.26 29.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.607 ' HB3' HG21 ' A' ' 20' ' ' ILE . 71.0 m -65.47 -39.25 91.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -63.03 -43.84 97.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -67.23 -34.77 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 62' ' ' LYS . 13.4 mt -80.37 -31.55 37.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 24.5 t-105 -67.69 -46.89 70.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.75 -25.39 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' HE2' HD23 ' A' ' 59' ' ' LEU . 51.4 mttm -51.29 -33.9 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.97 -36.19 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 69.4 m-20 -133.62 102.25 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -81.89 36.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -137.29 133.38 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.2 t -44.54 122.33 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 6.25 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 47.9 mt -110.54 -45.27 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 16.5 p -120.88 12.15 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.19 37.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.6 mt-30 -107.64 152.18 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -38.7 106.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.498 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 68.7 t-105 -67.52 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.92 107.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.06 108.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -83.0 -54.06 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -154.46 160.24 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -137.2 148.36 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.32 19.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.4 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.896 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' ARG . 29.2 t -46.24 107.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.83 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' CYS . 61.1 mt -47.07 -45.86 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 23' ' ' VAL . 25.6 p -120.36 -9.69 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.6 mmm180 68.09 39.11 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 21' ' ' CYS . 46.2 t -121.7 152.27 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -53.85 107.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG11 ' OG ' ' A' ' 51' ' ' SER . 7.4 p -48.09 -28.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.1 mmt -72.32 -31.92 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -104.44 164.26 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -66.35 155.75 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.403 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -78.91 169.98 17.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.1 -14.38 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 1.6 mpt_? -88.93 -36.4 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -87.91 -25.22 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.0 mt-30 -75.0 -33.24 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.91 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -77.84 -11.7 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 69.67 39.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -115.34 30.24 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 28.0 mt-30 -54.89 -48.35 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -41.37 -29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.34 -33.22 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -66.27 83.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG12 ' HE2' ' A' ' 81' ' ' LYS . 33.7 m -95.58 -179.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -105.47 127.63 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.9 p -115.31 111.53 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -87.67 144.28 26.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -112.58 163.41 12.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.59 -26.35 61.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.18 7.98 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 64.5 47.35 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.0 m170 -135.05 121.38 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.457 ' OG ' HG11 ' A' ' 25' ' ' VAL . 95.0 p -89.3 141.53 28.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.4 m-85 -143.33 -179.5 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 56' ' ' CYS . 37.8 m80 -93.54 107.41 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -33.7 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' HIS . 25.0 p -73.27 -48.99 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' HIS . 72.4 m -64.96 -30.55 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -71.0 -49.26 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 61' ' ' VAL . 69.7 m -57.65 -32.3 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.05 -46.66 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 23.6 t-105 -58.34 -29.77 66.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -72.83 -25.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -54.01 -35.05 61.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -116.58 -39.27 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -126.16 99.11 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.42 38.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -139.27 135.63 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.2 t -46.83 122.27 7.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.6 mt -111.01 -46.93 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.4 p -120.72 12.45 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.18 38.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.61 152.96 22.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -42.52 102.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.438 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 67.2 t-105 -62.32 124.64 21.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.75 100.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.41 106.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.23 -59.06 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.0 ptm180 -150.39 161.2 42.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HG23 ' A' ' 44' ' ' VAL . 41.0 mt -143.03 147.87 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.71 142.7 7.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.623 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.8 t -41.18 112.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.93 -31.91 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.2 mt -48.44 -47.15 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.02 -7.38 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' CYS . 39.2 mmt-85 65.87 40.55 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 29' ' ' CYS . 60.7 t -123.9 142.59 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 26.6 mp0 -42.98 102.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 26' ' ' MET . 8.0 p -42.82 -43.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.467 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.2 mtp -58.57 -37.02 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.68 172.64 7.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.36 156.77 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' HG11 ' A' ' 23' ' ' VAL . 29.7 p -79.94 169.74 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.74 -17.24 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -85.69 -31.43 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.0 m -89.48 -34.58 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.7 -37.82 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.89 -41.6 20.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.28 -14.58 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.91 39.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -115.74 27.48 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 21.0 mt-30 -53.03 -45.23 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -42.67 -33.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.11 -39.15 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.16 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 54' ' ' ASN . 27.2 m -109.07 174.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.601 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 85.2 t -101.32 113.55 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -103.62 115.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 24.0 m-90 -89.2 148.39 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.59 163.76 12.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.02 -28.05 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.32 6.91 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 64.55 51.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.594 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 49.6 m170 -138.9 126.81 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 95.7 p -94.02 138.06 32.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.2 m-85 -144.04 174.57 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.3 m80 -84.03 110.52 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.49 ' HB3' HG23 ' A' ' 42' ' ' VAL . 1.2 p-10 -37.79 -40.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -68.58 -48.66 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.7 m -63.22 -59.73 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -39.29 -49.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 61' ' ' VAL . 67.5 m -61.4 -33.67 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' CYS . 31.5 mt -79.18 -30.75 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 38.8 t-105 -70.71 -44.3 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 58' ' ' SER . 31.1 m -54.94 -27.32 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -55.47 -33.69 63.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -109.5 -45.69 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.5 m120 -127.2 111.45 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -85.43 39.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -146.57 138.41 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 35.1 t -48.88 123.26 11.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.8 6.92 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 9.1 mp -110.5 -46.44 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.3 p -124.28 12.69 8.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 35.2 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 70' ' ' CYS . 46.8 mt-30 -100.53 153.88 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.4 m-20 -46.38 97.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 68.5 t-105 -55.3 120.71 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.9 t -134.86 98.51 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -44.46 112.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.9 -55.38 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -151.03 161.0 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.81 143.0 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.82 176.0 19.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 42.5 t -41.39 109.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.65 -28.24 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mt -53.77 -47.97 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.68 -11.26 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 66.65 41.14 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' H ' ' A' ' 30' ' ' LEU . 61.5 t -127.17 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.425 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 8.2 mp0 -40.69 106.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.1 p -46.55 -35.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.88 -37.23 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.35 168.07 10.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.37 150.05 48.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -69.34 168.63 13.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.0 mt -65.35 -14.62 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -86.28 -31.94 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.9 m -90.62 -36.48 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 34.2 mt-30 -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.85 -36.2 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -81.3 -7.0 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.13 41.57 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.22 25.24 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.7 mt-30 -54.42 -46.51 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -39.14 -38.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' HG13 ' A' ' 42' ' ' VAL . 21.1 t0 -84.14 -38.01 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.57 94.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 40' ' ' ASP . 26.9 m -104.52 175.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.49 119.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.78 HG23 HG12 ' A' ' 79' ' ' ILE . 14.7 p -108.37 111.75 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.4 m-90 -85.89 149.76 24.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.05 164.55 12.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.03 -32.23 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.98 -3.41 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 74.98 47.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.2 m170 -136.35 122.46 20.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 20.1 p -85.08 141.21 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 86.8 m-85 -143.9 -179.88 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.2 m80 -94.49 106.14 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.8 p-10 -33.94 -37.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.8 p -70.94 -48.28 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' HIS . 82.4 m -64.4 -42.23 96.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.549 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.5 tpt -61.01 -53.78 53.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 p -52.04 -33.14 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.62 -31.88 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 26.5 t-105 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -65.01 -24.69 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -57.54 -41.82 81.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -100.15 -41.69 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.9 m-20 -136.73 116.09 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -92.04 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -140.5 136.89 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLN . 21.9 t -47.02 121.84 7.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 74.9 mt -108.61 -46.51 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLN . 23.6 p -125.48 19.61 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' CYS . 5.8 pm0 30.57 41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' CYS . 31.7 mt-30 -100.23 154.3 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -45.05 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.549 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 52.2 t-105 -56.73 115.95 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 73' ' ' ASP . 87.7 t -132.49 99.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.52 103.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.97 -57.97 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -151.29 157.57 42.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.78 HG12 HG23 ' A' ' 44' ' ' VAL . 64.8 mt -132.11 148.69 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 136.23 178.74 16.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' ARG . 51.3 t -48.54 113.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.47 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 56' ' ' CYS . 37.8 mt -54.04 -45.18 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.92 -7.99 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' CYS . 32.6 mmt180 65.57 40.44 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -126.94 142.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 6.7 mp0 -41.02 104.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 26' ' ' MET . 9.0 p -43.93 -44.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.494 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.4 mmt -58.71 -35.91 73.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.42 167.34 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.33 149.24 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -73.19 171.21 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.67 -14.63 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -88.15 -30.7 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.57 -30.84 15.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 30.3 mt-30 -69.1 -26.69 65.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.68 -35.76 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -83.71 -5.39 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.01 42.79 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.2 22.35 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' CYS . 8.1 mp0 -52.97 -52.43 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -39.05 -32.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.02 -33.7 17.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.1 t -61.97 91.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.61 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.7 t -107.26 125.07 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.708 HG23 HG12 ' A' ' 79' ' ' ILE . 8.2 p -110.47 113.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.407 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 27.9 m-90 -87.96 143.5 27.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -109.78 165.21 12.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.59 -26.06 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.49 10.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.14 43.98 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.6 m170 -129.64 121.19 26.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 90.9 p -90.12 140.79 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.5 m-85 -143.34 -176.56 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 28.5 m170 -93.94 110.77 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -40.87 -36.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -71.97 -45.97 59.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' ILE . 87.2 m -65.71 -64.23 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.635 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.1 tpp -35.71 -63.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 51.1 p -41.73 -37.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' CYS . 15.3 mt -81.25 -47.31 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.495 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 22.3 t-105 -53.47 -37.36 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.1 m -65.77 -18.88 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -67.24 -22.8 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -116.64 -43.03 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -133.15 101.74 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.428 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 28.6 t30 -78.06 47.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 77.1 mtt-85 -150.43 133.95 16.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.2 t -45.27 123.36 5.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.722 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.68 6.37 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 10.9 mp -112.88 -41.77 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 10.5 p -124.76 13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.33 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 mt-30 -105.35 154.52 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.0 t70 -43.58 97.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 70.2 t-105 -59.81 126.52 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 73' ' ' ASP . 92.8 t -132.74 98.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 79' ' ' ILE . 95.7 t -50.07 102.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -58.48 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.52 157.34 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.708 HG12 HG23 ' A' ' 44' ' ' VAL . 25.8 mt -135.47 135.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.1 179.85 33.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 37.2 t -44.29 112.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.37 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 56' ' ' CYS . 26.7 mt -45.37 -46.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -118.01 -7.33 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.6 mmt180 65.27 37.7 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 29' ' ' CYS . 65.2 t -121.66 144.56 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -41.56 103.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG21 ' OG ' ' A' ' 51' ' ' SER . 3.2 p -45.97 -36.53 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.22 -35.08 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.83 173.94 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.59 154.6 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.554 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -79.72 166.57 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -13.36 13.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.67 -38.21 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.5 m -84.98 -30.94 23.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.2 mt-30 -66.67 -38.29 86.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.13 -38.31 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.52 -6.71 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.64 36.88 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -108.06 25.93 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.9 mt-30 -52.56 -46.99 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.7 tt0 -37.57 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.5 t70 -94.87 -39.67 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -58.82 91.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.41 173.66 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 62.0 t -95.68 109.23 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.6 p -98.59 114.84 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 31.7 m-90 -89.33 146.35 24.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.58 167.23 12.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.66 -29.17 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -72.2 -1.09 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 75.02 45.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.9 m170 -136.77 124.67 22.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 96.9 p -91.34 141.56 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 44' ' ' VAL . 96.4 m-85 -142.69 -178.37 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' CYS . 29.1 m80 -90.98 107.79 19.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -33.18 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -73.75 -48.75 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.4 m -64.57 -29.16 70.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.778 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.3 tpt -73.53 -46.88 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -65.13 -25.33 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.24 -35.97 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 14.7 t-105 -67.58 -36.71 81.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -62.11 -24.12 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -59.02 -43.15 91.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -96.71 -40.38 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -137.72 108.16 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -85.69 42.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -143.25 138.94 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLN . 17.1 t -49.02 123.36 12.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.81 7.57 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.2 mt -113.34 -47.0 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.5 p -119.68 11.77 12.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.99 37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' CYS . 27.4 mt-30 -104.32 155.09 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -42.73 100.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.6 t-105 -65.1 127.64 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 72.5 t -137.77 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -52.39 100.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' A' ' 78' ' ' ARG . 9.3 tt0 -74.95 -60.1 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -149.0 150.63 33.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.8 mt -119.45 139.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.24 150.19 6.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 40.6 t -51.16 116.1 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.95 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.9 mt -47.27 -47.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.38 -5.84 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 13.5 mmm180 65.28 38.11 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -123.78 151.53 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 12.8 mp0 -49.92 104.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.76 -47.52 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.525 ' N ' HG13 ' A' ' 25' ' ' VAL . 12.3 mtp -57.07 -35.3 69.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -95.07 169.61 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.87 151.73 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.6 p -76.45 170.42 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.28 -14.34 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -89.8 -30.26 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.6 m -93.38 -27.03 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.458 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 27.1 mt-30 -70.8 -31.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.18 -32.5 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -91.3 2.16 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 m120 55.27 44.7 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -110.43 16.37 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.5 mp0 -44.69 -57.45 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 15.4 pt-20 -36.27 -31.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLN . 13.6 t70 -88.91 -39.03 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.4 t -62.52 82.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.1 -178.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 94.2 t -108.92 114.73 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -102.17 113.03 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.442 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 29.8 m-90 -86.61 138.65 31.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.84 171.71 22.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mm-40 -65.15 -28.36 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -80.7 14.44 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 63.65 38.15 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.1 m170 -123.19 121.35 35.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 77.1 p -94.3 142.7 27.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.7 m-85 -143.63 179.68 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.6 m80 -87.57 110.65 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.2 p-10 -37.96 -37.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.72 -47.69 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' HG21 ' A' ' 20' ' ' ILE . 92.1 m -61.29 -63.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.3 tpp -35.06 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 61' ' ' VAL . 12.3 t -52.47 -41.4 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' CYS . 54.1 mt -78.15 -31.17 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 22.7 t-105 -66.6 -36.79 83.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.4 m -68.22 -22.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -57.14 -29.85 63.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -118.02 -40.33 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 32.4 m-20 -136.23 111.63 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -90.08 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -141.1 131.15 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' GLN . 16.4 t -39.39 121.27 1.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 3.79 2.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.92 -46.95 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.5 p -124.03 22.27 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' CYS . 1.5 pm0 31.03 42.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.8 mt-30 -103.8 161.04 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.1 t0 -53.87 92.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.464 ' NE1' ' HG2' ' A' ' 57' ' ' MET . 57.9 t-105 -46.9 119.5 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.0 t -132.91 100.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 44' ' ' VAL . 96.2 t -51.48 105.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -79.5 -55.23 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -153.45 161.09 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 80' ' ' GLY . 54.5 mt -135.71 153.28 32.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 143.52 176.53 17.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' ARG . 44.3 t -45.18 112.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.01 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 56' ' ' CYS . 44.5 mt -47.82 -45.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -119.48 -9.37 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.7 mmm180 67.65 38.13 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.63 145.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -43.69 108.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 43' ' ' VAL . 4.9 p -49.24 -36.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.54 -34.15 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.08 174.73 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -76.28 150.59 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.57 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.75 -14.46 5.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.42 -39.55 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.6 m -82.12 -29.31 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.9 mt-30 -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.22 -39.61 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.34 -11.2 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 69.33 41.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.11 25.63 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 22.0 mt-30 -54.51 -51.18 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.18 -33.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 17.6 t70 -90.28 -40.86 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.85 90.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 40' ' ' ASP . 27.1 m -104.37 177.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.5 t -102.34 129.98 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 p -115.48 111.35 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 30.0 m-90 -87.55 139.55 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.39 160.36 13.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.07 -23.74 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.3 p -77.87 8.08 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.36 44.5 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 46.5 m170 -136.18 118.41 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.485 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 95.7 p -89.15 142.25 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.3 m-85 -144.48 -175.49 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.402 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 m170 -93.87 114.14 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.57 -40.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.6 p -67.81 -49.09 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' HB3' HG21 ' A' ' 20' ' ' ILE . 76.3 m -62.7 -60.66 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.621 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.6 tpt -42.05 -53.33 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -31.77 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.31 -53.11 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 19.6 t-105 -49.85 -44.89 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 57' ' ' MET . 16.1 m -55.79 -27.17 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -59.38 -40.78 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -94.32 -44.25 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.52 108.43 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 m120 -80.02 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 73.6 mtt180 -148.4 132.82 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 70' ' ' CYS . 16.5 t -44.43 126.91 4.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.84 4.62 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.452 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 8.6 mp -110.45 -53.71 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 72' ' ' GLN . 5.4 p -104.06 7.64 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 33.34 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' CYS . 5.3 mm100 -119.79 164.93 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -39.89 110.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -83.2 118.8 23.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -123.45 116.67 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.11 105.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.21 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -151.45 157.35 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 44' ' ' VAL . 23.4 mt -127.86 145.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -175.65 34.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.294 -0.384 . . . . 0.0 110.91 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.0 t -45.76 107.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.13 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 56' ' ' CYS . 17.7 mt -51.18 -46.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.32 -6.74 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 28.6 mmt85 64.66 39.71 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.6 151.66 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -48.49 109.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -50.64 -32.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mmm -72.68 -32.16 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.93 170.97 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 150.51 43.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.72 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.0 -15.33 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -88.72 -30.51 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.8 m -91.26 -31.2 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.48 -31.36 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.65 -36.93 15.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -86.2 -4.99 59.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 64.19 40.21 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -105.71 21.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.2 mp0 -51.14 -57.8 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.6 mt-10 -37.76 -33.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.66 -36.94 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.23 82.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -94.29 176.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.574 ' HB ' ' CH2' ' A' ' 45' ' ' TRP . 99.5 t -101.06 124.48 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.3 p -110.98 111.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 m-90 -88.89 140.39 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.67 169.74 14.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.13 -24.22 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.7 p -79.81 10.68 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 64.44 44.08 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 54.6 m170 -134.72 122.37 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.532 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 37.5 p -94.36 143.58 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 50' ' ' HIS . 97.1 m-85 -142.93 -175.04 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -92.54 112.35 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -39.17 -37.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.8 -47.98 56.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.5 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.8 m -65.34 -57.94 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.721 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.95 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -78.24 -32.63 49.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' CYS . 56.3 mt -86.37 -10.38 54.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 12.9 t-105 -95.69 -40.89 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 57' ' ' MET . 19.8 m -56.32 -27.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 15.0 pttm -55.23 -46.98 75.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.6 pt20 -87.27 -41.37 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 10.2 m-20 -143.15 113.87 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 3.7 p-10 -82.87 41.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -137.3 152.28 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 71' ' ' GLN . 8.8 t -63.0 124.26 83.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.73 7.24 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -115.28 -43.23 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLN . 22.3 p -122.91 11.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.9 mt-30 -105.87 153.46 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.3 t0 -40.79 98.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.501 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 61.8 t-105 -58.51 124.93 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 73' ' ' ASP . 65.4 t -134.91 106.3 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.32 116.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -89.71 -60.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 5.2 ptp180 -152.17 157.28 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -136.87 134.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.75 146.22 5.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.5 t -40.04 112.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.9 mt -54.7 -50.03 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -111.87 -13.82 13.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.3 mmm180 71.46 37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.21 151.23 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -47.01 105.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 43' ' ' VAL . 2.6 p -47.54 -32.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.9 mmm -70.09 -34.42 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -96.37 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -75.18 148.85 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -76.44 160.79 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.38 -14.81 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -86.08 -40.14 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' ASN . 69.0 m -80.76 -36.7 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -60.84 -32.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.2 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.44 -2.15 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' CYS . 12.9 t-20 65.11 36.38 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -89.15 20.5 3.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 27.3 mt-30 -47.7 -46.35 29.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -46.42 -28.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.49 -34.86 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.03 97.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 m -116.12 -178.74 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 25' ' ' VAL . 51.1 t -99.96 127.89 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 79' ' ' ILE . 4.7 p -114.28 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -89.73 139.77 30.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.96 168.8 13.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.44 -24.22 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 9.9 p -88.79 21.52 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 1.6 p-10 49.43 39.33 16.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.5 m170 -116.71 117.28 29.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 p -81.49 138.17 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 75.8 m-85 -143.83 -178.97 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -91.34 107.98 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.11 -37.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.3 p -72.56 -47.53 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.7 m -64.2 -58.82 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.617 ' SD ' HG13 ' A' ' 61' ' ' VAL . 18.8 tpp -38.9 -59.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.5 p -45.67 -33.23 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' CYS . 26.4 mt -84.45 -50.22 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.481 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 35.0 t-105 -47.92 -46.46 31.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' SD ' ' A' ' 57' ' ' MET . 18.6 m -56.64 -24.9 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' HA ' ' A' ' 59' ' ' LEU . 7.4 mtpm? -59.23 -33.46 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 2.9 pt20 -106.68 -40.68 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 71.2 m-20 -134.65 107.14 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.423 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 1.6 m-80 -82.09 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 28.7 mtt180 -146.82 133.83 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' GLN . 9.5 t -46.94 122.77 7.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.75 5.77 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.5 mp -111.87 -42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.7 p -122.1 12.1 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.43 36.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.3 154.99 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.9 t70 -42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLN . 62.1 t-105 -55.55 126.31 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 73' ' ' ASP . 46.5 t -134.82 100.29 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 79' ' ' ILE . 90.2 t -53.65 113.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -84.71 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -154.44 159.45 41.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -134.49 145.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.73 174.64 26.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.904 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.8 t -46.48 111.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.99 65.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 56' ' ' CYS . 38.5 mt -49.38 -43.2 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.45 -6.95 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.1 mmm180 64.45 38.5 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 24' ' ' GLN . 88.5 t -120.61 154.09 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' N ' HG12 ' A' ' 23' ' ' VAL . 67.3 mm-40 -53.8 106.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 51' ' ' SER . 5.0 p -46.24 -41.51 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.15 -34.8 74.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -98.78 173.83 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.82 158.85 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.98 173.08 12.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.15 -15.0 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -87.27 -30.5 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.5 m -92.48 -34.77 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.0 -33.96 77.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.21 -37.05 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.69 -4.76 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 63.24 39.7 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 26.26 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -55.03 -42.45 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -42.93 -34.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.2 t0 -87.67 -40.02 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.77 95.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 40' ' ' ASP . 35.6 m -110.3 176.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 88.0 t -99.6 116.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.7 p -101.41 114.12 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -88.14 138.02 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.13 161.45 13.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.59 -22.63 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 p -79.61 7.07 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.16 46.55 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.0 m170 -135.93 121.67 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 58.0 p -86.83 140.38 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 94.5 m-85 -143.07 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -95.16 113.28 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.79 -39.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.78 -48.0 64.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.455 ' HB3' HG21 ' A' ' 20' ' ' ILE . 94.6 m -62.42 -62.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.779 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -42.06 -48.32 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 55.7 m -55.15 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.2 mt -86.4 -53.18 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 9.0 t-105 -49.67 -41.7 43.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -58.13 -23.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.68 -47.35 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -38.27 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 7.2 m120 -129.01 100.25 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -81.15 41.02 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -146.2 132.98 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.7 t -41.81 123.24 2.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.77 3.02 3.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -106.39 -44.07 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' GLN . 6.4 p -117.66 12.34 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.5 pm0 31.38 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' CYS . 14.5 mm-40 -115.17 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' OD2' HG23 ' A' ' 75' ' ' VAL . 19.3 t70 -40.25 116.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 59.1 t-105 -88.11 119.1 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 73' ' ' ASP . 89.3 t -127.05 117.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 79' ' ' ILE . 84.1 t -64.84 97.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -67.08 -57.98 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -154.04 155.64 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.41 HD11 HG11 ' A' ' 76' ' ' VAL . 32.8 mt -126.13 140.99 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.49 164.81 12.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.453 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.305 -0.379 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 23' ' ' VAL . 9.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.2 t -50.49 112.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -29.64 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 56' ' ' CYS . 25.6 mt -51.89 -44.73 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.6 -7.78 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmt180 65.95 40.1 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.632 HG21 ' H ' ' A' ' 30' ' ' LEU . 60.1 t -123.62 143.19 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 10.4 mp0 -45.08 106.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 43' ' ' VAL . 6.2 p -46.97 -32.94 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mmt -66.48 -34.63 78.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.9 173.82 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.589 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . . . -74.25 145.03 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.612 ' HA ' HG11 ' A' ' 23' ' ' VAL . 31.6 p -65.6 165.11 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.632 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.1 mt -62.33 -17.82 59.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -82.25 -30.37 30.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.7 m -89.62 -42.48 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.39 -28.65 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.43 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 37' ' ' LYS . 59.1 mt-10 -89.47 2.11 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 60.92 45.75 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 35' ' ' GLU . 21.6 mtpt -119.1 18.56 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.589 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -57.36 -45.33 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.11 -29.45 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.3 -27.52 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -64.98 82.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -88.77 -178.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.4 t -110.22 121.83 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.5 p -106.73 111.91 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -85.06 137.72 32.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -103.17 162.69 15.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -31.53 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.05 -1.56 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 73.55 46.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.2 m170 -132.5 125.64 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG21 ' A' ' 25' ' ' VAL . 69.2 p -85.94 138.4 32.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 96.5 m-85 -143.68 177.25 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.429 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 33.0 m80 -92.16 112.85 24.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -42.67 -38.27 1.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.35 -44.69 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 79.9 m -67.37 -60.7 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.746 ' SD ' HG13 ' A' ' 61' ' ' VAL . 12.5 tpp -39.08 -62.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -42.9 -33.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.38 -30.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 28.1 t-105 -68.7 -31.7 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.746 HG13 ' SD ' ' A' ' 57' ' ' MET . 5.5 m -71.07 -20.42 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -65.49 -25.3 67.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -115.63 -42.07 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -136.59 108.29 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 11.4 p-10 -83.96 40.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 32.2 mtt-85 -143.92 130.94 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLN . 13.1 t -42.6 124.27 2.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.673 0.749 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.2 Cg_endo -69.85 5.26 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 83.8 mt -111.9 -43.11 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.2 p -119.21 9.04 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.2 34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' CYS . 15.0 mt-30 -109.27 154.96 21.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' GLN . 11.4 t0 -37.15 103.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.557 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 54.3 t-105 -74.6 126.0 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.73 126.55 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 44' ' ' VAL . 56.0 t -68.29 103.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -76.26 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -154.08 160.35 41.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 44' ' ' VAL . 25.6 mt -132.76 154.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.425 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 144.51 166.56 11.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 119.314 -0.374 . . . . 0.0 110.909 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.6 t -48.44 109.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -27.23 63.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.9 mt -53.88 -46.31 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.18 -6.98 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.2 mmt180 64.23 41.06 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 28' ' ' ALA . 46.4 t -124.89 147.58 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ASP . 6.1 mm-40 -46.2 103.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.533 HG21 ' OG ' ' A' ' 51' ' ' SER . 4.7 p -41.43 -48.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.497 ' N ' HG13 ' A' ' 25' ' ' VAL . 77.6 mmm -57.95 -34.04 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' GLN . 89.0 m-20 -94.81 172.53 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -74.4 156.59 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.2 p -80.64 175.3 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.26 -14.39 62.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.02 -29.65 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.42 -30.58 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 23.0 mt-30 -68.05 -34.72 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.46 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -84.92 -4.16 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 62.36 40.32 11.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -108.82 21.06 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' CYS . 18.7 mt-30 -51.37 -51.06 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -39.28 -33.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -90.7 -35.21 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.9 t -62.8 89.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -103.12 179.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.9 t -104.47 122.07 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.8 p -111.01 111.73 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -80.54 142.34 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.95 158.61 15.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.38 -28.03 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.66 8.02 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 66.52 45.06 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -133.38 119.67 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.533 ' OG ' HG21 ' A' ' 25' ' ' VAL . 71.6 p -84.57 141.43 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.2 m-85 -143.97 179.76 6.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' CYS . 31.5 m80 -93.42 105.91 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -35.19 -40.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -67.83 -48.71 65.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' LEU . 76.3 m -63.21 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 61' ' ' VAL . 11.2 tpp -35.49 -61.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -44.15 -37.49 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.4 mt -82.45 -35.92 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 24.3 t-105 -61.59 -39.64 91.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' A' ' 57' ' ' MET . 13.1 m -60.37 -29.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.78 -36.02 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 14.3 pt20 -109.02 -40.77 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 67.4 m-80 -134.02 104.93 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -83.34 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -145.21 133.57 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.6 t -40.39 121.14 1.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 6.68 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 mt -110.24 -47.33 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.2 p -122.21 15.1 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER 33.88 41.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' TRP . 28.2 mt-30 -106.97 151.83 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.11 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' GLN . 63.9 t-105 -60.35 122.43 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.24 103.21 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 79' ' ' ILE . 98.3 t -47.85 107.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -87.94 -57.79 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 79' ' ' ILE . 10.4 mmm180 -131.45 161.68 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 76' ' ' VAL . 37.9 mt -143.88 132.98 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.2 -166.83 23.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 119.243 -0.408 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.1 t -44.01 108.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.26 62.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.2 mt -56.54 -47.93 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.16 -7.81 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 24.9 mmt85 64.94 38.77 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 24' ' ' GLN . 98.1 t -122.85 153.8 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 23' ' ' VAL . 38.0 mm-40 -52.87 106.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG11 ' OG ' ' A' ' 51' ' ' SER . 3.1 p -46.23 -36.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.62 -38.45 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.38 163.15 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.81 149.72 48.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.53 166.71 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.96 -15.17 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -86.87 -30.56 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.3 m -91.13 -34.11 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.404 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.2 mt-30 -66.17 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.9 -41.19 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -76.67 -14.13 59.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.61 40.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -117.6 30.89 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.79 -43.96 90.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -42.12 -35.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -86.97 -39.49 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 95.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -112.02 177.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 25' ' ' VAL . 85.4 t -95.84 120.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -107.29 112.27 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -89.98 128.4 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -98.2 162.03 20.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.99 -24.06 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.0 p -77.6 6.37 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.43 48.83 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.474 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -136.66 122.01 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.53 ' OG ' HG11 ' A' ' 25' ' ' VAL . 92.9 p -85.06 138.52 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 88.3 m-85 -143.89 -175.64 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.3 m80 -97.37 110.68 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -36.34 -39.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -69.97 -45.8 66.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' HIS . 98.6 m -63.84 -57.14 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.617 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.0 tpt -48.58 -46.78 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -57.37 -33.1 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -84.86 -32.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 42.1 t-105 -70.61 -45.07 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 57' ' ' MET . 31.0 m -55.33 -18.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -69.26 -39.03 78.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -96.08 -38.7 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.501 ' ND2' ' HE1' ' A' ' 60' ' ' TRP . 7.8 t30 -140.09 120.14 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -80.05 14.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 64' ' ' ASN . 84.9 mtt180 -114.66 159.86 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 43.5 t -74.26 131.17 81.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.8 Cg_endo -69.82 5.7 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.1 mp -113.88 -45.64 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 71' ' ' GLN . 6.4 p -117.66 10.75 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.59 38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.17 176.5 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.86 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.48 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.7 t-105 -63.35 126.53 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.24 108.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 HD11 ' A' ' 79' ' ' ILE . 89.2 t -49.24 117.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.75 -54.43 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -137.89 161.92 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.405 HD11 HG11 ' A' ' 76' ' ' VAL . 96.2 mt -145.79 136.91 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.26 -177.37 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.862 0.363 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ARG . 39.9 t -43.38 113.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 -31.16 64.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.6 mt -51.44 -45.66 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.59 -8.86 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.3 mmm180 65.1 41.07 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.68 146.12 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -43.19 103.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 26' ' ' MET . 3.6 p -43.23 -47.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 25' ' ' VAL . 19.3 mmt -56.06 -35.04 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.75 170.12 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.71 150.06 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -71.25 160.2 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.36 -15.46 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.24 -37.38 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.09 -37.04 22.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.77 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.79 4.44 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 57.65 39.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -92.04 14.84 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 25.6 mt-30 -44.58 -48.09 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -39.76 -34.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.67 -37.84 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.31 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.67 173.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.5 118.17 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -105.55 116.53 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.9 m-90 -90.16 142.61 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -108.75 160.7 13.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.66 -27.36 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.4 p -72.9 -2.28 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 74.8 45.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -135.64 126.21 26.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -86.82 140.1 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 82.1 m-85 -143.5 -175.11 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 26.7 m170 -95.63 110.93 22.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -38.31 -39.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -69.74 -47.79 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LEU . 77.2 m -65.45 -57.04 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -41.84 -44.51 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' CYS . 74.6 mt -82.92 -23.89 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 53.4 t-105 -77.53 -42.65 34.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' SD ' ' A' ' 57' ' ' MET . 16.2 m -55.78 -13.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -102.55 -39.12 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -140.7 120.29 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.25 14.88 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -115.09 166.77 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' GLN . 51.0 t -77.8 129.41 76.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 6.46 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 93.0 mt -114.49 -42.21 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 11.7 p -123.52 11.94 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.01 35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.5 mt-30 -105.9 154.63 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -41.72 102.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 66.5 t-105 -70.47 135.7 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -146.3 108.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.799 HG11 HD11 ' A' ' 79' ' ' ILE . 78.8 t -49.17 108.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -91.1 -57.45 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' C ' HG13 ' A' ' 79' ' ' ILE . 3.4 mmm180 -131.43 161.61 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.799 HD11 HG11 ' A' ' 76' ' ' VAL . 86.8 mt -150.26 133.81 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 81' ' ' LYS . . . 110.01 138.42 8.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' GLY . 1.3 mptm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.827 0.346 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -43.89 106.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.96 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 56' ' ' CYS . 14.4 mt -52.26 -52.68 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.41 -6.81 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.4 mmm180 64.29 39.76 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 24' ' ' GLN . 99.8 t -120.64 156.89 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.483 ' N ' HG12 ' A' ' 23' ' ' VAL . 9.9 mm100 -54.47 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 43' ' ' VAL . 7.0 p -45.06 -34.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.9 mtp -68.05 -37.01 80.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -96.2 171.71 8.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.793 ' HB3' ' NE2' ' A' ' 38' ' ' GLN . . . -71.81 157.02 38.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.14 162.94 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.12 -14.86 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.11 -33.96 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.8 m -88.08 -29.79 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.956 ' HG2' HE22 ' A' ' 38' ' ' GLN . 55.2 mt-30 -65.07 -39.1 92.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.43 64.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -82.3 -14.76 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 71.9 38.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -103.15 28.03 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.956 HE22 ' HG2' ' A' ' 33' ' ' GLN . 4.9 mm100 -44.92 -54.55 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -45.36 -33.36 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.13 -34.26 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.97 85.49 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -99.39 176.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 25' ' ' VAL . 60.9 t -101.03 117.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -105.84 111.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 78' ' ' ARG . 26.5 m-90 -80.41 150.77 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.4 158.52 14.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.1 -28.77 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.375 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.79 5.18 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 69.87 43.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.4 m170 -130.89 123.29 28.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 82.9 p -91.18 140.8 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.1 m-85 -142.88 176.97 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 30.9 m80 -88.31 112.04 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -37.55 -41.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.15 -47.83 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.439 ' HB3' HD13 ' A' ' 20' ' ' ILE . 87.0 m -63.43 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.6 tpt -42.64 -44.97 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -57.88 -33.78 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.5 mt -85.47 -35.63 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.552 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 18.2 t-105 -66.54 -46.72 75.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -55.62 -24.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -61.31 -37.67 84.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -99.32 -43.84 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -131.68 107.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -80.58 44.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -146.41 137.3 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' GLN . 23.0 t -50.06 123.74 16.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.81 6.1 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.669 2.246 . . . . 0.0 112.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -109.99 -44.85 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.1 p -128.42 19.68 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.2 pm0 30.5 40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -102.73 150.19 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.4 m-20 -40.52 97.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 60.9 t-105 -58.49 119.66 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 73' ' ' ASP . 84.6 t -134.46 103.39 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 79' ' ' ILE . 87.6 t -48.93 109.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 78' ' ' ARG . 12.3 tt0 -90.42 -49.67 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 15.1 mtt-85 -141.53 161.7 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 76' ' ' VAL . 90.9 mt -144.63 139.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.76 175.24 14.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' ARG . 50.7 t -50.79 108.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -4.86 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mt -81.09 -47.17 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -116.32 -7.5 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' CYS . 25.3 mmt180 65.48 39.62 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -126.82 144.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.76 104.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -46.61 -32.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 mmt -69.78 -34.46 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.81 171.46 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB3' ' NE2' ' A' ' 38' ' ' GLN . . . -71.64 147.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -74.69 160.9 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.1 -16.3 2.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -87.39 -30.62 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -93.12 -23.89 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.98 ' HG2' HE22 ' A' ' 38' ' ' GLN . 59.5 mt-30 -70.37 -35.6 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.74 47.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.82 -11.21 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 70.32 37.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -100.81 27.17 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.98 HE22 ' HG2' ' A' ' 33' ' ' GLN . 4.6 mm100 -45.04 -59.45 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.03 -28.27 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.88 -35.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.17 85.7 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 81' ' ' LYS . 35.4 m -94.14 175.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 25' ' ' VAL . 80.6 t -100.37 120.67 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -106.52 111.53 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 80' ' ' GLY . 31.2 m-90 -83.77 145.42 28.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.66 158.86 14.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.75 -25.24 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.3 p -82.08 14.5 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.48 42.91 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.5 m170 -130.92 127.93 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.458 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 53.7 p -99.96 142.2 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.6 m-85 -143.76 -178.17 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' CYS . 33.5 m80 -91.34 107.51 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -33.24 -38.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -71.63 -48.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' HIS . 85.0 m -64.13 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 tpt -69.27 -48.29 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 m -57.61 -28.33 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -94.12 -31.26 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 5.1 t-105 -70.75 -44.91 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' MET . 29.5 m -55.78 -27.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -57.91 -43.56 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -92.16 -43.73 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.03 107.77 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.17 45.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -144.75 139.16 27.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' GLN . 32.7 t -49.26 124.84 14.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.74 7.34 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -114.61 -47.83 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.503 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.8 p -120.07 16.55 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 70' ' ' CYS . 4.8 pm0 30.03 39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' CYS . 7.7 mt-30 -108.15 154.9 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLN . 35.7 t70 -37.38 103.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -69.17 126.38 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.2 t -138.65 110.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 79' ' ' ILE . 87.8 t -57.11 105.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.92 -60.5 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 79' ' ' ILE . 6.3 mmp_? -130.72 161.63 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 76' ' ' VAL . 63.8 mt -144.81 134.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' CH2' ' A' ' 45' ' ' TRP . . . 134.94 170.51 12.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.551 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -65.53 172.26 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -89.28 159.9 17.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.31 -150.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -117.29 148.74 41.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -138.83 175.71 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.51 103.42 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.7 mmm -110.36 115.39 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -68.02 164.51 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -119.39 167.03 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.572 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -123.48 -173.54 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -113.27 39.15 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 11' ' ' TRP . 21.1 m -69.48 -24.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.8 109.21 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.2 m -130.92 177.37 7.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.01 53.95 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -109.72 137.33 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 54.0 t -49.39 107.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.52 -28.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.5 mt -51.88 -48.08 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -117.65 -8.84 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.7 mmm180 65.71 38.56 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.66 147.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -47.81 102.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 51' ' ' SER . 3.2 p -44.55 -30.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -67.32 -37.59 83.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.24 174.94 6.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -72.36 151.98 42.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -75.41 173.07 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.06 -14.24 61.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -90.72 -28.24 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.2 m -92.93 -33.09 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 37.5 mt-30 -66.6 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.56 -36.83 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.79 -8.14 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.05 43.47 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -110.58 23.17 14.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mp0 -47.07 -58.8 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 34.7 tt0 -37.1 -31.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' GLN . 7.9 t70 -88.2 -38.92 14.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -62.17 88.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' ' 54' ' ' ASN . 27.8 m -99.11 176.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 25' ' ' VAL . 93.5 t -103.28 130.97 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.0 p -116.1 112.09 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -85.66 144.82 27.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 163.72 12.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.16 -26.63 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.07 7.51 7.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 64.33 46.7 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.9 m170 -132.11 119.18 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' HG21 ' A' ' 25' ' ' VAL . 12.6 p -83.94 141.72 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 85.4 m-85 -143.57 179.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' CYS . 23.0 m80 -93.06 108.28 19.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.462 ' HB3' HG23 ' A' ' 42' ' ' VAL . 1.9 p-10 -37.03 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.74 -47.66 37.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.635 ' HB3' HG21 ' A' ' 20' ' ' ILE . 95.5 m -62.62 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.695 ' SD ' HG13 ' A' ' 61' ' ' VAL . 13.7 tpp -38.12 -55.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -49.82 -37.36 30.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' CYS . 20.5 mt -84.29 -26.24 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 47.0 t-105 -71.23 -48.02 53.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG13 ' SD ' ' A' ' 57' ' ' MET . 12.7 m -55.75 -25.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.45 -31.45 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -110.62 -43.4 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -134.05 102.29 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.79 45.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -147.03 132.13 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.5 t -43.83 122.75 3.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.76 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -111.69 -43.71 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLN . 18.0 p -123.58 13.15 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.49 38.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -105.0 153.52 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.4 t0 -43.06 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -59.99 124.28 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 73' ' ' ASP . 86.0 t -133.91 100.27 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.68 100.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.69 -55.9 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -153.29 153.78 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.9 mt -125.35 144.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.83 175.01 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -141.5 125.45 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -88.72 175.13 7.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.42 112.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -140.68 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -132.92 112.87 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.04 145.93 17.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmm -151.99 115.45 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.99 172.04 10.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -147.9 138.92 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -125.17 -173.36 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -113.66 44.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m -80.9 46.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -41.55 103.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASP . 60.5 m -147.07 108.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 72.2 m-20 35.71 41.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -66.5 114.67 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 36.4 t -42.4 112.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.16 -34.15 70.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 56' ' ' CYS . 16.7 mt -47.05 -48.4 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -114.92 -10.6 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 67.87 40.73 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -126.23 153.31 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 23' ' ' VAL . 65.5 mm-40 -50.14 105.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.1 -47.07 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 25' ' ' VAL . 62.9 mmm -58.59 -34.9 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.73 168.13 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.45 148.67 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.63 168.48 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.54 -14.73 58.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -85.41 -33.83 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.58 -40.93 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.5 mt-30 -59.17 -30.69 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.65 -43.25 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.34 1.99 56.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 59.73 41.95 17.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -100.6 16.41 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ASP . 22.8 mp0 -44.06 -54.13 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' GLN . 42.8 mt-10 -32.7 -35.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -90.04 -41.45 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -57.87 87.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ASP . 31.5 m -101.67 174.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 97.5 t -98.05 125.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 HG12 ' A' ' 79' ' ' ILE . 7.3 p -110.35 113.12 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.469 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 22.9 m-90 -89.38 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.51 169.03 13.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.23 -25.43 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.9 5.55 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 67.8 44.72 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.0 m170 -134.72 122.33 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.449 ' OG ' HG21 ' A' ' 25' ' ' VAL . 54.0 p -91.04 142.57 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 97.3 m-85 -143.71 -175.64 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.418 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 26.8 m170 -94.04 111.44 23.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -40.78 -38.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.82 -48.12 55.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 20' ' ' ILE . 85.1 m -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 tpt -43.88 -48.36 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -55.72 -31.03 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.33 -36.16 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 11.7 t-105 -67.63 -39.96 84.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 57' ' ' MET . 27.8 m -64.72 -22.69 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -57.3 -34.15 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -112.37 -42.9 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -123.32 102.31 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -82.84 47.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -147.1 135.52 21.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.4 t -48.34 122.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.78 7.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 8.6 mp -112.73 -41.61 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.4 p -126.6 14.54 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 32.66 40.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.4 mt-30 -106.51 156.03 18.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.4 t0 -44.43 98.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.19 122.95 14.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 73' ' ' ASP . 64.2 t -134.44 104.48 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 79' ' ' ILE . 89.8 t -55.26 97.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -70.21 -55.66 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.1 ptp85 -154.55 158.93 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.714 HG12 HG23 ' A' ' 44' ' ' VAL . 36.0 mt -142.74 144.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.96 152.85 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -172.74 150.57 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -79.9 115.6 19.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.74 -168.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -152.6 168.34 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -109.3 143.82 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.01 -151.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.0 mtm -81.64 128.13 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -66.39 94.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -156.33 152.62 27.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.8 ' CD1' HG13 ' A' ' 13' ' ' VAL . 1.2 p90 -81.62 -172.9 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -121.04 54.53 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.8 HG13 ' CD1' ' A' ' 11' ' ' TRP . 25.7 m -75.78 53.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -125.13 102.53 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 m -114.64 35.62 4.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.57 ' O ' HG12 ' A' ' 25' ' ' VAL . 10.3 p30 -131.07 59.01 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -114.33 120.71 41.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.7 t -43.74 107.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.56 64.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 56' ' ' CYS . 11.8 mt -54.73 -52.31 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -111.67 -9.48 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 66.69 40.01 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -124.7 148.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -47.93 107.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.5 p -46.41 -37.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.38 -37.3 86.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.85 165.67 12.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -69.03 149.49 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.3 168.95 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.46 -15.94 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 -86.97 -32.06 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -91.56 -25.25 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.87 -25.73 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.88 11.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -0.74 57.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 61.03 43.71 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -105.48 18.11 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 26.6 mt-30 -50.59 -53.88 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -37.3 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.92 -37.64 13.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.17 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 81' ' ' LYS . 36.0 m -109.7 178.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 25' ' ' VAL . 63.9 t -103.47 116.58 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.79 112.87 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CZ3' ' O ' ' A' ' 80' ' ' GLY . 30.6 m-90 -84.7 146.39 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -111.73 169.67 13.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -62.91 -26.57 68.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.74 10.76 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 64.06 42.27 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.407 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 56.4 m170 -128.76 118.87 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.589 ' HB2' HG21 ' A' ' 25' ' ' VAL . 10.6 p -87.52 142.2 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 92.8 m-85 -140.94 -177.93 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' CYS . 24.4 m170 -94.57 107.19 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.1 p-10 -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -72.86 -48.32 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.2 m -67.05 -59.41 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.71 -40.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 61' ' ' VAL . 38.6 m -68.74 -34.93 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' CYS . 76.1 mt -79.68 -27.87 40.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.46 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 32.2 t-105 -72.6 -44.52 61.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 57' ' ' MET . 23.5 m -58.38 -19.95 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.86 -27.35 69.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -115.32 -40.68 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 79.7 m-20 -137.19 106.2 5.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.32 45.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -144.77 134.88 24.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.7 t -46.33 122.27 6.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.79 5.56 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.1 mt -110.6 -43.02 3.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 14.3 p -123.68 13.25 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.09 37.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.02 151.34 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.05 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 64.5 t-105 -64.02 121.01 13.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.6 t -129.12 104.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 79' ' ' ILE . 94.0 t -54.63 99.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.56 -57.03 4.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' NH1' ' CD2' ' A' ' 45' ' ' TRP . 16.6 ptt85 -152.07 160.49 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.439 HD11 HG11 ' A' ' 76' ' ' VAL . 19.5 mt -133.61 140.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.466 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 145.24 177.7 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' HD2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -152.13 163.8 38.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -129.62 169.46 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.92 -122.59 2.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -135.02 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 p -167.16 150.21 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.75 -170.41 27.55 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.63 119.74 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -83.53 143.24 30.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 p -87.9 118.99 27.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.81 -173.29 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.03 43.6 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.4 m -80.36 40.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -74.39 167.82 20.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -81.51 38.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -125.84 59.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -142.05 111.92 6.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 45.4 t -42.04 110.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.22 71.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.4 mt -47.31 -51.32 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.2 -9.63 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 15.3 mmt180 69.14 39.3 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' H ' ' A' ' 30' ' ' LEU . 58.5 t -124.95 143.12 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -42.65 108.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 26' ' ' MET . 7.1 p -47.11 -45.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.482 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.3 mtp -57.26 -36.55 71.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -96.28 163.91 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -67.95 151.6 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' HA ' HG11 ' A' ' 23' ' ' VAL . 28.5 p -74.86 158.09 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' H ' HG21 ' A' ' 23' ' ' VAL . 19.4 mt -54.76 -16.36 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -84.1 -38.6 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 56.1 m -82.52 -38.86 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.8 mt-30 -61.7 -37.34 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -97.47 -4.69 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' CYS . 55.9 t30 64.5 36.13 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -95.29 23.07 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.6 mt-30 -47.72 -46.0 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -39.05 -27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' GLN . 27.3 t70 -98.03 -40.15 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -61.04 93.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 54' ' ' ASN . 35.6 m -106.41 -178.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -102.05 114.15 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.27 117.72 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.499 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.6 m-90 -95.93 145.56 25.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.02 163.1 12.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.47 -24.43 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.6 7.65 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 64.3 47.95 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -135.36 120.73 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 34.2 p -89.8 140.09 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.6 m-85 -144.15 -175.91 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' CYS . 30.3 m170 -93.05 107.0 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.2 p-10 -33.04 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -74.27 -48.26 29.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.607 ' HB3' HG21 ' A' ' 20' ' ' ILE . 71.0 m -65.47 -39.25 91.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -63.03 -43.84 97.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -67.23 -34.77 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 62' ' ' LYS . 13.4 mt -80.37 -31.55 37.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 24.5 t-105 -67.69 -46.89 70.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.75 -25.39 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' HE2' HD23 ' A' ' 59' ' ' LEU . 51.4 mttm -51.29 -33.9 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.97 -36.19 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 69.4 m-20 -133.62 102.25 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -81.89 36.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -137.29 133.38 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.2 t -44.54 122.33 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 6.25 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 47.9 mt -110.54 -45.27 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 16.5 p -120.88 12.15 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.19 37.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.6 mt-30 -107.64 152.18 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -38.7 106.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.498 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 68.7 t-105 -67.52 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.92 107.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.06 108.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -83.0 -54.06 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -154.46 160.24 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -137.2 148.36 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.32 19.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.4 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.896 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -173.92 107.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -116.42 154.09 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.32 170.05 36.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -161.1 118.53 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -148.32 157.7 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.68 120.44 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ttp -112.56 83.33 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -60.46 151.11 29.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 t -80.84 137.48 36.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.58 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -98.45 -173.36 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 12' ' ' ASP . 2.7 p-10 -112.8 44.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG22 ' HD1' ' A' ' 11' ' ' TRP . 19.0 m -79.4 42.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.79 151.87 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -144.52 139.11 28.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.99 33.41 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -75.91 127.31 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' ARG . 29.2 t -46.24 107.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.83 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' CYS . 61.1 mt -47.07 -45.86 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 23' ' ' VAL . 25.6 p -120.36 -9.69 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.6 mmm180 68.09 39.11 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 21' ' ' CYS . 46.2 t -121.7 152.27 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -53.85 107.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG11 ' OG ' ' A' ' 51' ' ' SER . 7.4 p -48.09 -28.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.1 mmt -72.32 -31.92 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -104.44 164.26 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -66.35 155.75 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.403 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -78.91 169.98 17.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.1 -14.38 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 1.6 mpt_? -88.93 -36.4 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -87.91 -25.22 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.0 mt-30 -75.0 -33.24 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.91 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -77.84 -11.7 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 69.67 39.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -115.34 30.24 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 28.0 mt-30 -54.89 -48.35 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -41.37 -29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.34 -33.22 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -66.27 83.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG12 ' HE2' ' A' ' 81' ' ' LYS . 33.7 m -95.58 -179.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -105.47 127.63 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.9 p -115.31 111.53 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -87.67 144.28 26.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -112.58 163.41 12.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.59 -26.35 61.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.18 7.98 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 64.5 47.35 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.0 m170 -135.05 121.38 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.457 ' OG ' HG11 ' A' ' 25' ' ' VAL . 95.0 p -89.3 141.53 28.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.4 m-85 -143.33 -179.5 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 56' ' ' CYS . 37.8 m80 -93.54 107.41 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -33.7 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' HIS . 25.0 p -73.27 -48.99 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' HIS . 72.4 m -64.96 -30.55 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -71.0 -49.26 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 61' ' ' VAL . 69.7 m -57.65 -32.3 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.05 -46.66 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 23.6 t-105 -58.34 -29.77 66.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -72.83 -25.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -54.01 -35.05 61.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -116.58 -39.27 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -126.16 99.11 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.42 38.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -139.27 135.63 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.2 t -46.83 122.27 7.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.6 mt -111.01 -46.93 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.4 p -120.72 12.45 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.18 38.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.61 152.96 22.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -42.52 102.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.438 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 67.2 t-105 -62.32 124.64 21.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.75 100.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.41 106.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.23 -59.06 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.0 ptm180 -150.39 161.2 42.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HG23 ' A' ' 44' ' ' VAL . 41.0 mt -143.03 147.87 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.71 142.7 7.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.623 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -172.77 123.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -165.47 177.5 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -164.72 32.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -159.35 165.47 33.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -160.39 155.7 24.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 -175.54 47.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ttt -131.6 114.98 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.74 138.27 41.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.7 p -142.93 144.5 32.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.61 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -91.73 -173.72 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.1 40.73 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.61 HG22 ' HD1' ' A' ' 11' ' ' TRP . 16.6 m -77.19 -25.56 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -67.16 142.14 57.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.49 44.53 2.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.718 ' O ' HG12 ' A' ' 25' ' ' VAL . 5.5 m-20 -130.03 43.18 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.8 t -41.18 112.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.93 -31.91 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.2 mt -48.44 -47.15 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.02 -7.38 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' CYS . 39.2 mmt-85 65.87 40.55 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 29' ' ' CYS . 60.7 t -123.9 142.59 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 26.6 mp0 -42.98 102.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 16' ' ' ASP . 8.0 p -42.82 -43.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.467 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.2 mtp -58.57 -37.02 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.68 172.64 7.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.36 156.77 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' HG11 ' A' ' 23' ' ' VAL . 29.7 p -79.94 169.74 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.74 -17.24 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -85.69 -31.43 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.0 m -89.48 -34.58 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.7 -37.82 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.89 -41.6 20.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.28 -14.58 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.91 39.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -115.74 27.48 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 21.0 mt-30 -53.03 -45.23 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -42.67 -33.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.11 -39.15 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.16 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 54' ' ' ASN . 27.2 m -109.07 174.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.601 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 85.2 t -101.32 113.55 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -103.62 115.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 24.0 m-90 -89.2 148.39 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.59 163.76 12.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.02 -28.05 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.32 6.91 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 64.55 51.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.594 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 49.6 m170 -138.9 126.81 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 95.7 p -94.02 138.06 32.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.2 m-85 -144.04 174.57 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.3 m80 -84.03 110.52 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.49 ' HB3' HG23 ' A' ' 42' ' ' VAL . 1.2 p-10 -37.79 -40.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -68.58 -48.66 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.7 m -63.22 -59.73 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -39.29 -49.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 61' ' ' VAL . 67.5 m -61.4 -33.67 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' CYS . 31.5 mt -79.18 -30.75 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 38.8 t-105 -70.71 -44.3 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 58' ' ' SER . 31.1 m -54.94 -27.32 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -55.47 -33.69 63.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -109.5 -45.69 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.5 m120 -127.2 111.45 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -85.43 39.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -146.57 138.41 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 35.1 t -48.88 123.26 11.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.8 6.92 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 9.1 mp -110.5 -46.44 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.3 p -124.28 12.69 8.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 35.2 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 70' ' ' CYS . 46.8 mt-30 -100.53 153.88 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.4 m-20 -46.38 97.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 68.5 t-105 -55.3 120.71 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.9 t -134.86 98.51 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -44.46 112.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.9 -55.38 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -151.03 161.0 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.81 143.0 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.82 176.0 19.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.8 m -37.33 -51.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -144.01 150.4 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.29 -156.16 6.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -121.4 99.26 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -138.12 143.47 40.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.3 150.47 25.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ptp -65.45 140.61 58.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -42.25 -59.02 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -55.48 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.643 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -108.51 -173.65 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.82 40.17 2.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.8 m -79.74 49.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -86.99 21.7 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.2 p -78.34 127.32 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 35.42 37.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m -73.06 117.37 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 42.5 t -41.39 109.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.65 -28.24 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mt -53.77 -47.97 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.68 -11.26 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 66.65 41.14 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' H ' ' A' ' 30' ' ' LEU . 61.5 t -127.17 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 24' ' ' GLN . 3.8 mp0 -40.69 106.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.1 p -46.55 -35.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.88 -37.23 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.35 168.07 10.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.37 150.05 48.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -69.34 168.63 13.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.0 mt -65.35 -14.62 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -86.28 -31.94 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.9 m -90.62 -36.48 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 34.2 mt-30 -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.85 -36.2 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -81.3 -7.0 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.13 41.57 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.22 25.24 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.7 mt-30 -54.42 -46.51 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -39.14 -38.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' HG13 ' A' ' 42' ' ' VAL . 21.1 t0 -84.14 -38.01 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.57 94.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 40' ' ' ASP . 26.9 m -104.52 175.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.49 119.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.78 HG23 HG12 ' A' ' 79' ' ' ILE . 14.7 p -108.37 111.75 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.4 m-90 -85.89 149.76 24.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.05 164.55 12.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.03 -32.23 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.98 -3.41 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 74.98 47.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.2 m170 -136.35 122.46 20.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 20.1 p -85.08 141.21 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 86.8 m-85 -143.9 -179.88 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.2 m80 -94.49 106.14 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.8 p-10 -33.94 -37.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.8 p -70.94 -48.28 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' HIS . 82.4 m -64.4 -42.23 96.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.549 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.5 tpt -61.01 -53.78 53.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 p -52.04 -33.14 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.62 -31.88 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 26.5 t-105 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -65.01 -24.69 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -57.54 -41.82 81.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -100.15 -41.69 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.9 m-20 -136.73 116.09 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -92.04 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -140.5 136.89 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLN . 21.9 t -47.02 121.84 7.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 74.9 mt -108.61 -46.51 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLN . 23.6 p -125.48 19.61 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' CYS . 5.8 pm0 30.57 41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' CYS . 31.7 mt-30 -100.23 154.3 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -45.05 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.549 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 52.2 t-105 -56.73 115.95 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 73' ' ' ASP . 87.7 t -132.49 99.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.52 103.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.97 -57.97 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -151.29 157.57 42.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.78 HG12 HG23 ' A' ' 44' ' ' VAL . 64.8 mt -132.11 148.69 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 136.23 178.74 16.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -124.72 83.92 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -148.16 113.77 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 107.47 2.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -92.38 140.85 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -168.42 163.74 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -146.51 8.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mtm -103.84 104.2 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -83.31 148.07 27.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' TRP . 23.4 p -92.35 126.83 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.529 ' CD1' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.08 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -103.69 -1.62 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.5 m -85.39 47.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -50.09 134.99 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -131.39 33.71 4.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.24 53.12 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m -142.0 118.31 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' ARG . 51.3 t -48.54 113.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.47 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 56' ' ' CYS . 37.8 mt -54.04 -45.18 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.92 -7.99 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' CYS . 32.6 mmt180 65.57 40.44 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -126.94 142.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 6.7 mp0 -41.02 104.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 26' ' ' MET . 9.0 p -43.93 -44.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.494 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.4 mmt -58.71 -35.91 73.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.42 167.34 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.33 149.24 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -73.19 171.21 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.67 -14.63 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -88.15 -30.7 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.57 -30.84 15.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 30.3 mt-30 -69.1 -26.69 65.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.68 -35.76 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -83.71 -5.39 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.01 42.79 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.2 22.35 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' CYS . 8.1 mp0 -52.97 -52.43 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -39.05 -32.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.02 -33.7 17.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.1 t -61.97 91.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.61 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.7 t -107.26 125.07 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.708 HG23 HG12 ' A' ' 79' ' ' ILE . 8.2 p -110.47 113.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.407 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 27.9 m-90 -87.96 143.5 27.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -109.78 165.21 12.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.59 -26.06 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.49 10.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.14 43.98 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.6 m170 -129.64 121.19 26.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 90.9 p -90.12 140.79 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.5 m-85 -143.34 -176.56 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 28.5 m170 -93.94 110.77 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -40.87 -36.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -71.97 -45.97 59.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' ILE . 87.2 m -65.71 -64.23 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.635 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.1 tpp -35.71 -63.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 51.1 p -41.73 -37.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' CYS . 15.3 mt -81.25 -47.31 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.495 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 22.3 t-105 -53.47 -37.36 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.1 m -65.77 -18.88 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -67.24 -22.8 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -116.64 -43.03 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -133.15 101.74 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.428 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 28.6 t30 -78.06 47.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 77.1 mtt-85 -150.43 133.95 16.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.2 t -45.27 123.36 5.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.722 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.68 6.37 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 10.9 mp -112.88 -41.77 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 10.5 p -124.76 13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.33 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 mt-30 -105.35 154.52 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.0 t70 -43.58 97.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 70.2 t-105 -59.81 126.52 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 73' ' ' ASP . 92.8 t -132.74 98.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 79' ' ' ILE . 95.7 t -50.07 102.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -58.48 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.52 157.34 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.708 HG12 HG23 ' A' ' 44' ' ' VAL . 25.8 mt -135.47 135.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.1 179.85 33.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -158.98 149.53 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -116.91 172.95 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -178.6 -44.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 71.4 m -35.16 111.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.811 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -122.13 105.06 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -165.3 -76.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.463 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' TRP . 4.2 ptp 32.67 49.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' MET . 11.6 m95 -33.05 132.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -87.81 131.36 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -89.93 -173.48 3.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -113.69 43.56 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.2 m -80.61 43.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -92.05 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -71.89 -174.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' THR . 8.6 t0 -80.17 36.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' ASP . 37.0 m -33.39 115.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 37.2 t -44.29 112.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.37 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 56' ' ' CYS . 26.7 mt -45.37 -46.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -118.01 -7.33 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.6 mmt180 65.27 37.7 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 29' ' ' CYS . 65.2 t -121.66 144.56 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -41.56 103.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG21 ' OG ' ' A' ' 51' ' ' SER . 3.2 p -45.97 -36.53 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.22 -35.08 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.83 173.94 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.59 154.6 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.554 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -79.72 166.57 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -13.36 13.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.67 -38.21 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.5 m -84.98 -30.94 23.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.2 mt-30 -66.67 -38.29 86.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.13 -38.31 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.52 -6.71 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.64 36.88 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -108.06 25.93 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.9 mt-30 -52.56 -46.99 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.7 tt0 -37.57 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.5 t70 -94.87 -39.67 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -58.82 91.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.41 173.66 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 62.0 t -95.68 109.23 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.6 p -98.59 114.84 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 31.7 m-90 -89.33 146.35 24.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.58 167.23 12.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.66 -29.17 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -72.2 -1.09 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 75.02 45.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.9 m170 -136.77 124.67 22.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 96.9 p -91.34 141.56 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 44' ' ' VAL . 96.4 m-85 -142.69 -178.37 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' CYS . 29.1 m80 -90.98 107.79 19.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -33.18 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -73.75 -48.75 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.4 m -64.57 -29.16 70.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.778 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.3 tpt -73.53 -46.88 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -65.13 -25.33 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.24 -35.97 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 14.7 t-105 -67.58 -36.71 81.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -62.11 -24.12 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -59.02 -43.15 91.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -96.71 -40.38 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -137.72 108.16 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -85.69 42.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -143.25 138.94 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLN . 17.1 t -49.02 123.36 12.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.81 7.57 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.2 mt -113.34 -47.0 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.5 p -119.68 11.77 12.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.99 37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' CYS . 27.4 mt-30 -104.32 155.09 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -42.73 100.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.6 t-105 -65.1 127.64 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 72.5 t -137.77 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -52.39 100.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' A' ' 78' ' ' ARG . 9.3 tt0 -74.95 -60.1 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -149.0 150.63 33.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.8 mt -119.45 139.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.24 150.19 6.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -95.72 95.21 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.805 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -95.76 102.18 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.34 113.94 0.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -101.13 41.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -148.46 112.86 5.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.32 -76.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.45 92.92 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.723 0.297 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -65.53 139.58 58.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -93.16 42.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.833 ' CZ2' HG12 ' A' ' 13' ' ' VAL . 1.5 t-105 -64.65 113.56 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' VAL . 62.5 m-20 -119.37 43.67 2.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.833 HG12 ' CZ2' ' A' ' 11' ' ' TRP . 26.7 m 34.46 42.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.23 22.81 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 t -127.31 123.45 36.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 17' ' ' THR . 9.1 t70 -123.43 47.06 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 16' ' ' ASP . 16.6 m -34.16 120.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 40.6 t -51.16 116.1 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.95 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.9 mt -47.27 -47.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.38 -5.84 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 13.5 mmm180 65.28 38.11 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -123.78 151.53 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 12.8 mp0 -49.92 104.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.76 -47.52 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.525 ' N ' HG13 ' A' ' 25' ' ' VAL . 12.3 mtp -57.07 -35.3 69.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -95.07 169.61 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.87 151.73 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.6 p -76.45 170.42 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.28 -14.34 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -89.8 -30.26 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.6 m -93.38 -27.03 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.458 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 27.1 mt-30 -70.8 -31.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.18 -32.5 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -91.3 2.16 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 m120 55.27 44.7 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -110.43 16.37 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.5 mp0 -44.69 -57.45 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 15.4 pt-20 -36.27 -31.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLN . 13.6 t70 -88.91 -39.03 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.4 t -62.52 82.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.1 -178.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 94.2 t -108.92 114.73 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -102.17 113.03 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.442 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 29.8 m-90 -86.61 138.65 31.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.84 171.71 22.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mm-40 -65.15 -28.36 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -80.7 14.44 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 63.65 38.15 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.1 m170 -123.19 121.35 35.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 77.1 p -94.3 142.7 27.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.7 m-85 -143.63 179.68 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.6 m80 -87.57 110.65 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.2 p-10 -37.96 -37.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.72 -47.69 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' HG21 ' A' ' 20' ' ' ILE . 92.1 m -61.29 -63.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.3 tpp -35.06 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 61' ' ' VAL . 12.3 t -52.47 -41.4 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' CYS . 54.1 mt -78.15 -31.17 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 22.7 t-105 -66.6 -36.79 83.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.4 m -68.22 -22.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -57.14 -29.85 63.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -118.02 -40.33 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 32.4 m-20 -136.23 111.63 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -90.08 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -141.1 131.15 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' GLN . 16.4 t -39.39 121.27 1.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 3.79 2.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.92 -46.95 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.5 p -124.03 22.27 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' CYS . 1.5 pm0 31.03 42.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.8 mt-30 -103.8 161.04 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.1 t0 -53.87 92.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.464 ' NE1' ' HG2' ' A' ' 57' ' ' MET . 57.9 t-105 -46.9 119.5 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.0 t -132.91 100.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 44' ' ' VAL . 96.2 t -51.48 105.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -79.5 -55.23 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -153.45 161.09 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 80' ' ' GLY . 54.5 mt -135.71 153.28 32.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 143.52 176.53 17.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t 41.98 42.65 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -112.47 125.35 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.21 127.43 2.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -145.3 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -171.99 147.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 132.22 3.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ttp -107.22 124.01 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' SER . 45.7 m95 -98.82 169.05 9.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TRP . 40.0 t -37.31 147.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -67.28 -173.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -114.02 40.82 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG22 ' HD1' ' A' ' 11' ' ' TRP . 21.7 m -73.15 1.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.38 6.46 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.1 m -103.58 -175.69 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.12 29.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 m -45.82 117.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' ARG . 44.3 t -45.18 112.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.01 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 56' ' ' CYS . 44.5 mt -47.82 -45.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -119.48 -9.37 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.7 mmm180 67.65 38.13 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.63 145.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -43.69 108.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 43' ' ' VAL . 4.9 p -49.24 -36.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.54 -34.15 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.08 174.73 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -76.28 150.59 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.57 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.75 -14.46 5.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.42 -39.55 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.6 m -82.12 -29.31 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.9 mt-30 -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.22 -39.61 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.34 -11.2 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 69.33 41.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.11 25.63 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 22.0 mt-30 -54.51 -51.18 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.18 -33.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 17.6 t70 -90.28 -40.86 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.85 90.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 40' ' ' ASP . 27.1 m -104.37 177.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.5 t -102.34 129.98 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 p -115.48 111.35 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 30.0 m-90 -87.55 139.55 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.39 160.36 13.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.07 -23.74 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.3 p -77.87 8.08 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.36 44.5 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 46.5 m170 -136.18 118.41 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.485 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 95.7 p -89.15 142.25 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.3 m-85 -144.48 -175.49 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.402 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 m170 -93.87 114.14 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.57 -40.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.6 p -67.81 -49.09 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' HB3' HG21 ' A' ' 20' ' ' ILE . 76.3 m -62.7 -60.66 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.621 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.6 tpt -42.05 -53.33 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -31.77 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.31 -53.11 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 19.6 t-105 -49.85 -44.89 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 57' ' ' MET . 16.1 m -55.79 -27.17 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -59.38 -40.78 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -94.32 -44.25 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.52 108.43 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 m120 -80.02 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 73.6 mtt180 -148.4 132.82 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.5 t -44.43 126.91 4.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.84 4.62 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.452 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 8.6 mp -110.45 -53.71 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 72' ' ' GLN . 5.4 p -104.06 7.64 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 33.34 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' CYS . 5.3 mm100 -119.79 164.93 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -39.89 110.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -83.2 118.8 23.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -123.45 116.67 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.11 105.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.21 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -151.45 157.35 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 44' ' ' VAL . 23.4 mt -127.86 145.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -175.65 34.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.294 -0.384 . . . . 0.0 110.91 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -53.08 -45.69 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -123.65 143.68 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.12 -51.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -147.71 123.78 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.06 175.09 43.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.9 mtp -147.29 117.15 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -59.11 124.96 21.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -146.04 123.91 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.677 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -115.01 -173.72 2.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.13 36.57 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.677 HG22 ' HD1' ' A' ' 11' ' ' TRP . 4.0 m -82.34 36.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -90.11 155.93 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 p -154.57 161.21 41.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 50.46 44.69 26.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 m -91.7 127.4 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.0 t -45.76 107.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.13 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 56' ' ' CYS . 17.7 mt -51.18 -46.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.32 -6.74 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 28.6 mmt85 64.66 39.71 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.6 151.66 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -48.49 109.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -50.64 -32.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mmm -72.68 -32.16 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.93 170.97 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 150.51 43.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.72 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.0 -15.33 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -88.72 -30.51 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.8 m -91.26 -31.2 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.48 -31.36 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.65 -36.93 15.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -86.2 -4.99 59.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 64.19 40.21 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -105.71 21.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.2 mp0 -51.14 -57.8 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.6 mt-10 -37.76 -33.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.66 -36.94 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.23 82.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -94.29 176.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.574 ' HB ' ' CH2' ' A' ' 45' ' ' TRP . 99.5 t -101.06 124.48 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.3 p -110.98 111.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 m-90 -88.89 140.39 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.67 169.74 14.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.13 -24.22 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.7 p -79.81 10.68 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 64.44 44.08 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 54.6 m170 -134.72 122.37 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.532 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 37.5 p -94.36 143.58 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 50' ' ' HIS . 97.1 m-85 -142.93 -175.04 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -92.54 112.35 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -39.17 -37.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.8 -47.98 56.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.5 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.8 m -65.34 -57.94 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.721 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.95 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -78.24 -32.63 49.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' CYS . 56.3 mt -86.37 -10.38 54.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 12.9 t-105 -95.69 -40.89 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 57' ' ' MET . 19.8 m -56.32 -27.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 15.0 pttm -55.23 -46.98 75.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.6 pt20 -87.27 -41.37 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 10.2 m-20 -143.15 113.87 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 3.7 p-10 -82.87 41.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -137.3 152.28 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 71' ' ' GLN . 8.8 t -63.0 124.26 83.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.73 7.24 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -115.28 -43.23 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLN . 22.3 p -122.91 11.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.9 mt-30 -105.87 153.46 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.3 t0 -40.79 98.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.501 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 61.8 t-105 -58.51 124.93 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 73' ' ' ASP . 65.4 t -134.91 106.3 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.32 116.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -89.71 -60.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 5.2 ptp180 -152.17 157.28 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -136.87 134.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.75 146.22 5.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -85.02 46.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -103.04 -58.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.61 -176.83 2.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -106.24 42.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.818 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -99.81 -56.12 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.45 -175.73 43.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptm -124.05 126.6 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.311 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -62.06 140.47 58.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 m -116.91 95.39 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -91.11 -173.43 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -115.69 29.01 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 11' ' ' TRP . 11.6 m -59.11 -21.8 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -71.29 141.91 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 m -97.96 93.02 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -133.71 44.95 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m -145.06 110.03 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.5 t -40.04 112.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.9 mt -54.7 -50.03 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -111.87 -13.82 13.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.3 mmm180 71.46 37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.21 151.23 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -47.01 105.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 43' ' ' VAL . 2.6 p -47.54 -32.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.9 mmm -70.09 -34.42 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -96.37 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -75.18 148.85 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -76.44 160.79 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.38 -14.81 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -86.08 -40.14 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' ASN . 69.0 m -80.76 -36.7 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -60.84 -32.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.2 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.44 -2.15 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' CYS . 12.9 t-20 65.11 36.38 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -89.15 20.5 3.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 27.3 mt-30 -47.7 -46.35 29.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -46.42 -28.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.49 -34.86 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.03 97.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 m -116.12 -178.74 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 25' ' ' VAL . 51.1 t -99.96 127.89 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 79' ' ' ILE . 4.7 p -114.28 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -89.73 139.77 30.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.96 168.8 13.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.44 -24.22 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 9.9 p -88.79 21.52 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 1.6 p-10 49.43 39.33 16.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.5 m170 -116.71 117.28 29.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 p -81.49 138.17 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 75.8 m-85 -143.83 -178.97 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -91.34 107.98 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.11 -37.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.3 p -72.56 -47.53 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.7 m -64.2 -58.82 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.617 ' SD ' HG13 ' A' ' 61' ' ' VAL . 18.8 tpp -38.9 -59.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.5 p -45.67 -33.23 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' CYS . 26.4 mt -84.45 -50.22 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.481 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 35.0 t-105 -47.92 -46.46 31.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' SD ' ' A' ' 57' ' ' MET . 18.6 m -56.64 -24.9 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' HA ' ' A' ' 59' ' ' LEU . 7.4 mtpm? -59.23 -33.46 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 2.9 pt20 -106.68 -40.68 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 71.2 m-20 -134.65 107.14 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 1.6 m-80 -82.09 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 28.7 mtt180 -146.82 133.83 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' GLN . 9.5 t -46.94 122.77 7.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.75 5.77 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.5 mp -111.87 -42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.7 p -122.1 12.1 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.43 36.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.3 154.99 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.9 t70 -42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLN . 62.1 t-105 -55.55 126.31 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 73' ' ' ASP . 46.5 t -134.82 100.29 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 79' ' ' ILE . 90.2 t -53.65 113.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -84.71 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -154.44 159.45 41.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -134.49 145.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.73 174.64 26.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.904 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -149.7 153.61 37.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 t -174.57 147.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.3 138.31 3.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -134.84 153.92 51.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -124.36 176.25 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.26 146.2 4.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -141.64 166.76 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -116.44 158.81 22.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -115.68 159.11 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.979 ' CH2' HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -64.45 120.88 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -131.31 37.17 3.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.979 HG23 ' CH2' ' A' ' 11' ' ' TRP . 16.1 m -129.33 44.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mm-40 -33.52 129.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 m -148.33 -175.52 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.83 30.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -62.67 123.72 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.8 t -46.48 111.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.99 65.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 56' ' ' CYS . 38.5 mt -49.38 -43.2 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.45 -6.95 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.1 mmm180 64.45 38.5 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 24' ' ' GLN . 88.5 t -120.61 154.09 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' N ' HG12 ' A' ' 23' ' ' VAL . 67.3 mm-40 -53.8 106.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 51' ' ' SER . 5.0 p -46.24 -41.51 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.15 -34.8 74.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -98.78 173.83 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.82 158.85 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.98 173.08 12.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.15 -15.0 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -87.27 -30.5 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.5 m -92.48 -34.77 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.0 -33.96 77.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.21 -37.05 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.69 -4.76 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 63.24 39.7 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 26.26 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -55.03 -42.45 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -42.93 -34.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.2 t0 -87.67 -40.02 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.77 95.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 40' ' ' ASP . 35.6 m -110.3 176.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 88.0 t -99.6 116.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.7 p -101.41 114.12 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -88.14 138.02 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.13 161.45 13.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.59 -22.63 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 p -79.61 7.07 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.16 46.55 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.0 m170 -135.93 121.67 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 58.0 p -86.83 140.38 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 94.5 m-85 -143.07 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -95.16 113.28 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.79 -39.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.78 -48.0 64.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.455 ' HB3' HG21 ' A' ' 20' ' ' ILE . 94.6 m -62.42 -62.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.779 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -42.06 -48.32 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 55.7 m -55.15 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.2 mt -86.4 -53.18 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 9.0 t-105 -49.67 -41.7 43.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -58.13 -23.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.68 -47.35 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -38.27 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 7.2 m120 -129.01 100.25 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -81.15 41.02 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -146.2 132.98 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.7 t -41.81 123.24 2.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.77 3.02 3.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -106.39 -44.07 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' GLN . 6.4 p -117.66 12.34 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.5 pm0 31.38 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' CYS . 14.5 mm-40 -115.17 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' OD2' HG23 ' A' ' 75' ' ' VAL . 19.3 t70 -40.25 116.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 59.1 t-105 -88.11 119.1 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 73' ' ' ASP . 89.3 t -127.05 117.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 79' ' ' ILE . 84.1 t -64.84 97.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -67.08 -57.98 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -154.04 155.64 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.41 HD11 HG11 ' A' ' 76' ' ' VAL . 32.8 mt -126.13 140.99 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.49 164.81 12.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.453 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.305 -0.379 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -134.01 169.76 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -125.36 150.05 47.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.28 -166.22 18.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -148.97 133.71 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -96.76 112.78 24.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.33 157.19 17.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mmt -134.26 145.71 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -89.49 164.92 14.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -130.66 134.83 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -107.14 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 1.4 p-10 -78.51 45.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 11' ' ' TRP . 4.5 m -45.85 -23.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -111.3 125.99 54.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.25 85.3 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.659 ' O ' HG12 ' A' ' 25' ' ' VAL . 3.3 m-20 -129.67 60.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 23' ' ' VAL . 9.0 m -129.92 129.25 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.2 t -50.49 112.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -29.64 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 56' ' ' CYS . 25.6 mt -51.89 -44.73 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.6 -7.78 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmt180 65.95 40.1 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.632 HG21 ' H ' ' A' ' 30' ' ' LEU . 60.1 t -123.62 143.19 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 10.4 mp0 -45.08 106.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 16' ' ' ASP . 6.2 p -46.97 -32.94 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mmt -66.48 -34.63 78.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.9 173.82 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.589 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . . . -74.25 145.03 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.612 ' HA ' HG11 ' A' ' 23' ' ' VAL . 31.6 p -65.6 165.11 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.632 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.1 mt -62.33 -17.82 59.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -82.25 -30.37 30.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.7 m -89.62 -42.48 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.39 -28.65 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.43 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 37' ' ' LYS . 59.1 mt-10 -89.47 2.11 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 60.92 45.75 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 35' ' ' GLU . 21.6 mtpt -119.1 18.56 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.589 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -57.36 -45.33 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.11 -29.45 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.3 -27.52 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -64.98 82.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -88.77 -178.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.4 t -110.22 121.83 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.5 p -106.73 111.91 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -85.06 137.72 32.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -103.17 162.69 15.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -31.53 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.05 -1.56 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 73.55 46.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.2 m170 -132.5 125.64 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG21 ' A' ' 25' ' ' VAL . 69.2 p -85.94 138.4 32.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 96.5 m-85 -143.68 177.25 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.429 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 33.0 m80 -92.16 112.85 24.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -42.67 -38.27 1.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.35 -44.69 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 79.9 m -67.37 -60.7 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.746 ' SD ' HG13 ' A' ' 61' ' ' VAL . 12.5 tpp -39.08 -62.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -42.9 -33.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.38 -30.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 28.1 t-105 -68.7 -31.7 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.746 HG13 ' SD ' ' A' ' 57' ' ' MET . 5.5 m -71.07 -20.42 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -65.49 -25.3 67.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -115.63 -42.07 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -136.59 108.29 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 11.4 p-10 -83.96 40.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 32.2 mtt-85 -143.92 130.94 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLN . 13.1 t -42.6 124.27 2.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.673 0.749 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.2 Cg_endo -69.85 5.26 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 83.8 mt -111.9 -43.11 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.2 p -119.21 9.04 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.2 34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' CYS . 15.0 mt-30 -109.27 154.96 21.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' GLN . 11.4 t0 -37.15 103.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.557 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 54.3 t-105 -74.6 126.0 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.73 126.55 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 44' ' ' VAL . 56.0 t -68.29 103.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -76.26 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -154.08 160.35 41.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 44' ' ' VAL . 25.6 mt -132.76 154.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.425 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 144.51 166.56 11.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 119.314 -0.374 . . . . 0.0 110.909 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -98.0 88.51 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -83.29 -57.6 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.3 119.02 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -123.88 128.93 50.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -63.18 167.95 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.05 87.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.8 mtt -100.57 87.5 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.332 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -73.95 134.84 43.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.4 t -57.54 155.14 10.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.718 ' CD1' HG13 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -105.58 -12.27 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 52.51 47.22 25.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.718 HG13 ' CD1' ' A' ' 11' ' ' TRP . 12.7 m -72.52 -23.53 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.1 tm-20 -69.45 136.2 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 91.3 m -133.66 93.51 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -134.42 41.3 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -84.43 130.12 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.6 t -48.44 109.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -27.23 63.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.9 mt -53.88 -46.31 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.18 -6.98 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.2 mmt180 64.23 41.06 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 28' ' ' ALA . 46.4 t -124.89 147.58 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ASP . 6.1 mm-40 -46.2 103.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.533 HG21 ' OG ' ' A' ' 51' ' ' SER . 4.7 p -41.43 -48.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.497 ' N ' HG13 ' A' ' 25' ' ' VAL . 77.6 mmm -57.95 -34.04 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' GLN . 89.0 m-20 -94.81 172.53 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -74.4 156.59 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.2 p -80.64 175.3 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.26 -14.39 62.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.02 -29.65 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.42 -30.58 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 23.0 mt-30 -68.05 -34.72 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.46 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -84.92 -4.16 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 62.36 40.32 11.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -108.82 21.06 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' CYS . 18.7 mt-30 -51.37 -51.06 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -39.28 -33.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -90.7 -35.21 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.9 t -62.8 89.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -103.12 179.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.9 t -104.47 122.07 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.8 p -111.01 111.73 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -80.54 142.34 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.95 158.61 15.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.38 -28.03 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.66 8.02 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 66.52 45.06 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -133.38 119.67 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.533 ' OG ' HG21 ' A' ' 25' ' ' VAL . 71.6 p -84.57 141.43 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.2 m-85 -143.97 179.76 6.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' CYS . 31.5 m80 -93.42 105.91 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -35.19 -40.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -67.83 -48.71 65.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' LEU . 76.3 m -63.21 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 61' ' ' VAL . 11.2 tpp -35.49 -61.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -44.15 -37.49 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.4 mt -82.45 -35.92 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 24.3 t-105 -61.59 -39.64 91.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' A' ' 57' ' ' MET . 13.1 m -60.37 -29.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.78 -36.02 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 14.3 pt20 -109.02 -40.77 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 67.4 m-80 -134.02 104.93 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -83.34 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -145.21 133.57 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.6 t -40.39 121.14 1.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 6.68 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 mt -110.24 -47.33 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.2 p -122.21 15.1 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER 33.88 41.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' TRP . 28.2 mt-30 -106.97 151.83 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.11 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' GLN . 63.9 t-105 -60.35 122.43 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.24 103.21 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 79' ' ' ILE . 98.3 t -47.85 107.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -87.94 -57.79 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 79' ' ' ILE . 10.4 mmm180 -131.45 161.68 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 76' ' ' VAL . 37.9 mt -143.88 132.98 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.2 -166.83 23.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 119.243 -0.408 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -75.75 165.85 24.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -90.77 144.41 25.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.49 150.58 31.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -121.34 139.17 53.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -140.64 129.93 23.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.79 137.8 3.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.2 mmm -143.94 156.56 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.734 0.302 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -85.4 146.55 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 p -137.53 155.02 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.1 -172.12 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' O ' ' C ' ' A' ' 13' ' ' VAL . 2.6 m-20 -94.22 -44.02 8.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' C ' ' O ' ' A' ' 12' ' ' ASP . 30.1 m 28.93 45.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' ASP . 12.6 pt-20 -97.32 136.06 38.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 m -149.81 164.19 35.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 49.69 28.42 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -66.07 123.23 19.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.1 t -44.01 108.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.26 62.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.2 mt -56.54 -47.93 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.16 -7.81 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 24.9 mmt85 64.94 38.77 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 24' ' ' GLN . 98.1 t -122.85 153.8 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 23' ' ' VAL . 38.0 mm-40 -52.87 106.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG11 ' OG ' ' A' ' 51' ' ' SER . 3.1 p -46.23 -36.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.62 -38.45 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.38 163.15 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.81 149.72 48.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.53 166.71 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.96 -15.17 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -86.87 -30.56 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.3 m -91.13 -34.11 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.404 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.2 mt-30 -66.17 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.9 -41.19 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -76.67 -14.13 59.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.61 40.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -117.6 30.89 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.79 -43.96 90.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -42.12 -35.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -86.97 -39.49 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 95.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -112.02 177.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 25' ' ' VAL . 85.4 t -95.84 120.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -107.29 112.27 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -89.98 128.4 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -98.2 162.03 20.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.99 -24.06 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.0 p -77.6 6.37 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.43 48.83 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.474 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -136.66 122.01 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.53 ' OG ' HG11 ' A' ' 25' ' ' VAL . 92.9 p -85.06 138.52 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 88.3 m-85 -143.89 -175.64 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.3 m80 -97.37 110.68 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -36.34 -39.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -69.97 -45.8 66.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' HIS . 98.6 m -63.84 -57.14 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.617 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.0 tpt -48.58 -46.78 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -57.37 -33.1 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -84.86 -32.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 42.1 t-105 -70.61 -45.07 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 57' ' ' MET . 31.0 m -55.33 -18.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -69.26 -39.03 78.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -96.08 -38.7 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.501 ' ND2' ' HE1' ' A' ' 60' ' ' TRP . 7.8 t30 -140.09 120.14 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -80.05 14.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 64' ' ' ASN . 84.9 mtt180 -114.66 159.86 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 43.5 t -74.26 131.17 81.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.8 Cg_endo -69.82 5.7 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.1 mp -113.88 -45.64 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 71' ' ' GLN . 6.4 p -117.66 10.75 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.59 38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.17 176.5 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.86 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.48 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.7 t-105 -63.35 126.53 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.24 108.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 HD11 ' A' ' 79' ' ' ILE . 89.2 t -49.24 117.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.75 -54.43 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -137.89 161.92 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.405 HD11 HG11 ' A' ' 76' ' ' VAL . 96.2 mt -145.79 136.91 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.26 -177.37 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -70.53 174.83 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -132.82 92.63 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.89 176.37 2.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -142.47 137.03 30.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -94.99 144.08 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.76 147.27 16.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptm -98.58 179.02 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.28 175.71 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -65.66 172.5 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -54.49 -173.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.56 44.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.7 m -80.43 46.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -110.05 20.56 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -94.96 -174.74 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 17' ' ' THR . 11.3 t70 -80.28 34.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 16' ' ' ASP . 20.0 m -31.59 117.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ARG . 39.9 t -43.38 113.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 -31.16 64.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.6 mt -51.44 -45.66 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.59 -8.86 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.3 mmm180 65.1 41.07 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.68 146.12 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -43.19 103.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 26' ' ' MET . 3.6 p -43.23 -47.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 25' ' ' VAL . 19.3 mmt -56.06 -35.04 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.75 170.12 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.71 150.06 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -71.25 160.2 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.36 -15.46 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.24 -37.38 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.09 -37.04 22.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.77 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.79 4.44 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 57.65 39.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -92.04 14.84 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 25.6 mt-30 -44.58 -48.09 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -39.76 -34.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.67 -37.84 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.31 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.67 173.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.5 118.17 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -105.55 116.53 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.9 m-90 -90.16 142.61 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -108.75 160.7 13.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.66 -27.36 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.4 p -72.9 -2.28 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 74.8 45.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -135.64 126.21 26.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -86.82 140.1 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 82.1 m-85 -143.5 -175.11 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 26.7 m170 -95.63 110.93 22.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -38.31 -39.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -69.74 -47.79 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LEU . 77.2 m -65.45 -57.04 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -41.84 -44.51 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' CYS . 74.6 mt -82.92 -23.89 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 53.4 t-105 -77.53 -42.65 34.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' SD ' ' A' ' 57' ' ' MET . 16.2 m -55.78 -13.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -102.55 -39.12 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -140.7 120.29 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.25 14.88 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -115.09 166.77 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' GLN . 51.0 t -77.8 129.41 76.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 6.46 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 93.0 mt -114.49 -42.21 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 11.7 p -123.52 11.94 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.01 35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.5 mt-30 -105.9 154.63 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -41.72 102.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 66.5 t-105 -70.47 135.7 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -146.3 108.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.799 HG11 HD11 ' A' ' 79' ' ' ILE . 78.8 t -49.17 108.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -91.1 -57.45 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' C ' HG13 ' A' ' 79' ' ' ILE . 3.4 mmm180 -131.43 161.61 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.799 HD11 HG11 ' A' ' 76' ' ' VAL . 86.8 mt -150.26 133.81 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 81' ' ' LYS . . . 110.01 138.42 8.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' GLY . 1.3 mptm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -95.35 88.97 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -85.25 176.7 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.61 -169.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -92.11 -56.69 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -155.78 148.4 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 43.26 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -169.42 125.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -65.51 172.95 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -70.3 177.91 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.538 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -110.26 -173.05 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -115.19 35.9 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG22 ' HD1' ' A' ' 11' ' ' TRP . 33.8 m -62.02 -28.23 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -137.5 131.63 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.91 31.89 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' O ' ' CG1' ' A' ' 25' ' ' VAL . 6.3 t0 -132.56 53.46 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -87.14 120.94 28.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -43.89 106.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.96 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 56' ' ' CYS . 14.4 mt -52.26 -52.68 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.41 -6.81 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.4 mmm180 64.29 39.76 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 24' ' ' GLN . 99.8 t -120.64 156.89 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' N ' HG12 ' A' ' 23' ' ' VAL . 9.9 mm100 -54.47 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 43' ' ' VAL . 7.0 p -45.06 -34.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.9 mtp -68.05 -37.01 80.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -96.2 171.71 8.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.793 ' HB3' ' NE2' ' A' ' 38' ' ' GLN . . . -71.81 157.02 38.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.14 162.94 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.12 -14.86 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.11 -33.96 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.8 m -88.08 -29.79 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.956 ' HG2' HE22 ' A' ' 38' ' ' GLN . 55.2 mt-30 -65.07 -39.1 92.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.43 64.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -82.3 -14.76 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 71.9 38.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -103.15 28.03 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.956 HE22 ' HG2' ' A' ' 33' ' ' GLN . 4.9 mm100 -44.92 -54.55 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -45.36 -33.36 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.13 -34.26 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.97 85.49 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -99.39 176.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 25' ' ' VAL . 60.9 t -101.03 117.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -105.84 111.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 78' ' ' ARG . 26.5 m-90 -80.41 150.77 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.4 158.52 14.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.1 -28.77 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.375 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.79 5.18 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 69.87 43.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.4 m170 -130.89 123.29 28.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 82.9 p -91.18 140.8 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.1 m-85 -142.88 176.97 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 30.9 m80 -88.31 112.04 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -37.55 -41.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.15 -47.83 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.439 ' HB3' HD13 ' A' ' 20' ' ' ILE . 87.0 m -63.43 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.6 tpt -42.64 -44.97 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -57.88 -33.78 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.5 mt -85.47 -35.63 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.552 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 18.2 t-105 -66.54 -46.72 75.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -55.62 -24.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -61.31 -37.67 84.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -99.32 -43.84 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -131.68 107.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -80.58 44.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -146.41 137.3 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' GLN . 23.0 t -50.06 123.74 16.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.81 6.1 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.669 2.246 . . . . 0.0 112.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -109.99 -44.85 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.1 p -128.42 19.68 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.2 pm0 30.5 40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -102.73 150.19 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.4 m-20 -40.52 97.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 60.9 t-105 -58.49 119.66 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 73' ' ' ASP . 84.6 t -134.46 103.39 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 79' ' ' ILE . 87.6 t -48.93 109.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 78' ' ' ARG . 12.3 tt0 -90.42 -49.67 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 15.1 mtt-85 -141.53 161.7 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 76' ' ' VAL . 90.9 mt -144.63 139.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.76 175.24 14.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -102.91 165.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -134.21 149.51 51.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.91 -166.95 14.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -125.34 178.86 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -42.91 -51.92 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.22 -96.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 ttm -138.64 141.24 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -99.34 85.84 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -71.71 166.07 22.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.741 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -123.01 -10.06 8.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 50.64 45.93 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.741 HG13 ' CD1' ' A' ' 11' ' ' TRP . 14.2 m -71.0 -20.48 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.576 ' HG2' HG23 ' A' ' 13' ' ' VAL . 7.2 mm-40 -99.18 17.16 20.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 76.3 m -140.19 134.65 31.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 2.1 p30 34.6 54.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -135.03 131.97 37.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' ARG . 50.7 t -50.79 108.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -4.86 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mt -81.09 -47.17 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -116.32 -7.5 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' CYS . 25.3 mmt180 65.48 39.62 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -126.82 144.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.76 104.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -46.61 -32.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 mmt -69.78 -34.46 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.81 171.46 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.648 ' HB3' ' NE2' ' A' ' 38' ' ' GLN . . . -71.64 147.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -74.69 160.9 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.1 -16.3 2.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -87.39 -30.62 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -93.12 -23.89 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.98 ' HG2' HE22 ' A' ' 38' ' ' GLN . 59.5 mt-30 -70.37 -35.6 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.74 47.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.82 -11.21 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 70.32 37.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -100.81 27.17 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.98 HE22 ' HG2' ' A' ' 33' ' ' GLN . 4.6 mm100 -45.04 -59.45 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.03 -28.27 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.88 -35.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.17 85.7 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 81' ' ' LYS . 35.4 m -94.14 175.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 25' ' ' VAL . 80.6 t -100.37 120.67 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -106.52 111.53 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 80' ' ' GLY . 31.2 m-90 -83.77 145.42 28.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.66 158.86 14.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.75 -25.24 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.3 p -82.08 14.5 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.48 42.91 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.5 m170 -130.92 127.93 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.458 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 53.7 p -99.96 142.2 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.6 m-85 -143.76 -178.17 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' CYS . 33.5 m80 -91.34 107.51 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -33.24 -38.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -71.63 -48.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' HIS . 85.0 m -64.13 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 tpt -69.27 -48.29 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 m -57.61 -28.33 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -94.12 -31.26 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 5.1 t-105 -70.75 -44.91 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' MET . 29.5 m -55.78 -27.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -57.91 -43.56 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -92.16 -43.73 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.03 107.77 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -82.17 45.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -144.75 139.16 27.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' GLN . 32.7 t -49.26 124.84 14.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.74 7.34 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -114.61 -47.83 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.503 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.8 p -120.07 16.55 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 70' ' ' CYS . 4.8 pm0 30.03 39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' CYS . 7.7 mt-30 -108.15 154.9 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLN . 35.7 t70 -37.38 103.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -69.17 126.38 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.2 t -138.65 110.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 79' ' ' ILE . 87.8 t -57.11 105.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.92 -60.5 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 79' ' ' ILE . 6.3 mmp_? -130.72 161.63 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 76' ' ' VAL . 63.8 mt -144.81 134.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' CH2' ' A' ' 45' ' ' TRP . . . 134.94 170.51 12.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.551 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.823 0.344 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 54.0 t -49.39 107.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.52 -28.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.5 mt -51.88 -48.08 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -117.65 -8.84 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.7 mmm180 65.71 38.56 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.66 147.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -47.81 102.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 51' ' ' SER . 3.2 p -44.55 -30.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -67.32 -37.59 83.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.24 174.94 6.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -72.36 151.98 42.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -75.41 173.07 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.06 -14.24 61.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -90.72 -28.24 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.2 m -92.93 -33.09 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 37.5 mt-30 -66.6 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.56 -36.83 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.79 -8.14 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.05 43.47 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -110.58 23.17 14.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mp0 -47.07 -58.8 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 34.7 tt0 -37.1 -31.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' GLN . 7.9 t70 -88.2 -38.92 14.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -62.17 88.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.525 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.8 m -99.11 176.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 25' ' ' VAL . 93.5 t -103.28 130.97 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.0 p -116.1 112.09 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -85.66 144.82 27.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 163.72 12.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.16 -26.63 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.07 7.51 7.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 64.33 46.7 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.9 m170 -132.11 119.18 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' HG21 ' A' ' 25' ' ' VAL . 12.6 p -83.94 141.72 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 85.4 m-85 -143.57 179.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' CYS . 23.0 m80 -93.06 108.28 19.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.525 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -37.03 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.74 -47.66 37.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.635 ' HB3' HG21 ' A' ' 20' ' ' ILE . 95.5 m -62.62 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.695 ' SD ' HG13 ' A' ' 61' ' ' VAL . 13.7 tpp -38.12 -55.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -49.82 -37.36 30.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' CYS . 20.5 mt -84.29 -26.24 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 47.0 t-105 -71.23 -48.02 53.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG13 ' SD ' ' A' ' 57' ' ' MET . 12.7 m -55.75 -25.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.45 -31.45 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -110.62 -43.4 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -134.05 102.29 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.79 45.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -147.03 132.13 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.5 t -43.83 122.75 3.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.76 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -111.69 -43.71 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLN . 18.0 p -123.58 13.15 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.49 38.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -105.0 153.52 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.4 t0 -43.06 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -59.99 124.28 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 73' ' ' ASP . 86.0 t -133.91 100.27 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.68 100.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.69 -55.9 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -153.29 153.78 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.9 mt -125.35 144.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.83 175.01 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.811 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 36.4 t -42.4 112.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.16 -34.15 70.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 56' ' ' CYS . 16.7 mt -47.05 -48.4 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -114.92 -10.6 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 67.87 40.73 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -126.23 153.31 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 23' ' ' VAL . 65.5 mm-40 -50.14 105.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.1 -47.07 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 25' ' ' VAL . 62.9 mmm -58.59 -34.9 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.73 168.13 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.45 148.67 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.63 168.48 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.54 -14.73 58.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -85.41 -33.83 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.58 -40.93 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.5 mt-30 -59.17 -30.69 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.65 -43.25 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.34 1.99 56.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 59.73 41.95 17.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -100.6 16.41 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ASP . 22.8 mp0 -44.06 -54.13 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' GLN . 42.8 mt-10 -32.7 -35.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -90.04 -41.45 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -57.87 87.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ASP . 31.5 m -101.67 174.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 97.5 t -98.05 125.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 HG12 ' A' ' 79' ' ' ILE . 7.3 p -110.35 113.12 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.469 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 22.9 m-90 -89.38 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.51 169.03 13.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.23 -25.43 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.9 5.55 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 67.8 44.72 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.0 m170 -134.72 122.33 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.449 ' OG ' HG21 ' A' ' 25' ' ' VAL . 54.0 p -91.04 142.57 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 97.3 m-85 -143.71 -175.64 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 26.8 m170 -94.04 111.44 23.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.78 -38.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.82 -48.12 55.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 20' ' ' ILE . 85.1 m -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 tpt -43.88 -48.36 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -55.72 -31.03 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.33 -36.16 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 11.7 t-105 -67.63 -39.96 84.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 57' ' ' MET . 27.8 m -64.72 -22.69 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -57.3 -34.15 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -112.37 -42.9 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -123.32 102.31 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -82.84 47.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -147.1 135.52 21.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.4 t -48.34 122.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.78 7.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 8.6 mp -112.73 -41.61 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.4 p -126.6 14.54 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 32.66 40.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.4 mt-30 -106.51 156.03 18.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.4 t0 -44.43 98.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.19 122.95 14.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 73' ' ' ASP . 64.2 t -134.44 104.48 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 79' ' ' ILE . 89.8 t -55.26 97.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -70.21 -55.66 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.1 ptp85 -154.55 158.93 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.714 HG12 HG23 ' A' ' 44' ' ' VAL . 36.0 mt -142.74 144.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.96 152.85 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.88 0.371 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.7 t -43.74 107.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.56 64.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 56' ' ' CYS . 11.8 mt -54.73 -52.31 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -111.67 -9.48 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 66.69 40.01 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -124.7 148.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -47.93 107.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.5 p -46.41 -37.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.38 -37.3 86.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.85 165.67 12.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -69.03 149.49 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.3 168.95 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.46 -15.94 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 -86.97 -32.06 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -91.56 -25.25 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.87 -25.73 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.88 11.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -0.74 57.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 61.03 43.71 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -105.48 18.11 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 26.6 mt-30 -50.59 -53.88 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -37.3 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.92 -37.64 13.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.17 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 81' ' ' LYS . 36.0 m -109.7 178.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 25' ' ' VAL . 63.9 t -103.47 116.58 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.79 112.87 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CZ3' ' O ' ' A' ' 80' ' ' GLY . 30.6 m-90 -84.7 146.39 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -111.73 169.67 13.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -62.91 -26.57 68.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.74 10.76 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 64.06 42.27 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.407 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 56.4 m170 -128.76 118.87 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.589 ' HB2' HG21 ' A' ' 25' ' ' VAL . 10.6 p -87.52 142.2 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 92.8 m-85 -140.94 -177.93 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' CYS . 24.4 m170 -94.57 107.19 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -72.86 -48.32 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.2 m -67.05 -59.41 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.71 -40.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 61' ' ' VAL . 38.6 m -68.74 -34.93 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' CYS . 76.1 mt -79.68 -27.87 40.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.46 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 32.2 t-105 -72.6 -44.52 61.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 57' ' ' MET . 23.5 m -58.38 -19.95 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.86 -27.35 69.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -115.32 -40.68 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 79.7 m-20 -137.19 106.2 5.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.32 45.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -144.77 134.88 24.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.7 t -46.33 122.27 6.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.79 5.56 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.1 mt -110.6 -43.02 3.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 14.3 p -123.68 13.25 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.09 37.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.02 151.34 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.05 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 64.5 t-105 -64.02 121.01 13.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.6 t -129.12 104.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 79' ' ' ILE . 94.0 t -54.63 99.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.56 -57.03 4.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' NH1' ' CD2' ' A' ' 45' ' ' TRP . 16.6 ptt85 -152.07 160.49 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.439 HD11 HG11 ' A' ' 76' ' ' VAL . 19.5 mt -133.61 140.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.466 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 145.24 177.7 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.415 ' HD2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 45.4 t -42.04 110.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.22 71.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.4 mt -47.31 -51.32 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.2 -9.63 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 15.3 mmt180 69.14 39.3 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' H ' ' A' ' 30' ' ' LEU . 58.5 t -124.95 143.12 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -42.65 108.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 26' ' ' MET . 7.1 p -47.11 -45.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.482 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.3 mtp -57.26 -36.55 71.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -96.28 163.91 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -67.95 151.6 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.436 ' HA ' HG11 ' A' ' 23' ' ' VAL . 28.5 p -74.86 158.09 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' H ' HG21 ' A' ' 23' ' ' VAL . 19.4 mt -54.76 -16.36 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -84.1 -38.6 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 56.1 m -82.52 -38.86 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.8 mt-30 -61.7 -37.34 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -97.47 -4.69 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' CYS . 55.9 t30 64.5 36.13 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -95.29 23.07 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.6 mt-30 -47.72 -46.0 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -39.05 -27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' GLN . 27.3 t70 -98.03 -40.15 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -61.04 93.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.597 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 35.6 m -106.41 -178.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -102.05 114.15 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.27 117.72 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.499 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.6 m-90 -95.93 145.56 25.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.02 163.1 12.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.47 -24.43 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.6 7.65 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 64.3 47.95 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -135.36 120.73 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 34.2 p -89.8 140.09 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.6 m-85 -144.15 -175.91 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' CYS . 30.3 m170 -93.05 107.0 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -33.04 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -74.27 -48.26 29.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.607 ' HB3' HG21 ' A' ' 20' ' ' ILE . 71.0 m -65.47 -39.25 91.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -63.03 -43.84 97.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -67.23 -34.77 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 62' ' ' LYS . 13.4 mt -80.37 -31.55 37.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 24.5 t-105 -67.69 -46.89 70.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.75 -25.39 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.425 ' HE2' HD23 ' A' ' 59' ' ' LEU . 51.4 mttm -51.29 -33.9 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.97 -36.19 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 69.4 m-20 -133.62 102.25 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -81.89 36.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -137.29 133.38 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.2 t -44.54 122.33 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 6.25 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 47.9 mt -110.54 -45.27 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 16.5 p -120.88 12.15 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.19 37.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.6 mt-30 -107.64 152.18 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -38.7 106.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.498 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 68.7 t-105 -67.52 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.92 107.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.06 108.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -83.0 -54.06 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -154.46 160.24 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -137.2 148.36 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.32 19.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.4 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.896 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' ARG . 29.2 t -46.24 107.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.83 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' CYS . 61.1 mt -47.07 -45.86 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 23' ' ' VAL . 25.6 p -120.36 -9.69 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.6 mmm180 68.09 39.11 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 21' ' ' CYS . 46.2 t -121.7 152.27 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -53.85 107.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG11 ' OG ' ' A' ' 51' ' ' SER . 7.4 p -48.09 -28.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.1 mmt -72.32 -31.92 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -104.44 164.26 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -66.35 155.75 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.403 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -78.91 169.98 17.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.1 -14.38 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 1.6 mpt_? -88.93 -36.4 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -87.91 -25.22 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.0 mt-30 -75.0 -33.24 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.91 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -77.84 -11.7 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 69.67 39.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -115.34 30.24 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 28.0 mt-30 -54.89 -48.35 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -41.37 -29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.34 -33.22 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -66.27 83.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.623 HG12 ' HE2' ' A' ' 81' ' ' LYS . 33.7 m -95.58 -179.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -105.47 127.63 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.9 p -115.31 111.53 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -87.67 144.28 26.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -112.58 163.41 12.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.59 -26.35 61.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.18 7.98 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 64.5 47.35 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.0 m170 -135.05 121.38 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.457 ' OG ' HG11 ' A' ' 25' ' ' VAL . 95.0 p -89.3 141.53 28.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.4 m-85 -143.33 -179.5 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 56' ' ' CYS . 37.8 m80 -93.54 107.41 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -33.7 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' HIS . 25.0 p -73.27 -48.99 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' HIS . 72.4 m -64.96 -30.55 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -71.0 -49.26 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 61' ' ' VAL . 69.7 m -57.65 -32.3 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.05 -46.66 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 23.6 t-105 -58.34 -29.77 66.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -72.83 -25.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -54.01 -35.05 61.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -116.58 -39.27 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -126.16 99.11 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.42 38.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -139.27 135.63 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.2 t -46.83 122.27 7.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.6 mt -111.01 -46.93 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.4 p -120.72 12.45 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.18 38.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.61 152.96 22.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -42.52 102.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.438 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 67.2 t-105 -62.32 124.64 21.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.75 100.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.41 106.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.23 -59.06 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.0 ptm180 -150.39 161.2 42.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HG23 ' A' ' 44' ' ' VAL . 41.0 mt -143.03 147.87 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.71 142.7 7.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.623 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.8 t -41.18 112.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.93 -31.91 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.2 mt -48.44 -47.15 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.02 -7.38 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' CYS . 39.2 mmt-85 65.87 40.55 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 29' ' ' CYS . 60.7 t -123.9 142.59 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 26.6 mp0 -42.98 102.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 26' ' ' MET . 8.0 p -42.82 -43.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.467 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.2 mtp -58.57 -37.02 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.68 172.64 7.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.36 156.77 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' HG11 ' A' ' 23' ' ' VAL . 29.7 p -79.94 169.74 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.74 -17.24 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -85.69 -31.43 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.0 m -89.48 -34.58 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.7 -37.82 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.89 -41.6 20.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.28 -14.58 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 70.91 39.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -115.74 27.48 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 21.0 mt-30 -53.03 -45.23 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -42.67 -33.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.11 -39.15 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.16 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.559 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.2 m -109.07 174.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.601 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 85.2 t -101.32 113.55 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -103.62 115.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 24.0 m-90 -89.2 148.39 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.59 163.76 12.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.02 -28.05 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.32 6.91 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 64.55 51.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.594 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 49.6 m170 -138.9 126.81 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 95.7 p -94.02 138.06 32.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.2 m-85 -144.04 174.57 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.3 m80 -84.03 110.52 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.559 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -37.79 -40.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -68.58 -48.66 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.7 m -63.22 -59.73 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -39.29 -49.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 61' ' ' VAL . 67.5 m -61.4 -33.67 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' CYS . 31.5 mt -79.18 -30.75 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 38.8 t-105 -70.71 -44.3 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 58' ' ' SER . 31.1 m -54.94 -27.32 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -55.47 -33.69 63.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -109.5 -45.69 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.5 m120 -127.2 111.45 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -85.43 39.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -146.57 138.41 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 35.1 t -48.88 123.26 11.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.8 6.92 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 9.1 mp -110.5 -46.44 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.3 p -124.28 12.69 8.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 35.2 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 70' ' ' CYS . 46.8 mt-30 -100.53 153.88 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.4 m-20 -46.38 97.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 68.5 t-105 -55.3 120.71 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.9 t -134.86 98.51 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -44.46 112.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.9 -55.38 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -151.03 161.0 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.81 143.0 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.82 176.0 19.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.34 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 42.5 t -41.39 109.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.65 -28.24 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mt -53.77 -47.97 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.68 -11.26 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 66.65 41.14 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' H ' ' A' ' 30' ' ' LEU . 61.5 t -127.17 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 24' ' ' GLN . 3.8 mp0 -40.69 106.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.1 p -46.55 -35.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.88 -37.23 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.35 168.07 10.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.37 150.05 48.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -69.34 168.63 13.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.0 mt -65.35 -14.62 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -86.28 -31.94 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.9 m -90.62 -36.48 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 34.2 mt-30 -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.85 -36.2 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -81.3 -7.0 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 65.13 41.57 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.22 25.24 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.7 mt-30 -54.42 -46.51 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -39.14 -38.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' HG13 ' A' ' 42' ' ' VAL . 21.1 t0 -84.14 -38.01 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.57 94.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 26.9 m -104.52 175.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.49 119.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.78 HG23 HG12 ' A' ' 79' ' ' ILE . 14.7 p -108.37 111.75 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.4 m-90 -85.89 149.76 24.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.05 164.55 12.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.03 -32.23 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.98 -3.41 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 74.98 47.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.2 m170 -136.35 122.46 20.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 20.1 p -85.08 141.21 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 86.8 m-85 -143.9 -179.88 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.2 m80 -94.49 106.14 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 1.1 p30 -33.94 -37.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.8 p -70.94 -48.28 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' HIS . 82.4 m -64.4 -42.23 96.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.549 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.5 tpt -61.01 -53.78 53.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 p -52.04 -33.14 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.62 -31.88 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 26.5 t-105 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -65.01 -24.69 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -57.54 -41.82 81.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -100.15 -41.69 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.9 m-20 -136.73 116.09 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -92.04 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -140.5 136.89 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLN . 21.9 t -47.02 121.84 7.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 74.9 mt -108.61 -46.51 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLN . 23.6 p -125.48 19.61 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.57 41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' CYS . 31.7 mt-30 -100.23 154.3 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -45.05 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.549 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 52.2 t-105 -56.73 115.95 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 73' ' ' ASP . 87.7 t -132.49 99.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.52 103.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.97 -57.97 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -151.29 157.57 42.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.78 HG12 HG23 ' A' ' 44' ' ' VAL . 64.8 mt -132.11 148.69 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 136.23 178.74 16.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' ARG . 51.3 t -48.54 113.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.47 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 56' ' ' CYS . 37.8 mt -54.04 -45.18 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.92 -7.99 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' CYS . 32.6 mmt180 65.57 40.44 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -126.94 142.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 6.7 mp0 -41.02 104.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 26' ' ' MET . 9.0 p -43.93 -44.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.494 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.4 mmt -58.71 -35.91 73.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.42 167.34 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.33 149.24 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -73.19 171.21 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.67 -14.63 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -88.15 -30.7 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.57 -30.84 15.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 30.3 mt-30 -69.1 -26.69 65.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.68 -35.76 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -83.71 -5.39 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.01 42.79 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.2 22.35 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' CYS . 8.1 mp0 -52.97 -52.43 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -39.05 -32.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.02 -33.7 17.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.1 t -61.97 91.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.3 m -99.61 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.7 t -107.26 125.07 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.708 HG23 HG12 ' A' ' 79' ' ' ILE . 8.2 p -110.47 113.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.407 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 27.9 m-90 -87.96 143.5 27.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -109.78 165.21 12.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.59 -26.06 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.49 10.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.14 43.98 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.6 m170 -129.64 121.19 26.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 90.9 p -90.12 140.79 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.5 m-85 -143.34 -176.56 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 28.5 m170 -93.94 110.77 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -40.87 -36.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -71.97 -45.97 59.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' ILE . 87.2 m -65.71 -64.23 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.635 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.1 tpp -35.71 -63.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 51.1 p -41.73 -37.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' CYS . 15.3 mt -81.25 -47.31 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.495 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 22.3 t-105 -53.47 -37.36 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.1 m -65.77 -18.88 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -67.24 -22.8 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -116.64 -43.03 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -133.15 101.74 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.428 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 28.6 t30 -78.06 47.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 77.1 mtt-85 -150.43 133.95 16.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.2 t -45.27 123.36 5.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.722 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.68 6.37 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 10.9 mp -112.88 -41.77 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 10.5 p -124.76 13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.33 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 mt-30 -105.35 154.52 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.0 t70 -43.58 97.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 70.2 t-105 -59.81 126.52 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 73' ' ' ASP . 92.8 t -132.74 98.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 79' ' ' ILE . 95.7 t -50.07 102.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -58.48 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.52 157.34 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.708 HG12 HG23 ' A' ' 44' ' ' VAL . 25.8 mt -135.47 135.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.1 179.85 33.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 37.2 t -44.29 112.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.37 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 56' ' ' CYS . 26.7 mt -45.37 -46.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -118.01 -7.33 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.6 mmt180 65.27 37.7 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 29' ' ' CYS . 65.2 t -121.66 144.56 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -41.56 103.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.437 HG21 ' OG ' ' A' ' 51' ' ' SER . 3.2 p -45.97 -36.53 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.22 -35.08 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.83 173.94 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.59 154.6 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.554 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -79.72 166.57 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -13.36 13.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.67 -38.21 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.5 m -84.98 -30.94 23.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.2 mt-30 -66.67 -38.29 86.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.13 -38.31 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.52 -6.71 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.64 36.88 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -108.06 25.93 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.9 mt-30 -52.56 -46.99 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.7 tt0 -37.57 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.5 t70 -94.87 -39.67 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -58.82 91.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.41 173.66 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 62.0 t -95.68 109.23 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.6 p -98.59 114.84 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 31.7 m-90 -89.33 146.35 24.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.58 167.23 12.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.66 -29.17 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -72.2 -1.09 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 75.02 45.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.9 m170 -136.77 124.67 22.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 96.9 p -91.34 141.56 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 44' ' ' VAL . 96.4 m-85 -142.69 -178.37 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' CYS . 29.1 m80 -90.98 107.79 19.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -33.18 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -73.75 -48.75 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.4 m -64.57 -29.16 70.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.778 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.3 tpt -73.53 -46.88 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -65.13 -25.33 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.24 -35.97 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 14.7 t-105 -67.58 -36.71 81.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -62.11 -24.12 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -59.02 -43.15 91.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -96.71 -40.38 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -137.72 108.16 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -85.69 42.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -143.25 138.94 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLN . 17.1 t -49.02 123.36 12.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.81 7.57 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.2 mt -113.34 -47.0 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.5 p -119.68 11.77 12.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.99 37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' CYS . 27.4 mt-30 -104.32 155.09 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -42.73 100.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.6 t-105 -65.1 127.64 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 72.5 t -137.77 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -52.39 100.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' A' ' 78' ' ' ARG . 9.3 tt0 -74.95 -60.1 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -149.0 150.63 33.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.8 mt -119.45 139.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.24 150.19 6.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.792 0.33 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 40.6 t -51.16 116.1 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.95 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.9 mt -47.27 -47.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.38 -5.84 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 13.5 mmm180 65.28 38.11 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -123.78 151.53 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 12.8 mp0 -49.92 104.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.76 -47.52 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.525 ' N ' HG13 ' A' ' 25' ' ' VAL . 12.3 mtp -57.07 -35.3 69.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -95.07 169.61 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.87 151.73 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.6 p -76.45 170.42 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.28 -14.34 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -89.8 -30.26 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.6 m -93.38 -27.03 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.458 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 27.1 mt-30 -70.8 -31.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.18 -32.5 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -91.3 2.16 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 m120 55.27 44.7 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -110.43 16.37 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.5 mp0 -44.69 -57.45 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 15.4 pt-20 -36.27 -31.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLN . 13.6 t70 -88.91 -39.03 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.4 t -62.52 82.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 33.9 m -92.1 -178.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 94.2 t -108.92 114.73 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -102.17 113.03 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.442 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 29.8 m-90 -86.61 138.65 31.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.84 171.71 22.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mm-40 -65.15 -28.36 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -80.7 14.44 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 63.65 38.15 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.1 m170 -123.19 121.35 35.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 77.1 p -94.3 142.7 27.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.7 m-85 -143.63 179.68 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.6 m80 -87.57 110.65 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -37.96 -37.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.72 -47.69 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' HG21 ' A' ' 20' ' ' ILE . 92.1 m -61.29 -63.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.3 tpp -35.06 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 61' ' ' VAL . 12.3 t -52.47 -41.4 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' CYS . 54.1 mt -78.15 -31.17 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 22.7 t-105 -66.6 -36.79 83.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.4 m -68.22 -22.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -57.14 -29.85 63.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -118.02 -40.33 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 32.4 m-20 -136.23 111.63 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -90.08 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -141.1 131.15 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' GLN . 16.4 t -39.39 121.27 1.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 3.79 2.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.92 -46.95 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.5 p -124.03 22.27 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 31.03 42.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.8 mt-30 -103.8 161.04 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.1 t0 -53.87 92.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.464 ' NE1' ' HG2' ' A' ' 57' ' ' MET . 57.9 t-105 -46.9 119.5 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.0 t -132.91 100.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 44' ' ' VAL . 96.2 t -51.48 105.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -79.5 -55.23 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -153.45 161.09 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 80' ' ' GLY . 54.5 mt -135.71 153.28 32.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 143.52 176.53 17.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.851 0.357 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' ARG . 44.3 t -45.18 112.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.01 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 56' ' ' CYS . 44.5 mt -47.82 -45.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -119.48 -9.37 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.7 mmm180 67.65 38.13 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.63 145.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -43.69 108.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 43' ' ' VAL . 4.9 p -49.24 -36.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.54 -34.15 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.08 174.73 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -76.28 150.59 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.57 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.75 -14.46 5.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.42 -39.55 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.6 m -82.12 -29.31 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.9 mt-30 -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.22 -39.61 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.34 -11.2 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 69.33 41.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.11 25.63 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 22.0 mt-30 -54.51 -51.18 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.18 -33.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 17.6 t70 -90.28 -40.86 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.85 90.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 40' ' ' ASP . 27.1 m -104.37 177.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.5 t -102.34 129.98 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 p -115.48 111.35 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 30.0 m-90 -87.55 139.55 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.39 160.36 13.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.07 -23.74 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.3 p -77.87 8.08 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.36 44.5 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 46.5 m170 -136.18 118.41 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.485 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 95.7 p -89.15 142.25 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.3 m-85 -144.48 -175.49 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.402 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 m170 -93.87 114.14 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -41.57 -40.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.6 p -67.81 -49.09 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' HB3' HG21 ' A' ' 20' ' ' ILE . 76.3 m -62.7 -60.66 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.621 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.6 tpt -42.05 -53.33 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -31.77 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.31 -53.11 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 19.6 t-105 -49.85 -44.89 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 57' ' ' MET . 16.1 m -55.79 -27.17 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -59.38 -40.78 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -94.32 -44.25 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.52 108.43 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 m120 -80.02 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 73.6 mtt180 -148.4 132.82 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 70' ' ' CYS . 16.5 t -44.43 126.91 4.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.84 4.62 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.452 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 8.6 mp -110.45 -53.71 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 72' ' ' GLN . 5.4 p -104.06 7.64 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 33.34 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' CYS . 5.3 mm100 -119.79 164.93 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -39.89 110.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -83.2 118.8 23.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -123.45 116.67 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.11 105.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.21 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -151.45 157.35 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 44' ' ' VAL . 23.4 mt -127.86 145.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -175.65 34.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.294 -0.384 . . . . 0.0 110.91 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.341 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.0 t -45.76 107.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.13 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 56' ' ' CYS . 17.7 mt -51.18 -46.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.32 -6.74 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 28.6 mmt85 64.66 39.71 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.6 151.66 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -48.49 109.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -50.64 -32.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mmm -72.68 -32.16 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.93 170.97 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 150.51 43.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.72 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.0 -15.33 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -88.72 -30.51 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.8 m -91.26 -31.2 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.48 -31.36 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.65 -36.93 15.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -86.2 -4.99 59.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 64.19 40.21 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -105.71 21.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.2 mp0 -51.14 -57.8 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.6 mt-10 -37.76 -33.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.66 -36.94 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.23 82.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -94.29 176.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.574 ' HB ' ' CH2' ' A' ' 45' ' ' TRP . 99.5 t -101.06 124.48 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.3 p -110.98 111.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 m-90 -88.89 140.39 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.67 169.74 14.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.13 -24.22 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.7 p -79.81 10.68 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 64.44 44.08 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 54.6 m170 -134.72 122.37 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.532 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 37.5 p -94.36 143.58 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 50' ' ' HIS . 97.1 m-85 -142.93 -175.04 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -92.54 112.35 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.453 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -39.17 -37.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.8 -47.98 56.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.5 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.8 m -65.34 -57.94 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.721 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.95 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -78.24 -32.63 49.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' CYS . 56.3 mt -86.37 -10.38 54.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 12.9 t-105 -95.69 -40.89 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 57' ' ' MET . 19.8 m -56.32 -27.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 15.0 pttm -55.23 -46.98 75.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.6 pt20 -87.27 -41.37 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 10.2 m-20 -143.15 113.87 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 3.7 p-10 -82.87 41.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -137.3 152.28 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 71' ' ' GLN . 8.8 t -63.0 124.26 83.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.73 7.24 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -115.28 -43.23 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLN . 22.3 p -122.91 11.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.9 mt-30 -105.87 153.46 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.3 t0 -40.79 98.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.501 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 61.8 t-105 -58.51 124.93 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 73' ' ' ASP . 65.4 t -134.91 106.3 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.32 116.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -89.71 -60.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 5.2 ptp180 -152.17 157.28 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -136.87 134.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.75 146.22 5.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.5 t -40.04 112.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.9 mt -54.7 -50.03 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -111.87 -13.82 13.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.3 mmm180 71.46 37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.21 151.23 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -47.01 105.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 43' ' ' VAL . 2.6 p -47.54 -32.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.9 mmm -70.09 -34.42 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -96.37 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -75.18 148.85 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -76.44 160.79 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.38 -14.81 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -86.08 -40.14 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' ASN . 69.0 m -80.76 -36.7 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -60.84 -32.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.2 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.44 -2.15 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' CYS . 12.9 t-20 65.11 36.38 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -89.15 20.5 3.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 27.3 mt-30 -47.7 -46.35 29.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -46.42 -28.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.49 -34.86 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.03 97.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 25.3 m -116.12 -178.74 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 25' ' ' VAL . 51.1 t -99.96 127.89 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 79' ' ' ILE . 4.7 p -114.28 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -89.73 139.77 30.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.96 168.8 13.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.44 -24.22 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 9.9 p -88.79 21.52 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 1.6 p-10 49.43 39.33 16.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.5 m170 -116.71 117.28 29.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 p -81.49 138.17 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 75.8 m-85 -143.83 -178.97 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -91.34 107.98 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -41.11 -37.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.3 p -72.56 -47.53 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.7 m -64.2 -58.82 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.617 ' SD ' HG13 ' A' ' 61' ' ' VAL . 18.8 tpp -38.9 -59.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.5 p -45.67 -33.23 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' CYS . 26.4 mt -84.45 -50.22 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.481 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 35.0 t-105 -47.92 -46.46 31.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' SD ' ' A' ' 57' ' ' MET . 18.6 m -56.64 -24.9 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' HA ' ' A' ' 59' ' ' LEU . 7.4 mtpm? -59.23 -33.46 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 8.2 pt20 -106.68 -40.68 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 71.2 m-20 -134.65 107.14 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.423 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 1.6 m-80 -82.09 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 28.7 mtt180 -146.82 133.83 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' GLN . 9.5 t -46.94 122.77 7.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.75 5.77 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.5 mp -111.87 -42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.7 p -122.1 12.1 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.43 36.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.3 154.99 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.9 t70 -42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLN . 62.1 t-105 -55.55 126.31 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 73' ' ' ASP . 46.5 t -134.82 100.29 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 79' ' ' ILE . 90.2 t -53.65 113.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -84.71 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -154.44 159.45 41.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -134.49 145.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.73 174.64 26.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.904 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.82 0.343 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.8 t -46.48 111.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.99 65.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 56' ' ' CYS . 38.5 mt -49.38 -43.2 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.45 -6.95 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.1 mmm180 64.45 38.5 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 24' ' ' GLN . 88.5 t -120.61 154.09 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.439 ' N ' HG12 ' A' ' 23' ' ' VAL . 67.3 mm-40 -53.8 106.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 51' ' ' SER . 5.0 p -46.24 -41.51 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.15 -34.8 74.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -98.78 173.83 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.82 158.85 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.98 173.08 12.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.15 -15.0 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -87.27 -30.5 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.5 m -92.48 -34.77 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.0 -33.96 77.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.21 -37.05 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.69 -4.76 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 63.24 39.7 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 26.26 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -55.03 -42.45 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -42.93 -34.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.2 t0 -87.67 -40.02 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.77 95.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 40' ' ' ASP . 35.6 m -110.3 176.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 88.0 t -99.6 116.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.7 p -101.41 114.12 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -88.14 138.02 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.13 161.45 13.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.59 -22.63 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 p -79.61 7.07 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.16 46.55 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.0 m170 -135.93 121.67 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 58.0 p -86.83 140.38 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 94.5 m-85 -143.07 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -95.16 113.28 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -40.79 -39.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.78 -48.0 64.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.455 ' HB3' HG21 ' A' ' 20' ' ' ILE . 94.6 m -62.42 -62.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.779 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -42.06 -48.32 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 55.7 m -55.15 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.2 mt -86.4 -53.18 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 9.0 t-105 -49.67 -41.7 43.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -58.13 -23.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.68 -47.35 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -38.27 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 7.2 m120 -129.01 100.25 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -81.15 41.02 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -146.2 132.98 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.7 t -41.81 123.24 2.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.77 3.02 3.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -106.39 -44.07 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' GLN . 6.4 p -117.66 12.34 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.529 ' N ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER 31.38 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' CYS . 14.5 mm-40 -115.17 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' OD2' HG23 ' A' ' 75' ' ' VAL . 19.3 t70 -40.25 116.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 59.1 t-105 -88.11 119.1 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 73' ' ' ASP . 89.3 t -127.05 117.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 79' ' ' ILE . 84.1 t -64.84 97.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -67.08 -57.98 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -154.04 155.64 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.41 HD11 HG11 ' A' ' 76' ' ' VAL . 32.8 mt -126.13 140.99 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.49 164.81 12.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.453 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.305 -0.379 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 23' ' ' VAL . 9.0 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.2 t -50.49 112.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -29.64 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 56' ' ' CYS . 25.6 mt -51.89 -44.73 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.6 -7.78 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmt180 65.95 40.1 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.632 HG21 ' H ' ' A' ' 30' ' ' LEU . 60.1 t -123.62 143.19 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 10.4 mp0 -45.08 106.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 43' ' ' VAL . 6.2 p -46.97 -32.94 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mmt -66.48 -34.63 78.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.9 173.82 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.589 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . . . -74.25 145.03 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.612 ' HA ' HG11 ' A' ' 23' ' ' VAL . 31.6 p -65.6 165.11 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.632 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.1 mt -62.33 -17.82 59.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -82.25 -30.37 30.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.7 m -89.62 -42.48 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.39 -28.65 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.43 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 37' ' ' LYS . 59.1 mt-10 -89.47 2.11 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 60.92 45.75 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 35' ' ' GLU . 21.6 mtpt -119.1 18.56 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.589 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -57.36 -45.33 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.11 -29.45 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.3 -27.52 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -64.98 82.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -88.77 -178.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.4 t -110.22 121.83 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.5 p -106.73 111.91 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -85.06 137.72 32.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -103.17 162.69 15.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -31.53 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.05 -1.56 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 73.55 46.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.2 m170 -132.5 125.64 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG21 ' A' ' 25' ' ' VAL . 69.2 p -85.94 138.4 32.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 96.5 m-85 -143.68 177.25 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.429 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 33.0 m80 -92.16 112.85 24.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -38.27 1.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.35 -44.69 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 79.9 m -67.37 -60.7 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.746 ' SD ' HG13 ' A' ' 61' ' ' VAL . 12.5 tpp -39.08 -62.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -42.9 -33.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.38 -30.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 28.1 t-105 -68.7 -31.7 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.746 HG13 ' SD ' ' A' ' 57' ' ' MET . 5.5 m -71.07 -20.42 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -65.49 -25.3 67.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -115.63 -42.07 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -136.59 108.29 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 11.4 p-10 -83.96 40.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 32.2 mtt-85 -143.92 130.94 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLN . 13.1 t -42.6 124.27 2.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.673 0.749 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.2 Cg_endo -69.85 5.26 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 83.8 mt -111.9 -43.11 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.2 p -119.21 9.04 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.2 34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' CYS . 15.0 mt-30 -109.27 154.96 21.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' GLN . 11.4 t0 -37.15 103.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.557 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 54.3 t-105 -74.6 126.0 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.73 126.55 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 44' ' ' VAL . 56.0 t -68.29 103.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -76.26 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -154.08 160.35 41.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 44' ' ' VAL . 25.6 mt -132.76 154.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.425 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 144.51 166.56 11.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 119.314 -0.374 . . . . 0.0 110.909 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.6 t -48.44 109.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -27.23 63.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.9 mt -53.88 -46.31 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.18 -6.98 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.2 mmt180 64.23 41.06 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 28' ' ' ALA . 46.4 t -124.89 147.58 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ASP . 6.1 mm-40 -46.2 103.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.533 HG21 ' OG ' ' A' ' 51' ' ' SER . 4.7 p -41.43 -48.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.497 ' N ' HG13 ' A' ' 25' ' ' VAL . 77.6 mmm -57.95 -34.04 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' GLN . 89.0 m-20 -94.81 172.53 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -74.4 156.59 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.2 p -80.64 175.3 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.26 -14.39 62.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.02 -29.65 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.42 -30.58 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 23.0 mt-30 -68.05 -34.72 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.46 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -84.92 -4.16 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.36 40.32 11.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -108.82 21.06 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' CYS . 18.7 mt-30 -51.37 -51.06 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -39.28 -33.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -90.7 -35.21 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.9 t -62.8 89.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -103.12 179.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.9 t -104.47 122.07 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.8 p -111.01 111.73 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -80.54 142.34 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.95 158.61 15.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.38 -28.03 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.66 8.02 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 66.52 45.06 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -133.38 119.67 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.533 ' OG ' HG21 ' A' ' 25' ' ' VAL . 71.6 p -84.57 141.43 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.2 m-85 -143.97 179.76 6.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' CYS . 31.5 m80 -93.42 105.91 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.4 p30 -35.19 -40.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -67.83 -48.71 65.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' LEU . 76.3 m -63.21 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 61' ' ' VAL . 11.2 tpp -35.49 -61.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -44.15 -37.49 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.4 mt -82.45 -35.92 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 24.3 t-105 -61.59 -39.64 91.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' A' ' 57' ' ' MET . 13.1 m -60.37 -29.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.78 -36.02 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 14.3 pt20 -109.02 -40.77 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 67.4 m-80 -134.02 104.93 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -83.34 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -145.21 133.57 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.6 t -40.39 121.14 1.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 6.68 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 mt -110.24 -47.33 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.2 p -122.21 15.1 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER 33.88 41.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' TRP . 28.2 mt-30 -106.97 151.83 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.11 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' GLN . 63.9 t-105 -60.35 122.43 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.24 103.21 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 79' ' ' ILE . 98.3 t -47.85 107.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -87.94 -57.79 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 79' ' ' ILE . 10.4 mmm180 -131.45 161.68 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 76' ' ' VAL . 37.9 mt -143.88 132.98 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.2 -166.83 23.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 119.243 -0.408 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.1 t -44.01 108.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.26 62.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.2 mt -56.54 -47.93 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.16 -7.81 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 24.9 mmt85 64.94 38.77 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 24' ' ' GLN . 98.1 t -122.85 153.8 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 23' ' ' VAL . 38.0 mm-40 -52.87 106.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG11 ' OG ' ' A' ' 51' ' ' SER . 3.1 p -46.23 -36.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.62 -38.45 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.38 163.15 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.81 149.72 48.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.53 166.71 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.96 -15.17 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -86.87 -30.56 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.3 m -91.13 -34.11 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.404 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.2 mt-30 -66.17 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.9 -41.19 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -76.67 -14.13 59.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 72.61 40.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -117.6 30.89 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.79 -43.96 90.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -42.12 -35.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -86.97 -39.49 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 95.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -112.02 177.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 25' ' ' VAL . 85.4 t -95.84 120.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -107.29 112.27 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -89.98 128.4 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -98.2 162.03 20.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.99 -24.06 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.0 p -77.6 6.37 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.43 48.83 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.474 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -136.66 122.01 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.53 ' OG ' HG11 ' A' ' 25' ' ' VAL . 92.9 p -85.06 138.52 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 88.3 m-85 -143.89 -175.64 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.3 m80 -97.37 110.68 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -36.34 -39.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -69.97 -45.8 66.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' HIS . 98.6 m -63.84 -57.14 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.617 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.0 tpt -48.58 -46.78 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -57.37 -33.1 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -84.86 -32.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 42.1 t-105 -70.61 -45.07 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 57' ' ' MET . 31.0 m -55.33 -18.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -69.26 -39.03 78.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -96.08 -38.7 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.501 ' ND2' ' HE1' ' A' ' 60' ' ' TRP . 7.8 t30 -140.09 120.14 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -80.05 14.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 64' ' ' ASN . 84.9 mtt180 -114.66 159.86 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 43.5 t -74.26 131.17 81.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.8 Cg_endo -69.82 5.7 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.1 mp -113.88 -45.64 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 71' ' ' GLN . 6.4 p -117.66 10.75 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.59 38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.17 176.5 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.86 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.48 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.7 t-105 -63.35 126.53 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.24 108.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 HD11 ' A' ' 79' ' ' ILE . 89.2 t -49.24 117.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.75 -54.43 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -137.89 161.92 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.405 HD11 HG11 ' A' ' 76' ' ' VAL . 96.2 mt -145.79 136.91 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.26 -177.37 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.862 0.363 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ARG . 39.9 t -43.38 113.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 -31.16 64.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.6 mt -51.44 -45.66 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.59 -8.86 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.3 mmm180 65.1 41.07 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.68 146.12 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -43.19 103.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 26' ' ' MET . 3.6 p -43.23 -47.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 25' ' ' VAL . 19.3 mmt -56.06 -35.04 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.75 170.12 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.488 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.71 150.06 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -71.25 160.2 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.36 -15.46 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.24 -37.38 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.09 -37.04 22.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.77 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.79 4.44 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 57.65 39.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -92.04 14.84 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 25.6 mt-30 -44.58 -48.09 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -39.76 -34.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.67 -37.84 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.31 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.67 173.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.5 118.17 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -105.55 116.53 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.9 m-90 -90.16 142.61 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -108.75 160.7 13.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.66 -27.36 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.4 p -72.9 -2.28 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 74.8 45.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -135.64 126.21 26.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -86.82 140.1 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 82.1 m-85 -143.5 -175.11 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 26.7 m170 -95.63 110.93 22.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -38.31 -39.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -69.74 -47.79 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LEU . 77.2 m -65.45 -57.04 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -41.84 -44.51 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' CYS . 74.6 mt -82.92 -23.89 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 53.4 t-105 -77.53 -42.65 34.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' SD ' ' A' ' 57' ' ' MET . 16.2 m -55.78 -13.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -102.55 -39.12 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -140.7 120.29 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.25 14.88 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -115.09 166.77 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' GLN . 51.0 t -77.8 129.41 76.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 6.46 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 93.0 mt -114.49 -42.21 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 11.7 p -123.52 11.94 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.01 35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.5 mt-30 -105.9 154.63 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -41.72 102.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 66.5 t-105 -70.47 135.7 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -146.3 108.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.799 HG11 HD11 ' A' ' 79' ' ' ILE . 78.8 t -49.17 108.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -91.1 -57.45 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.438 ' C ' HG13 ' A' ' 79' ' ' ILE . 3.4 mmm180 -131.43 161.61 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.799 HD11 HG11 ' A' ' 76' ' ' VAL . 86.8 mt -150.26 133.81 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 81' ' ' LYS . . . 110.01 138.42 8.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' GLY . 1.3 mptm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.827 0.346 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -43.89 106.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.96 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 56' ' ' CYS . 14.4 mt -52.26 -52.68 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.41 -6.81 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.4 mmm180 64.29 39.76 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 24' ' ' GLN . 99.8 t -120.64 156.89 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.483 ' N ' HG12 ' A' ' 23' ' ' VAL . 7.3 mm-40 -54.47 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 43' ' ' VAL . 7.0 p -45.06 -34.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.9 mtp -68.05 -37.01 80.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -96.2 171.71 8.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.643 ' HB3' ' OE1' ' A' ' 38' ' ' GLN . . . -71.81 157.02 38.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.14 162.94 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.12 -14.86 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.11 -33.96 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.8 m -88.08 -29.79 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.07 -39.1 92.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.43 64.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -82.3 -14.76 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 71.9 38.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -103.15 28.03 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.643 ' OE1' ' HB3' ' A' ' 28' ' ' ALA . 1.4 mm-40 -44.92 -54.55 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -45.36 -33.36 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.13 -34.26 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.97 85.49 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -99.39 176.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 25' ' ' VAL . 60.9 t -101.03 117.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -105.84 111.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 78' ' ' ARG . 26.5 m-90 -80.41 150.77 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.4 158.52 14.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.1 -28.77 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.375 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.79 5.18 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 69.87 43.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.4 m170 -130.89 123.29 28.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 82.9 p -91.18 140.8 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.1 m-85 -142.88 176.97 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.43 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 30.9 m80 -88.31 112.04 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -37.55 -41.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.15 -47.83 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.439 ' HB3' HD13 ' A' ' 20' ' ' ILE . 87.0 m -63.43 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.6 tpt -42.64 -44.97 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -57.88 -33.78 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.5 mt -85.47 -35.63 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.552 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 18.2 t-105 -66.54 -46.72 75.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -55.62 -24.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -61.31 -37.67 84.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -99.32 -43.84 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -131.68 107.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -80.58 44.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -146.41 137.3 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' GLN . 23.0 t -50.06 123.74 16.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.81 6.1 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.669 2.246 . . . . 0.0 112.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -109.99 -44.85 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.1 p -128.42 19.68 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.5 40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -102.73 150.19 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.4 m-20 -40.52 97.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 60.9 t-105 -58.49 119.66 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 73' ' ' ASP . 84.6 t -134.46 103.39 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 79' ' ' ILE . 87.6 t -48.93 109.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 78' ' ' ARG . 12.3 tt0 -90.42 -49.67 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 15.1 mtt-85 -141.53 161.7 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 76' ' ' VAL . 90.9 mt -144.63 139.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.76 175.24 14.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' ARG . 50.7 t -50.79 108.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -4.86 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mt -81.09 -47.17 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -116.32 -7.5 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' CYS . 25.3 mmt180 65.48 39.62 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -126.82 144.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.76 104.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -46.61 -32.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 mmt -69.78 -34.46 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.81 171.46 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.574 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -71.64 147.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -74.69 160.9 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.1 -16.3 2.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -87.39 -30.62 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -93.12 -23.89 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -70.37 -35.6 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.74 47.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.82 -11.21 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 70.32 37.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -100.81 27.17 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.691 ' N ' HE21 ' A' ' 38' ' ' GLN . 1.1 mm-40 -45.04 -59.45 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.03 -28.27 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.88 -35.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.17 85.7 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 81' ' ' LYS . 35.4 m -94.14 175.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 25' ' ' VAL . 80.6 t -100.37 120.67 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -106.52 111.53 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 80' ' ' GLY . 31.2 m-90 -83.77 145.42 28.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.66 158.86 14.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.75 -25.24 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.3 p -82.08 14.5 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.48 42.91 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.5 m170 -130.92 127.93 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.458 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 53.7 p -99.96 142.2 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.6 m-85 -143.76 -178.17 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' CYS . 33.5 m80 -91.34 107.51 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.0 p30 -33.24 -38.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -71.63 -48.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' HIS . 85.0 m -64.13 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 tpt -69.27 -48.29 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 m -57.61 -28.33 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -94.12 -31.26 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 5.1 t-105 -70.75 -44.91 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' MET . 29.5 m -55.78 -27.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -57.91 -43.56 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -92.16 -43.73 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.03 107.77 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -82.17 45.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -144.75 139.16 27.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' GLN . 32.7 t -49.26 124.84 14.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.74 7.34 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -114.61 -47.83 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.503 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.8 p -120.07 16.55 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.03 39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' CYS . 7.7 mt-30 -108.15 154.9 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLN . 35.7 t70 -37.38 103.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -69.17 126.38 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.2 t -138.65 110.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 79' ' ' ILE . 87.8 t -57.11 105.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.92 -60.5 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 79' ' ' ILE . 6.3 mmp_? -130.72 161.63 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 76' ' ' VAL . 63.8 mt -144.81 134.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' CH2' ' A' ' 45' ' ' TRP . . . 134.94 170.51 12.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.551 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -65.53 172.26 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -89.28 159.9 17.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.31 -150.94 0.3 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -117.29 148.74 41.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.369 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 m -138.83 175.71 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.51 103.42 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.7 mmm -110.36 115.39 29.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -68.02 164.51 19.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -119.39 167.03 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.572 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -123.48 -173.54 2.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -113.27 39.15 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG13 ' CD1' ' A' ' 11' ' ' TRP . 21.1 m -69.48 -24.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.8 109.21 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.2 m -130.92 177.37 7.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 53.01 53.95 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 m -109.72 137.33 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 54.0 t -49.39 107.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.52 -28.02 64.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.635 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.5 mt -51.88 -48.08 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.4 p -117.65 -8.84 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.7 mmm180 65.71 38.56 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -122.66 147.44 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -47.81 102.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 51' ' ' SER . 3.2 p -44.55 -30.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -67.32 -37.59 83.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.24 174.94 6.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -72.36 151.98 42.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 27.1 p -75.41 173.07 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -66.06 -14.24 61.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -90.72 -28.24 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.2 m -92.93 -33.09 14.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 37.5 mt-30 -66.6 -31.72 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.56 -36.83 32.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -87.79 -8.14 56.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.05 43.47 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -110.58 23.17 14.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mp0 -47.07 -58.8 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' GLN . 34.7 tt0 -37.1 -31.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' GLN . 7.9 t70 -88.2 -38.92 14.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -62.17 88.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.525 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.8 m -99.11 176.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 25' ' ' VAL . 93.5 t -103.28 130.97 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 44' ' ' VAL . 8.0 p -116.1 112.09 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -85.66 144.82 27.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.21 163.72 12.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.16 -26.63 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -79.07 7.51 7.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.8 m120 64.33 46.7 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.9 m170 -132.11 119.18 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.52 ' HB2' HG21 ' A' ' 25' ' ' VAL . 12.6 p -83.94 141.72 31.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 85.4 m-85 -143.57 179.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' CYS . 23.0 m80 -93.06 108.28 19.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.525 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.6 OUTLIER -37.03 -35.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.4 p -73.74 -47.66 37.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.635 ' HB3' HG21 ' A' ' 20' ' ' ILE . 95.5 m -62.62 -64.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.695 ' SD ' HG13 ' A' ' 61' ' ' VAL . 13.7 tpp -38.12 -55.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.1 p -49.82 -37.36 30.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' CYS . 20.5 mt -84.29 -26.24 28.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.567 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 47.0 t-105 -71.23 -48.02 53.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG13 ' SD ' ' A' ' 57' ' ' MET . 12.7 m -55.75 -25.64 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -57.45 -31.45 65.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -110.62 -43.4 3.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -134.05 102.29 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -78.79 45.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -147.03 132.13 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.5 t -43.83 122.75 3.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.76 6.29 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -111.69 -43.71 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' GLN . 18.0 p -123.58 13.15 9.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.49 38.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -105.0 153.52 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.4 t0 -43.06 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 -59.99 124.28 19.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 73' ' ' ASP . 86.0 t -133.91 100.27 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.9 t -50.68 100.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.175 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -74.69 -55.9 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -153.29 153.78 33.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.9 mt -125.35 144.29 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.83 175.01 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 119.299 -0.381 . . . . 0.0 110.88 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -141.5 125.45 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -88.72 175.13 7.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.42 112.75 0.27 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -140.68 149.28 42.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -132.92 112.87 12.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.04 145.93 17.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mmm -151.99 115.45 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.751 0.31 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -86.99 172.04 10.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -147.9 138.92 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -125.17 -173.36 2.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -113.66 44.02 1.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.62 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m -80.9 46.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -41.55 103.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' ASP . 60.5 m -147.07 108.85 4.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' CYS . 72.2 m-20 35.71 41.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.0 m -66.5 114.67 5.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 36.4 t -42.4 112.16 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.16 -34.15 70.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.548 HG21 ' HB3' ' A' ' 56' ' ' CYS . 16.7 mt -47.05 -48.4 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -114.92 -10.6 12.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 67.87 40.73 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 24' ' ' GLN . 60.7 t -126.23 153.31 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' N ' HG12 ' A' ' 23' ' ' VAL . 65.5 mm-40 -50.14 105.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.1 -47.07 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.504 ' N ' HG13 ' A' ' 25' ' ' VAL . 62.9 mmm -58.59 -34.9 71.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.73 168.13 10.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.45 148.67 46.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.63 168.48 18.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.54 -14.73 58.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -85.41 -33.83 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.9 m -88.58 -40.93 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.5 mt-30 -59.17 -30.69 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.65 -43.25 66.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -93.34 1.99 56.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 59.73 41.95 17.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -100.6 16.41 24.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' ASP . 22.8 mp0 -44.06 -54.13 5.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' GLN . 42.8 mt-10 -32.7 -35.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -90.04 -41.45 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 4.1 t -57.87 87.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ASP . 31.5 m -101.67 174.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 97.5 t -98.05 125.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.714 HG23 HG12 ' A' ' 79' ' ' ILE . 7.3 p -110.35 113.12 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.469 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 22.9 m-90 -89.38 142.47 27.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.51 169.03 13.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.23 -25.43 68.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.5 p -76.9 5.55 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 67.8 44.72 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.0 m170 -134.72 122.33 22.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.449 ' OG ' HG21 ' A' ' 25' ' ' VAL . 54.0 p -91.04 142.57 27.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 97.3 m-85 -143.71 -175.64 4.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.418 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 26.8 m170 -94.04 111.44 23.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.78 -38.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.82 -48.12 55.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.548 ' HB3' HG21 ' A' ' 20' ' ' ILE . 85.1 m -65.11 -59.76 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 tpt -43.88 -48.36 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -55.72 -31.03 62.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.4 mt -86.33 -36.16 19.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 11.7 t-105 -67.63 -39.96 84.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 57' ' ' MET . 27.8 m -64.72 -22.69 31.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -57.3 -34.15 68.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -112.37 -42.9 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -123.32 102.31 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -82.84 47.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -147.1 135.52 21.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.4 t -48.34 122.34 10.05 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 0.0 110.873 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.78 7.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 8.6 mp -112.73 -41.61 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.4 p -126.6 14.54 7.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 32.66 40.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.4 mt-30 -106.51 156.03 18.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 75' ' ' VAL . 13.4 t0 -44.43 98.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.19 122.95 14.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 73' ' ' ASP . 64.2 t -134.44 104.48 5.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.654 HG11 HD11 ' A' ' 79' ' ' ILE . 89.8 t -55.26 97.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -70.21 -55.66 8.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.1 ptp85 -154.55 158.93 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.714 HG12 HG23 ' A' ' 44' ' ' VAL . 36.0 mt -142.74 144.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.96 152.85 8.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -172.74 150.57 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 110.83 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -79.9 115.6 19.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.74 -168.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -152.6 168.34 25.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -109.3 143.82 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.01 -151.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.467 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.0 mtm -81.64 128.13 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -66.39 94.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 m -156.33 152.62 27.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.8 ' CD1' HG13 ' A' ' 13' ' ' VAL . 1.2 p90 -81.62 -172.9 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -121.04 54.53 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.8 HG13 ' CD1' ' A' ' 11' ' ' TRP . 25.7 m -75.78 53.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -125.13 102.53 7.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 m -114.64 35.62 4.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.57 ' O ' HG12 ' A' ' 25' ' ' VAL . 10.3 p30 -131.07 59.01 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.1 m -114.33 120.71 41.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.7 t -43.74 107.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.75 -26.56 64.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 56' ' ' CYS . 11.8 mt -54.73 -52.31 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -111.67 -9.48 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmm180 66.69 40.01 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 67.6 t -124.7 148.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -47.93 107.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.5 p -46.41 -37.0 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.4 mmt -63.38 -37.3 86.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -96.85 165.67 12.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -69.03 149.49 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.3 168.95 18.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.46 -15.94 42.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mmt-85 -86.97 -32.06 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.5 m -91.56 -25.25 19.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.87 -25.73 59.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.2 -38.88 11.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -0.74 57.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 61.03 43.71 11.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -105.48 18.11 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 26.6 mt-30 -50.59 -53.88 27.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -37.3 -33.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -90.92 -37.64 13.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.17 94.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG12 ' HD2' ' A' ' 81' ' ' LYS . 36.0 m -109.7 178.75 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 25' ' ' VAL . 63.9 t -103.47 116.58 47.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.79 112.87 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.466 ' CZ3' ' O ' ' A' ' 80' ' ' GLY . 30.6 m-90 -84.7 146.39 27.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -111.73 169.67 13.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -62.91 -26.57 68.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.7 p -81.74 10.76 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 64.06 42.27 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.407 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 56.4 m170 -128.76 118.87 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.589 ' HB2' HG21 ' A' ' 25' ' ' VAL . 10.6 p -87.52 142.2 28.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 92.8 m-85 -140.94 -177.93 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 56' ' ' CYS . 24.4 m170 -94.57 107.19 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -34.41 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -72.86 -48.32 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.2 m -67.05 -59.41 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.439 ' SD ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.71 -40.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 61' ' ' VAL . 38.6 m -68.74 -34.93 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' CYS . 76.1 mt -79.68 -27.87 40.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.958 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.46 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 32.2 t-105 -72.6 -44.52 61.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.439 HG13 ' SD ' ' A' ' 57' ' ' MET . 23.5 m -58.38 -19.95 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.86 -27.35 69.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -115.32 -40.68 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 79.7 m-20 -137.19 106.2 5.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.32 45.28 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -144.77 134.88 24.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.7 t -46.33 122.27 6.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.79 5.56 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.1 mt -110.6 -43.02 3.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 14.3 p -123.68 13.25 9.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.09 37.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.02 151.34 25.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.05 99.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 64.5 t-105 -64.02 121.01 13.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.6 t -129.12 104.96 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG11 HD11 ' A' ' 79' ' ' ILE . 94.0 t -54.63 99.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.17 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.56 -57.03 4.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' NH1' ' CD2' ' A' ' 45' ' ' TRP . 16.6 ptt85 -152.07 160.49 43.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.439 HD11 HG11 ' A' ' 76' ' ' VAL . 19.5 mt -133.61 140.17 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.466 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 145.24 177.7 20.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' HD2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 119.246 -0.407 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -152.13 163.8 38.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -129.62 169.46 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.92 -122.59 2.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -135.02 169.99 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.869 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 p -167.16 150.21 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.75 -170.41 27.55 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.63 119.74 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 48.2 m95 -83.53 143.24 30.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 p -87.9 118.99 27.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -95.81 -173.29 2.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.03 43.6 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.4 m -80.36 40.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -74.39 167.82 20.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 m -81.51 38.99 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -125.84 59.26 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 m -142.05 111.92 6.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.158 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 45.4 t -42.04 110.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.02 -33.22 71.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.4 mt -47.31 -51.32 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.2 -9.63 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 15.3 mmt180 69.14 39.3 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 ' H ' ' A' ' 30' ' ' LEU . 58.5 t -124.95 143.12 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -42.65 108.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 26' ' ' MET . 7.1 p -47.11 -45.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.482 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.3 mtp -57.26 -36.55 71.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -96.28 163.91 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.564 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -67.95 151.6 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.436 ' HA ' HG11 ' A' ' 23' ' ' VAL . 28.5 p -74.86 158.09 33.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' H ' HG21 ' A' ' 23' ' ' VAL . 19.4 mt -54.76 -16.36 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -84.1 -38.6 20.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 56.1 m -82.52 -38.86 23.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.564 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.8 mt-30 -61.7 -37.34 83.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.1 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -97.47 -4.69 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' CYS . 55.9 t30 64.5 36.13 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.5 mmmt -95.29 23.07 6.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.6 mt-30 -47.72 -46.0 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -39.05 -27.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' GLN . 27.3 t70 -98.03 -40.15 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -61.04 93.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.597 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 35.6 m -106.41 -178.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 68.0 t -102.05 114.15 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -102.27 117.72 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.499 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.6 m-90 -95.93 145.56 25.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.02 163.1 12.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.47 -24.43 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.6 7.65 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 64.3 47.95 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -135.36 120.73 19.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.499 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 34.2 p -89.8 140.09 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.6 m-85 -144.15 -175.91 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.512 ' O ' ' N ' ' A' ' 56' ' ' CYS . 30.3 m170 -93.05 107.0 18.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.597 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.4 OUTLIER -33.04 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -74.27 -48.26 29.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.607 ' HB3' HG21 ' A' ' 20' ' ' ILE . 71.0 m -65.47 -39.25 91.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.498 ' SD ' ' NE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -63.03 -43.84 97.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -67.23 -34.77 78.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.866 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD23 ' HE2' ' A' ' 62' ' ' LYS . 13.4 mt -80.37 -31.55 37.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 24.5 t-105 -67.69 -46.89 70.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.75 -25.39 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' HE2' HD23 ' A' ' 59' ' ' LEU . 51.4 mttm -51.29 -33.9 30.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.97 -36.19 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.595 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 69.4 m-20 -133.62 102.25 5.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -81.89 36.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -137.29 133.38 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' GLN . 12.2 t -44.54 122.33 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 6.25 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.364 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.565 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 47.9 mt -110.54 -45.27 3.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' GLN . 16.5 p -120.88 12.15 11.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.19 37.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.6 mt-30 -107.64 152.18 24.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -38.7 106.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.498 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 68.7 t-105 -67.52 129.77 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.92 107.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -57.06 108.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -83.0 -54.06 5.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -154.46 160.24 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -137.2 148.36 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.11 173.32 19.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.4 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 119.345 -0.359 . . . . 0.0 110.896 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -173.92 107.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -116.42 154.09 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.32 170.05 36.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -161.1 118.53 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -148.32 157.7 43.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.68 120.44 0.54 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ttp -112.56 83.33 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -60.46 151.11 29.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 t -80.84 137.48 36.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.58 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -98.45 -173.36 2.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' ' 12' ' ' ASP . 2.7 p-10 -112.8 44.46 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.844 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG22 ' HD1' ' A' ' 11' ' ' TRP . 19.0 m -79.4 42.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -95.79 151.87 18.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -144.52 139.11 28.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.99 33.41 8.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -75.91 127.31 32.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.143 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' ARG . 29.2 t -46.24 107.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -31.83 68.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.439 HG21 ' HB3' ' A' ' 56' ' ' CYS . 61.1 mt -47.07 -45.86 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 23' ' ' VAL . 25.6 p -120.36 -9.69 9.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.6 mmm180 68.09 39.11 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 21' ' ' CYS . 46.2 t -121.7 152.27 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -53.85 107.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG11 ' OG ' ' A' ' 51' ' ' SER . 7.4 p -48.09 -28.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.1 mmt -72.32 -31.92 66.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -104.44 164.26 11.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -66.35 155.75 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.403 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -78.91 169.98 17.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.9 mt -62.1 -14.38 36.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' SG ' ' A' ' 29' ' ' CYS . 1.6 mpt_? -88.93 -36.4 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 95.1 m -87.91 -25.22 23.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.0 mt-30 -75.0 -33.24 61.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.17 -39.91 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -77.84 -11.7 59.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 69.67 39.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -115.34 30.24 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' CYS . 28.0 mt-30 -54.89 -48.35 73.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -41.37 -29.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -90.34 -33.22 16.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -66.27 83.91 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.623 HG12 ' HE2' ' A' ' 81' ' ' LYS . 33.7 m -95.58 -179.19 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -105.47 127.63 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.9 p -115.31 111.53 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 29.4 m-90 -87.67 144.28 26.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -112.58 163.41 12.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.59 -26.35 61.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.925 0.393 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.0 p -78.18 7.98 5.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 64.5 47.35 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.491 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.0 m170 -135.05 121.38 20.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.457 ' OG ' HG11 ' A' ' 25' ' ' VAL . 95.0 p -89.3 141.53 28.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.4 m-85 -143.33 -179.5 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.485 ' O ' ' N ' ' A' ' 56' ' ' CYS . 37.8 m80 -93.54 107.41 19.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.8 OUTLIER -33.7 -36.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 53' ' ' HIS . 25.0 p -73.27 -48.99 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 53' ' ' HIS . 72.4 m -64.96 -30.55 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -71.0 -49.26 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.542 ' O ' HG22 ' A' ' 61' ' ' VAL . 69.7 m -57.65 -32.3 67.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.8 mt -85.05 -46.66 10.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 23.6 t-105 -58.34 -29.77 66.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -72.83 -25.73 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -54.01 -35.05 61.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -116.58 -39.27 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.562 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -126.16 99.11 5.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -86.42 38.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.4 mtt85 -139.27 135.63 34.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.2 t -46.83 122.27 7.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.77 6.64 1.24 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.6 mt -111.01 -46.93 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.4 p -120.72 12.45 11.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.18 38.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -105.61 152.96 22.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -42.52 102.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.438 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 67.2 t-105 -62.32 124.64 21.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.75 100.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.41 106.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -82.23 -59.06 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.0 ptm180 -150.39 161.2 42.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.512 HG12 HG23 ' A' ' 44' ' ' VAL . 41.0 mt -143.03 147.87 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.71 142.7 7.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.623 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.227 -0.416 . . . . 0.0 110.891 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -172.77 123.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -165.47 177.5 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -164.72 32.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -159.35 165.47 33.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -160.39 155.7 24.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.58 -175.54 47.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 ttt -131.6 114.98 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.713 0.292 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -75.74 138.27 41.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.7 p -142.93 144.5 32.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.61 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -91.73 -173.72 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.1 40.73 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.61 HG22 ' HD1' ' A' ' 11' ' ' TRP . 16.6 m -77.19 -25.56 15.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -67.16 142.14 57.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.49 44.53 2.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.718 ' O ' HG12 ' A' ' 25' ' ' VAL . 5.5 m-20 -130.03 43.18 3.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.6 m -129.84 113.75 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 22' ' ' ARG . 35.8 t -41.18 112.59 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.93 -31.91 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.2 mt -48.44 -47.15 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.1 p -118.02 -7.38 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' CYS . 39.2 mmt-85 65.87 40.55 4.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 29' ' ' CYS . 60.7 t -123.9 142.59 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 26.6 mp0 -42.98 102.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.718 HG12 ' O ' ' A' ' 16' ' ' ASP . 8.0 p -42.82 -43.61 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.467 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.2 mtp -58.57 -37.02 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.68 172.64 7.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.36 156.77 36.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' HG11 ' A' ' 23' ' ' VAL . 29.7 p -79.94 169.74 17.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.74 -17.24 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -85.69 -31.43 22.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.0 m -89.48 -34.58 16.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.7 -37.82 87.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.89 -41.6 20.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -76.28 -14.58 60.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 70.91 39.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -115.74 27.48 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 21.0 mt-30 -53.03 -45.23 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -42.67 -33.66 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.11 -39.15 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.16 93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.559 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.2 m -109.07 174.45 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.601 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 85.2 t -101.32 113.55 37.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 3.6 p -103.62 115.99 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' O ' ' A' ' 43' ' ' VAL . 24.0 m-90 -89.2 148.39 23.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.59 163.76 12.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.437 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -57.02 -28.05 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.32 6.91 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 64.55 51.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.594 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 49.6 m170 -138.9 126.81 22.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 95.7 p -94.02 138.06 32.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.2 m-85 -144.04 174.57 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.3 m80 -84.03 110.52 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.559 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -37.79 -40.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -68.58 -48.66 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.7 m -63.22 -59.73 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -39.29 -49.26 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.559 ' O ' HG22 ' A' ' 61' ' ' VAL . 67.5 m -61.4 -33.67 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' CYS . 31.5 mt -79.18 -30.75 43.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.554 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 38.8 t-105 -70.71 -44.3 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 58' ' ' SER . 31.1 m -54.94 -27.32 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -55.47 -33.69 63.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -109.5 -45.69 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.5 m120 -127.2 111.45 13.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -85.43 39.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -146.57 138.41 24.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 35.1 t -48.88 123.26 11.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.598 0.713 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.8 6.92 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.243 . . . . 0.0 112.335 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 9.1 mp -110.5 -46.44 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.3 p -124.28 12.69 8.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 35.2 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 70' ' ' CYS . 46.8 mt-30 -100.53 153.88 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 75' ' ' VAL . 1.4 m-20 -46.38 97.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 68.5 t-105 -55.3 120.71 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.9 t -134.86 98.51 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.9 t -44.46 112.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.9 -55.38 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -151.03 161.0 43.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.81 143.0 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 145.82 176.0 19.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.8 m -37.33 -51.92 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 0.0 110.87 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -144.01 150.4 38.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.29 -156.16 6.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -121.4 99.26 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -138.12 143.47 40.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.3 150.47 25.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 ptp -65.45 140.61 58.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -42.25 -59.02 1.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 t -55.48 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.643 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -108.51 -173.65 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -111.82 40.17 2.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.651 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.8 m -79.74 49.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -86.99 21.7 2.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ASP . 28.2 p -78.34 127.32 32.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER 35.42 37.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m -73.06 117.37 14.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 42.5 t -41.39 109.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.65 -28.24 63.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 mt -53.77 -47.97 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.68 -11.26 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 18.1 mmt180 66.65 41.14 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG21 ' H ' ' A' ' 30' ' ' LEU . 61.5 t -127.17 141.25 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 24' ' ' GLN . 3.8 mp0 -40.69 106.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 51' ' ' SER . 4.1 p -46.55 -35.65 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.7 mmt -62.88 -37.23 86.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -99.35 168.07 10.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.37 150.05 48.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.2 p -69.34 168.63 13.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.0 mt -65.35 -14.62 61.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -86.28 -31.94 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.9 m -90.62 -36.48 14.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 34.2 mt-30 -63.78 -34.6 78.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.85 -36.2 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.084 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -81.3 -7.0 59.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 65.13 41.57 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -120.22 25.24 9.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.455 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 18.7 mt-30 -54.42 -46.51 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -39.14 -38.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' HG13 ' A' ' 42' ' ' VAL . 21.1 t0 -84.14 -38.01 21.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.57 94.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 26.9 m -104.52 175.93 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.49 119.37 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.78 HG23 HG12 ' A' ' 79' ' ' ILE . 14.7 p -108.37 111.75 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.507 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 32.4 m-90 -85.89 149.76 24.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -116.05 164.55 12.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.03 -32.23 67.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.98 -3.41 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 74.98 47.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.447 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.2 m170 -136.35 122.46 20.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.507 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 20.1 p -85.08 141.21 30.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 86.8 m-85 -143.9 -179.88 6.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.862 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.2 m80 -94.49 106.14 18.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 1.1 p30 -33.94 -37.83 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.8 p -70.94 -48.28 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' HIS . 82.4 m -64.4 -42.23 96.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.549 ' SD ' ' CZ2' ' A' ' 74' ' ' TRP . 4.5 tpt -61.01 -53.78 53.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.3 p -52.04 -33.14 37.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.1 mt -86.62 -31.88 20.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 26.5 t-105 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.0 m -65.01 -24.69 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -57.54 -41.82 81.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -100.15 -41.69 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.439 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.9 m-20 -136.73 116.09 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -92.04 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -140.5 136.89 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLN . 21.9 t -47.02 121.84 7.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 74.9 mt -108.61 -46.51 3.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLN . 23.6 p -125.48 19.61 8.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.57 41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' CYS . 31.7 mt-30 -100.23 154.3 18.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.491 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -45.05 97.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.549 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 52.2 t-105 -56.73 115.95 2.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 73' ' ' ASP . 87.7 t -132.49 99.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.52 103.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.97 -57.97 3.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -151.29 157.57 42.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.78 HG12 HG23 ' A' ' 44' ' ' VAL . 64.8 mt -132.11 148.69 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.464 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . . . 136.23 178.74 16.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 119.257 -0.401 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -124.72 83.92 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -148.16 113.77 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.43 107.47 2.09 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -92.38 140.85 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -168.42 163.74 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.88 -146.51 8.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 mtm -103.84 104.2 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -83.31 148.07 27.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 11' ' ' TRP . 23.4 p -92.35 126.83 37.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.529 ' CD1' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.08 -173.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -103.69 -1.62 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.5 m -85.39 47.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -50.09 134.99 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 m -131.39 33.71 4.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -129.24 53.12 1.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 m -142.0 118.31 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' ARG . 51.3 t -48.54 113.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.47 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.472 HG21 ' HB3' ' A' ' 56' ' ' CYS . 37.8 mt -54.04 -45.18 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -117.92 -7.99 10.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 18' ' ' CYS . 32.6 mmt180 65.57 40.44 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.8 t -126.94 142.64 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 6.7 mp0 -41.02 104.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 26' ' ' MET . 9.0 p -43.93 -44.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.494 ' N ' HG13 ' A' ' 25' ' ' VAL . 6.4 mmt -58.71 -35.91 73.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.42 167.34 11.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.33 149.24 49.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 29.3 p -73.19 171.21 13.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.67 -14.63 61.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -88.15 -30.7 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.7 m -92.57 -30.84 15.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 30.3 mt-30 -69.1 -26.69 65.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.68 -35.76 13.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -83.71 -5.39 59.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.8 m120 65.01 42.79 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.2 22.35 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' CYS . 8.1 mp0 -52.97 -52.43 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -39.05 -32.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -89.02 -33.7 17.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.1 t -61.97 91.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.446 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 27.3 m -99.61 179.01 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.7 t -107.26 125.07 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.708 HG23 HG12 ' A' ' 79' ' ' ILE . 8.2 p -110.47 113.34 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.407 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 27.9 m-90 -87.96 143.5 27.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -109.78 165.21 12.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.59 -26.06 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.49 10.54 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 63.14 43.98 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.6 m170 -129.64 121.19 26.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 90.9 p -90.12 140.79 29.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.5 m-85 -143.34 -176.56 4.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 28.5 m170 -93.94 110.77 22.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -40.87 -36.1 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -71.97 -45.97 59.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' ILE . 87.2 m -65.71 -64.23 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.635 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.1 tpp -35.71 -63.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 51.1 p -41.73 -37.26 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.823 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' CYS . 15.3 mt -81.25 -47.31 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.495 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 22.3 t-105 -53.47 -37.36 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.1 m -65.77 -18.88 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -67.24 -22.8 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -116.64 -43.03 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -133.15 101.74 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.428 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 28.6 t30 -78.06 47.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 77.1 mtt-85 -150.43 133.95 16.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' GLN . 10.2 t -45.27 123.36 5.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.615 0.722 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.68 6.37 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 10.9 mp -112.88 -41.77 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 10.5 p -124.76 13.0 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.33 35.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 mt-30 -105.35 154.52 20.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.0 t70 -43.58 97.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 70.2 t-105 -59.81 126.52 27.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 73' ' ' ASP . 92.8 t -132.74 98.89 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG11 HD11 ' A' ' 79' ' ' ILE . 95.7 t -50.07 102.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.41 -58.48 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.52 157.34 42.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.708 HG12 HG23 ' A' ' 44' ' ' VAL . 25.8 mt -135.47 135.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 158.1 179.85 33.28 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -158.98 149.53 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -116.91 172.95 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -178.6 -44.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLY . 71.4 m -35.16 111.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.811 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -122.13 105.06 9.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -165.3 -76.3 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.463 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' TRP . 4.2 ptp 32.67 49.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' MET . 11.6 m95 -33.05 132.65 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 t -87.81 131.36 34.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -89.93 -173.48 3.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -113.69 43.56 1.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.2 m -80.61 43.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -92.05 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.0 p -71.89 -174.3 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' THR . 8.6 t0 -80.17 36.32 0.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' ASP . 37.0 m -33.39 115.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 37.2 t -44.29 112.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.59 -35.37 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.421 HG21 ' HB3' ' A' ' 56' ' ' CYS . 26.7 mt -45.37 -46.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -118.01 -7.33 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.6 mmt180 65.27 37.7 6.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 29' ' ' CYS . 65.2 t -121.66 144.56 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -41.56 103.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.437 HG21 ' OG ' ' A' ' 51' ' ' SER . 3.2 p -45.97 -36.53 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 66.2 mmm -68.22 -35.08 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.83 173.94 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.59 154.6 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.554 ' HA ' HG11 ' A' ' 23' ' ' VAL . 26.7 p -79.72 166.57 21.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -13.36 13.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -88.67 -38.21 14.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 74.5 m -84.98 -30.94 23.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 35.2 mt-30 -66.67 -38.29 86.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.13 -38.31 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -82.52 -6.71 59.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 61.64 36.88 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -108.06 25.93 11.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.9 mt-30 -52.56 -46.99 67.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 36.7 tt0 -37.57 -28.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 38' ' ' GLN . 20.5 t70 -94.87 -39.67 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -58.82 91.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.41 173.66 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 62.0 t -95.68 109.23 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.6 p -98.59 114.84 37.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 31.7 m-90 -89.33 146.35 24.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.58 167.23 12.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -62.66 -29.17 70.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.3 p -72.2 -1.09 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 75.02 45.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.9 m170 -136.77 124.67 22.68 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.444 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 96.9 p -91.34 141.56 28.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' O ' HG12 ' A' ' 44' ' ' VAL . 96.4 m-85 -142.69 -178.37 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 56' ' ' CYS . 29.1 m80 -90.98 107.79 19.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.1 OUTLIER -33.18 -36.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.7 p -73.75 -48.75 29.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' HIS . 71.4 m -64.57 -29.16 70.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.778 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.3 tpt -73.53 -46.88 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 t -65.13 -25.33 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.4 mt -94.24 -35.97 12.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 14.7 t-105 -67.58 -36.71 81.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.778 HG13 ' O ' ' A' ' 57' ' ' MET . 35.0 m -62.11 -24.12 33.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -59.02 -43.15 91.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -96.71 -40.38 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -137.72 108.16 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -85.69 42.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -143.25 138.94 29.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLN . 17.1 t -49.02 123.36 12.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.643 0.735 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.9 Cg_endo -69.81 7.57 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.629 2.219 . . . . 0.0 112.35 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.2 mt -113.34 -47.0 3.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.5 p -119.68 11.77 12.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.99 37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 70' ' ' CYS . 27.4 mt-30 -104.32 155.09 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -42.73 100.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.468 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.6 t-105 -65.1 127.64 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 72.5 t -137.77 105.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -52.39 100.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.179 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' OE1' ' NE ' ' A' ' 78' ' ' ARG . 9.3 tt0 -74.95 -60.1 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.497 ' NE ' ' OE1' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -149.0 150.63 33.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.8 mt -119.45 139.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.24 150.19 6.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -95.72 95.21 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.805 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -95.76 102.18 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.34 113.94 0.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -101.13 41.77 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -148.46 112.86 5.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.32 -76.26 0.22 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.9 mtt -82.45 92.92 7.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.723 0.297 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -65.53 139.58 58.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -93.16 42.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.833 ' CZ2' HG12 ' A' ' 13' ' ' VAL . 1.5 t-105 -64.65 113.56 3.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 13' ' ' VAL . 62.5 m-20 -119.37 43.67 2.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.833 HG12 ' CZ2' ' A' ' 11' ' ' TRP . 26.7 m 34.46 42.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.23 22.81 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 t -127.31 123.45 36.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 17' ' ' THR . 9.1 t70 -123.43 47.06 2.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 16' ' ' ASP . 16.6 m -34.16 120.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 22' ' ' ARG . 40.6 t -51.16 116.1 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.95 68.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 56' ' ' CYS . 45.9 mt -47.27 -47.41 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.38 -5.84 11.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' CYS . 13.5 mmm180 65.28 38.11 6.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.3 t -123.78 151.53 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' CD ' ' H ' ' A' ' 24' ' ' GLN . 12.8 mp0 -49.92 104.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 26' ' ' MET . 7.2 p -44.76 -47.52 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.525 ' N ' HG13 ' A' ' 25' ' ' VAL . 12.3 mtp -57.07 -35.3 69.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -95.07 169.61 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -71.87 151.73 43.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.6 p -76.45 170.42 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.0 mt -64.28 -14.34 55.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -89.8 -30.26 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.6 m -93.38 -27.03 16.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.458 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 27.1 mt-30 -70.8 -31.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.18 -32.5 19.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -91.3 2.16 56.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.9 m120 55.27 44.7 27.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -110.43 16.37 21.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.5 mp0 -44.69 -57.45 3.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' GLN . 15.4 pt-20 -36.27 -31.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLN . 13.6 t70 -88.91 -39.03 14.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 38' ' ' GLN . 2.4 t -62.52 82.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 33.9 m -92.1 -178.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' O ' ' CZ3' ' A' ' 45' ' ' TRP . 94.2 t -108.92 114.73 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -102.17 113.03 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.442 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 29.8 m-90 -86.61 138.65 31.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.84 171.71 22.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mm-40 -65.15 -28.36 69.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 110.834 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -80.7 14.44 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 63.65 38.15 9.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.1 m170 -123.19 121.35 35.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 77.1 p -94.3 142.7 27.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 97.7 m-85 -143.63 179.68 6.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.425 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 31.6 m80 -87.57 110.65 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -37.96 -37.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.4 p -71.72 -47.69 52.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.502 ' HB3' HG21 ' A' ' 20' ' ' ILE . 92.1 m -61.29 -63.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 61' ' ' VAL . 8.3 tpp -35.06 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.591 ' O ' HG22 ' A' ' 61' ' ' VAL . 12.3 t -52.47 -41.4 63.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 56' ' ' CYS . 54.1 mt -78.15 -31.17 49.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 22.7 t-105 -66.6 -36.79 83.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 57' ' ' MET . 17.4 m -68.22 -22.19 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -57.14 -29.85 63.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -118.02 -40.33 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 32.4 m-20 -136.23 111.63 9.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -90.08 43.78 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -141.1 131.15 24.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' GLN . 16.4 t -39.39 121.27 1.34 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 3.79 2.58 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.725 2.283 . . . . 0.0 112.321 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.2 mt -105.92 -46.95 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.487 ' O ' ' C ' ' A' ' 71' ' ' GLN . 21.5 p -124.03 22.27 8.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 31.03 42.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.8 mt-30 -103.8 161.04 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.765 ' O ' HG23 ' A' ' 75' ' ' VAL . 9.1 t0 -53.87 92.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.464 ' NE1' ' HG2' ' A' ' 57' ' ' MET . 57.9 t-105 -46.9 119.5 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 73' ' ' ASP . 89.0 t -132.91 100.02 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 44' ' ' VAL . 96.2 t -51.48 105.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -79.5 -55.23 5.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -153.45 161.09 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 80' ' ' GLY . 54.5 mt -135.71 153.28 32.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 143.52 176.53 17.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 119.288 -0.386 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t 41.98 42.65 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.6 p -112.47 125.35 54.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.21 127.43 2.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -145.3 158.15 43.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -171.99 147.78 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 132.22 3.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ttp -107.22 124.01 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' A' ' 10' ' ' SER . 45.7 m95 -98.82 169.05 9.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' TRP . 40.0 t -37.31 147.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -67.28 -173.64 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -114.02 40.82 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG22 ' HD1' ' A' ' 11' ' ' TRP . 21.7 m -73.15 1.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -88.38 6.46 37.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.1 m -103.58 -175.69 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.12 29.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.3 m -45.82 117.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' ARG . 44.3 t -45.18 112.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.98 -33.01 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 56' ' ' CYS . 44.5 mt -47.82 -45.21 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -119.48 -9.37 9.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.7 mmm180 67.65 38.13 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.8 t -122.63 145.28 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -43.69 108.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 43' ' ' VAL . 4.9 p -49.24 -36.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mtt -66.54 -34.15 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.08 174.73 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -76.28 150.59 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.7 p -74.57 164.7 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.75 -14.46 5.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -88.42 -39.55 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 62.6 m -82.12 -29.31 31.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 33.9 mt-30 -68.62 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.22 -39.61 19.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.34 -11.2 59.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 69.33 41.94 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -111.11 25.63 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 22.0 mt-30 -54.51 -51.18 65.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.18 -33.35 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 42' ' ' VAL . 17.6 t70 -90.28 -40.86 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.4 t -56.85 90.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 40' ' ' ASP . 27.1 m -104.37 177.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.5 t -102.34 129.98 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.578 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 p -115.48 111.35 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.485 ' CD1' ' HB3' ' A' ' 51' ' ' SER . 30.0 m-90 -87.55 139.55 30.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.39 160.36 13.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -57.07 -23.74 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.3 p -77.87 8.08 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 m120 64.36 44.5 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 46.5 m170 -136.18 118.41 15.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.485 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 95.7 p -89.15 142.25 27.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 98.3 m-85 -144.48 -175.49 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.402 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 m170 -93.87 114.14 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -41.57 -40.12 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.6 p -67.81 -49.09 64.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' HB3' HG21 ' A' ' 20' ' ' ILE . 76.3 m -62.7 -60.66 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.621 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.6 tpt -42.05 -53.33 3.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -50.31 -31.77 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.31 -53.11 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 19.6 t-105 -49.85 -44.89 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 57' ' ' MET . 16.1 m -55.79 -27.17 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -59.38 -40.78 87.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -94.32 -44.25 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -131.52 108.43 9.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 m120 -80.02 42.53 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.426 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 73.6 mtt180 -148.4 132.82 17.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.5 t -44.43 126.91 4.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.662 0.744 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.84 4.62 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.452 HD22 ' HZ ' ' A' ' 52' ' ' PHE . 8.6 mp -110.45 -53.71 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 72' ' ' GLN . 5.4 p -104.06 7.64 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 33.34 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 70' ' ' CYS . 5.3 mm100 -119.79 164.93 15.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -39.89 110.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 54.6 t-105 -83.2 118.8 23.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -123.45 116.67 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.9 t -63.11 105.88 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.21 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -151.45 157.35 42.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 44' ' ' VAL . 23.4 mt -127.86 145.03 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.44 -175.65 34.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.0 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 119.294 -0.384 . . . . 0.0 110.91 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -53.08 -45.69 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -123.65 143.68 50.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.12 -51.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 m -55.51 117.31 3.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.2 p -147.71 123.78 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.06 175.09 43.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.9 mtp -147.29 117.15 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -59.11 124.96 21.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.5 m -146.04 123.91 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.677 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -115.01 -173.72 2.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.13 36.57 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.677 HG22 ' HD1' ' A' ' 11' ' ' TRP . 4.0 m -82.34 36.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -90.11 155.93 18.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 p -154.57 161.21 41.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 50.46 44.69 26.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 m -91.7 127.4 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.0 t -45.76 107.32 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.25 -28.13 63.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 56' ' ' CYS . 17.7 mt -51.18 -46.07 31.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.0 p -121.32 -6.74 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 28.6 mmt85 64.66 39.71 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.6 151.66 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -48.49 109.0 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -50.64 -32.67 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 48.2 mmm -72.68 -32.16 65.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.93 170.97 8.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.27 150.51 43.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.72 172.02 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.0 -15.33 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -88.72 -30.51 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 65.8 m -91.26 -31.2 16.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -67.48 -31.36 71.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.65 -36.93 15.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -86.2 -4.99 59.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 64.19 40.21 6.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -105.71 21.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.2 mp0 -51.14 -57.8 7.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' GLN . 67.6 mt-10 -37.76 -33.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.66 -36.94 15.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.8 t -61.23 82.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -94.29 176.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.574 ' HB ' ' CH2' ' A' ' 45' ' ' TRP . 99.5 t -101.06 124.48 54.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.3 p -110.98 111.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CH2' ' HB ' ' A' ' 43' ' ' VAL . 22.8 m-90 -88.89 140.39 29.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.67 169.74 14.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.13 -24.22 67.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.7 p -79.81 10.68 3.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 64.44 44.08 4.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 54.6 m170 -134.72 122.37 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.532 ' HB3' ' CD1' ' A' ' 45' ' ' TRP . 37.5 p -94.36 143.58 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 50' ' ' HIS . 97.1 m-85 -142.93 -175.04 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -92.54 112.35 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.453 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -39.17 -37.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.7 p -70.8 -47.98 56.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.5 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.8 m -65.34 -57.94 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.721 ' O ' HG13 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -40.95 -35.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 m -78.24 -32.63 49.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 56' ' ' CYS . 56.3 mt -86.37 -10.38 54.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 12.9 t-105 -95.69 -40.89 9.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 57' ' ' MET . 19.8 m -56.32 -27.07 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 15.0 pttm -55.23 -46.98 75.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 16.6 pt20 -87.27 -41.37 13.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 10.2 m-20 -143.15 113.87 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 65' ' ' ASN . 3.7 p-10 -82.87 41.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -137.3 152.28 49.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 71' ' ' GLN . 8.8 t -63.0 124.26 83.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.565 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.73 7.24 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.695 2.263 . . . . 0.0 112.356 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -115.28 -43.23 3.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.459 ' O ' ' C ' ' A' ' 71' ' ' GLN . 22.3 p -122.91 11.11 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.42 38.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' CYS . 21.9 mt-30 -105.87 153.46 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.3 t0 -40.79 98.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.501 ' NE1' ' SD ' ' A' ' 57' ' ' MET . 61.8 t-105 -58.51 124.93 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 73' ' ' ASP . 65.4 t -134.91 106.3 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -54.32 116.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -89.71 -60.8 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 5.2 ptp180 -152.17 157.28 41.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.1 mt -136.87 134.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.75 146.22 5.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.842 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -85.02 46.31 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -103.04 -58.82 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.61 -176.83 2.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -106.24 42.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.818 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -99.81 -56.12 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.45 -175.73 43.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.438 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.8 ptm -124.05 126.6 46.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.754 0.311 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -62.06 140.47 58.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 m -116.91 95.39 4.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -91.11 -173.43 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -115.69 29.01 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 11' ' ' TRP . 11.6 m -59.11 -21.8 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -71.29 141.91 50.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 m -97.96 93.02 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -133.71 44.95 2.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.4 m -145.06 110.03 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.5 t -40.04 112.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.91 -27.56 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 56' ' ' CYS . 33.9 mt -54.7 -50.03 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.6 p -111.87 -13.82 13.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.3 mmm180 71.46 37.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.4 t -123.21 151.23 27.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -47.01 105.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG2' HG13 ' A' ' 43' ' ' VAL . 2.6 p -47.54 -32.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 55.9 mmm -70.09 -34.42 73.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -96.37 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -75.18 148.85 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 26.3 p -76.44 160.79 29.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.38 -14.81 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -86.08 -40.14 16.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' ASN . 69.0 m -80.76 -36.7 31.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -60.84 -32.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.2 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.44 -2.15 49.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' CYS . 12.9 t-20 65.11 36.38 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -89.15 20.5 3.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 27.3 mt-30 -47.7 -46.35 29.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -46.42 -28.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -95.49 -34.86 11.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.03 97.24 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 25.3 m -116.12 -178.74 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 25' ' ' VAL . 51.1 t -99.96 127.89 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.726 HG23 HG13 ' A' ' 79' ' ' ILE . 4.7 p -114.28 116.32 52.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -89.73 139.77 30.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.96 168.8 13.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -54.44 -24.22 19.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 9.9 p -88.79 21.52 3.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.526 ' CG ' ' O ' ' A' ' 48' ' ' CYS . 1.6 p-10 49.43 39.33 16.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.475 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 59.5 m170 -116.71 117.28 29.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.2 p -81.49 138.17 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 75.8 m-85 -143.83 -178.97 6.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -91.34 107.98 19.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -41.11 -37.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.3 p -72.56 -47.53 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' LEU . 68.7 m -64.2 -58.82 5.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.617 ' SD ' HG13 ' A' ' 61' ' ' VAL . 18.8 tpp -38.9 -59.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.5 p -45.67 -33.23 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.827 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' CYS . 26.4 mt -84.45 -50.22 7.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.481 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 35.0 t-105 -47.92 -46.46 31.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' SD ' ' A' ' 57' ' ' MET . 18.6 m -56.64 -24.9 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' CD ' ' HA ' ' A' ' 59' ' ' LEU . 7.4 mtpm? -59.23 -33.46 71.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 8.2 pt20 -106.68 -40.68 5.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 71.2 m-20 -134.65 107.14 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 1.6 m-80 -82.09 42.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 28.7 mtt180 -146.82 133.83 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' GLN . 9.5 t -46.94 122.77 7.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.481 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.4 Cg_endo -69.75 5.77 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.5 mp -111.87 -42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' GLN . 8.7 p -122.1 12.1 10.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 33.43 36.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.3 mt-30 -107.3 154.99 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 75' ' ' VAL . 23.9 t70 -42.86 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLN . 62.1 t-105 -55.55 126.31 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 73' ' ' ASP . 46.5 t -134.82 100.29 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 79' ' ' ILE . 90.2 t -53.65 113.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -84.71 -61.91 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -154.44 159.45 41.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 44' ' ' VAL . 5.0 mp -134.49 145.14 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 156.73 174.64 26.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.431 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.904 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -149.7 153.61 37.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.847 0.356 . . . . 0.0 110.831 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 t -174.57 147.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.3 138.31 3.65 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -134.84 153.92 51.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -124.36 176.25 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.26 146.2 4.94 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 96.0 mmm -141.64 166.76 23.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.724 0.297 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -116.44 158.81 22.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -115.68 159.11 21.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.979 ' CH2' HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -64.45 120.88 13.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -131.31 37.17 3.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.979 HG23 ' CH2' ' A' ' 11' ' ' TRP . 16.1 m -129.33 44.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 13' ' ' VAL . 15.9 mm-40 -33.52 129.52 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 m -148.33 -175.52 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.83 30.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -62.67 123.72 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.8 t -46.48 111.46 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.21 -30.99 65.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.455 HG21 ' HB3' ' A' ' 56' ' ' CYS . 38.5 mt -49.38 -43.2 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.4 p -122.45 -6.95 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.1 mmm180 64.45 38.5 7.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 24' ' ' GLN . 88.5 t -120.61 154.09 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' N ' HG12 ' A' ' 23' ' ' VAL . 67.3 mm-40 -53.8 106.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' CB ' ' A' ' 51' ' ' SER . 5.0 p -46.24 -41.51 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 9.2 mmt -60.15 -34.8 74.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -98.78 173.83 6.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.82 158.85 30.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.3 p -79.98 173.08 12.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.15 -15.0 63.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -87.27 -30.5 20.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 75.5 m -92.48 -34.77 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -66.0 -33.96 77.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.21 -37.05 20.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.69 -4.76 58.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 63.24 39.7 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.67 26.26 10.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -55.03 -42.45 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -42.93 -34.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' ' 42' ' ' VAL . 10.2 t0 -87.67 -40.02 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.77 95.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 40' ' ' ASP . 35.6 m -110.3 176.24 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 88.0 t -99.6 116.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.7 p -101.41 114.12 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.8 m-90 -88.14 138.02 31.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.13 161.45 13.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -57.59 -22.63 46.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.2 p -79.61 7.07 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.16 46.55 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 50.0 m170 -135.93 121.67 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.468 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 58.0 p -86.83 140.38 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 94.5 m-85 -143.07 -176.04 4.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -95.16 113.28 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' ND2' ' H ' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -40.79 -39.96 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -68.78 -48.0 64.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.455 ' HB3' HG21 ' A' ' 20' ' ' ILE . 94.6 m -62.42 -62.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.779 ' O ' HG13 ' A' ' 61' ' ' VAL . 4.1 tpt -42.06 -48.32 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 55.7 m -55.15 -32.26 61.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.2 mt -86.4 -53.18 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 9.0 t-105 -49.67 -41.7 43.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.779 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -58.13 -23.92 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.123 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.68 -47.35 80.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.41 -38.27 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 7.2 m120 -129.01 100.25 5.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -81.15 41.02 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -146.2 132.98 20.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.7 t -41.81 123.24 2.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.641 0.734 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.77 3.02 3.02 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -106.39 -44.07 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' GLN . 6.4 p -117.66 12.34 13.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.529 ' N ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER 31.38 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' CYS . 14.5 mm-40 -115.17 164.71 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' OD2' HG23 ' A' ' 75' ' ' VAL . 19.3 t70 -40.25 116.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 59.1 t-105 -88.11 119.1 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG23 ' OD2' ' A' ' 73' ' ' ASP . 89.3 t -127.05 117.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 79' ' ' ILE . 84.1 t -64.84 97.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -67.08 -57.98 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -154.04 155.64 35.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.41 HD11 HG11 ' A' ' 76' ' ' VAL . 32.8 mt -126.13 140.99 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.49 164.81 12.94 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.453 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 119.305 -0.379 . . . . 0.0 110.886 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -134.01 169.76 16.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -125.36 150.05 47.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.28 -166.22 18.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -148.97 133.71 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.865 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -96.76 112.78 24.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.33 157.19 17.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.434 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 mmt -134.26 145.71 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -89.49 164.92 14.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m -130.66 134.83 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -107.14 -174.42 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 12' ' ' ASP . 1.4 p-10 -78.51 45.5 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.62 HG13 ' CD1' ' A' ' 11' ' ' TRP . 4.5 m -45.85 -23.51 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -111.3 125.99 54.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -82.25 85.3 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.659 ' O ' HG12 ' A' ' 25' ' ' VAL . 3.3 m-20 -129.67 60.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 23' ' ' VAL . 9.0 m -129.92 129.25 43.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ARG . 41.2 t -50.49 112.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.96 -29.64 63.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 56' ' ' CYS . 25.6 mt -51.89 -44.73 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -119.6 -7.78 10.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 18' ' ' CYS . 26.1 mmt180 65.95 40.1 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.632 HG21 ' H ' ' A' ' 30' ' ' LEU . 60.1 t -123.62 143.19 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 10.4 mp0 -45.08 106.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 16' ' ' ASP . 6.2 p -46.97 -32.94 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.2 mmt -66.48 -34.63 78.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.9 173.82 6.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.589 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . . . -74.25 145.03 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.612 ' HA ' HG11 ' A' ' 23' ' ' VAL . 31.6 p -65.6 165.11 12.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.632 ' H ' HG21 ' A' ' 23' ' ' VAL . 14.1 mt -62.33 -17.82 59.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -82.25 -30.37 30.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.7 m -89.62 -42.48 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.39 -28.65 65.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.43 16.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HB2' ' CD ' ' A' ' 37' ' ' LYS . 59.1 mt-10 -89.47 2.11 54.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 60.92 45.75 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' CD ' ' HB2' ' A' ' 35' ' ' GLU . 21.6 mtpt -119.1 18.56 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.589 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -57.36 -45.33 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -48.11 -29.45 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.3 -27.52 16.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.5 t -64.98 82.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 m -88.77 -178.64 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 25' ' ' VAL . 96.4 t -110.22 121.83 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 44' ' ' VAL . 12.5 p -106.73 111.91 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -85.06 137.72 32.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.557 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -103.17 162.69 15.96 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -31.53 62.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.8 p -70.05 -1.56 10.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 73.55 46.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.505 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 54.2 m170 -132.5 125.64 31.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG21 ' A' ' 25' ' ' VAL . 69.2 p -85.94 138.4 32.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 96.5 m-85 -143.68 177.25 8.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.429 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 33.0 m80 -92.16 112.85 24.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.67 -38.27 1.99 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 24.8 p -69.35 -44.69 71.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 79.9 m -67.37 -60.7 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.746 ' SD ' HG13 ' A' ' 61' ' ' VAL . 12.5 tpp -39.08 -62.9 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 t -42.9 -33.35 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -87.38 -30.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.512 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 28.1 t-105 -68.7 -31.7 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.746 HG13 ' SD ' ' A' ' 57' ' ' MET . 5.5 m -71.07 -20.42 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -65.49 -25.3 67.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -115.63 -42.07 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -136.59 108.29 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' C ' ' HG3' ' A' ' 66' ' ' ARG . 11.4 p-10 -83.96 40.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' C ' ' A' ' 65' ' ' ASN . 32.2 mtt-85 -143.92 130.94 20.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 71' ' ' GLN . 13.1 t -42.6 124.27 2.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.673 0.749 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.512 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.2 Cg_endo -69.85 5.26 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 83.8 mt -111.9 -43.11 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 72' ' ' GLN . 7.2 p -119.21 9.04 11.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER 34.2 34.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' CYS . 15.0 mt-30 -109.27 154.96 21.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' GLN . 11.4 t0 -37.15 103.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.557 ' CZ3' ' HA3' ' A' ' 46' ' ' GLY . 54.3 t-105 -74.6 126.0 29.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -133.73 126.55 51.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG13 ' CG2' ' A' ' 44' ' ' VAL . 56.0 t -68.29 103.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -76.26 -60.26 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -154.08 160.35 41.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 44' ' ' VAL . 25.6 mt -132.76 154.16 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.425 ' N ' HG22 ' A' ' 79' ' ' ILE . . . 144.51 166.56 11.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 119.314 -0.374 . . . . 0.0 110.909 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -98.0 88.51 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -83.29 -57.6 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.3 119.02 0.69 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -123.88 128.93 50.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -63.18 167.95 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.05 87.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.8 mtt -100.57 87.5 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.332 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -73.95 134.84 43.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.4 t -57.54 155.14 10.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.718 ' CD1' HG13 ' A' ' 13' ' ' VAL . 1.0 OUTLIER -105.58 -12.27 16.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 52.51 47.22 25.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.718 HG13 ' CD1' ' A' ' 11' ' ' TRP . 12.7 m -72.52 -23.53 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 14' ' ' GLU . 1.1 tm-20 -69.45 136.2 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 91.3 m -133.66 93.51 3.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -134.42 41.3 2.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.1 m -84.43 130.12 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' ARG . 46.6 t -48.44 109.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.54 -27.23 63.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 56' ' ' CYS . 27.9 mt -53.88 -46.31 63.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.069 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 p -119.18 -6.98 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 18' ' ' CYS . 27.2 mmt180 64.23 41.06 6.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 ' O ' ' A' ' 28' ' ' ALA . 46.4 t -124.89 147.58 29.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 27' ' ' ASP . 6.1 mm-40 -46.2 103.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.533 HG21 ' OG ' ' A' ' 51' ' ' SER . 4.7 p -41.43 -48.28 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.497 ' N ' HG13 ' A' ' 25' ' ' VAL . 77.6 mmm -57.95 -34.04 69.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' GLN . 89.0 m-20 -94.81 172.53 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -74.4 156.59 36.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.2 p -80.64 175.3 10.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.0 mt -68.26 -14.39 62.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -90.02 -29.65 18.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.8 m -93.42 -30.58 15.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 23.0 mt-30 -68.05 -34.72 76.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.38 -35.46 19.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -84.92 -4.16 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.36 40.32 11.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -108.82 21.06 17.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' CYS . 18.7 mt-30 -51.37 -51.06 57.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -39.28 -33.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -90.7 -35.21 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLN . 1.9 t -62.8 89.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -103.12 179.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 51' ' ' SER . 89.9 t -104.47 122.07 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.8 p -111.01 111.73 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 24.8 m-90 -80.54 142.34 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.95 158.61 15.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.38 -28.03 40.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.66 8.02 5.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 66.52 45.06 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -133.38 119.67 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.533 ' OG ' HG21 ' A' ' 25' ' ' VAL . 71.6 p -84.57 141.43 30.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.2 m-85 -143.97 179.76 6.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 56' ' ' CYS . 31.5 m80 -93.42 105.91 17.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 53' ' ' HIS . 1.4 p30 -35.19 -40.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 p -67.83 -48.71 65.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 59' ' ' LEU . 76.3 m -63.21 -64.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 61' ' ' VAL . 11.2 tpp -35.49 -61.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.532 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.8 t -44.15 -37.49 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.4 mt -82.45 -35.92 27.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 24.3 t-105 -61.59 -39.64 91.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' A' ' 57' ' ' MET . 13.1 m -60.37 -29.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.78 -36.02 34.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 64' ' ' ASN . 14.3 pt20 -109.02 -40.77 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' N ' ' HG3' ' A' ' 63' ' ' GLN . 67.4 m-80 -134.02 104.93 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -83.34 40.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -145.21 133.57 21.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' GLN . 11.6 t -40.39 121.14 1.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.646 0.736 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.5 Cg_endo -69.75 6.68 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.5 mt -110.24 -47.33 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.2 p -122.21 15.1 10.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER 33.88 41.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' TRP . 28.2 mt-30 -106.97 151.83 24.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.11 96.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' GLN . 63.9 t-105 -60.35 122.43 14.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.24 103.21 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.675 HG11 HD11 ' A' ' 79' ' ' ILE . 98.3 t -47.85 107.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -87.94 -57.79 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' C ' HG13 ' A' ' 79' ' ' ILE . 10.4 mmm180 -131.45 161.68 31.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.675 HD11 HG11 ' A' ' 76' ' ' VAL . 37.9 mt -143.88 132.98 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.2 -166.83 23.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 119.243 -0.408 . . . . 0.0 110.874 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -75.75 165.85 24.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -90.77 144.41 25.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.49 150.58 31.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -121.34 139.17 53.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -140.64 129.93 23.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.79 137.8 3.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.2 mmm -143.94 156.56 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.734 0.302 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -85.4 146.55 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.6 p -137.53 155.02 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.1 -172.12 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.506 ' O ' ' C ' ' A' ' 13' ' ' VAL . 2.6 m-20 -94.22 -44.02 8.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.506 ' C ' ' O ' ' A' ' 12' ' ' ASP . 30.1 m 28.93 45.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' ASP . 12.6 pt-20 -97.32 136.06 38.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 m -149.81 164.19 35.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 49.69 28.42 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -66.07 123.23 19.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' ARG . 47.1 t -44.01 108.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -25.26 62.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.2 mt -56.54 -47.93 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.1 p -116.16 -7.81 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' CYS . 24.9 mmt85 64.94 38.77 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 24' ' ' GLN . 98.1 t -122.85 153.8 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 23' ' ' VAL . 38.0 mm-40 -52.87 106.98 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG11 ' OG ' ' A' ' 51' ' ' SER . 3.1 p -46.23 -36.75 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.62 -38.45 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -95.38 163.15 13.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' HG2' ' A' ' 33' ' ' GLN . . . -68.81 149.72 48.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 30.1 p -69.53 166.71 18.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 mt -62.96 -15.17 54.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 53.2 mmm-85 -86.87 -30.56 21.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.3 m -91.13 -34.11 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.404 ' HG2' ' HB3' ' A' ' 28' ' ' ALA . 44.2 mt-30 -66.17 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.9 -41.19 19.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -76.67 -14.13 59.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 72.61 40.95 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -117.6 30.89 7.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.79 -43.96 90.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -42.12 -35.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -86.97 -39.49 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.41 95.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 36.0 m -112.02 177.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 25' ' ' VAL . 85.4 t -95.84 120.17 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.2 p -107.29 112.27 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -89.98 128.4 36.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -98.2 162.03 20.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -56.99 -24.06 50.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 29.0 p -77.6 6.37 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m120 64.43 48.83 2.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.474 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 52.6 m170 -136.66 122.01 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.53 ' OG ' HG11 ' A' ' 25' ' ' VAL . 92.9 p -85.06 138.52 32.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 88.3 m-85 -143.89 -175.64 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' CYS . 35.3 m80 -97.37 110.68 23.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -36.34 -39.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -69.97 -45.8 66.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 53' ' ' HIS . 98.6 m -63.84 -57.14 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.617 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.0 tpt -48.58 -46.78 39.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.819 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -57.37 -33.1 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.5 mt -84.86 -32.21 23.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.594 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 42.1 t-105 -70.61 -45.07 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 57' ' ' MET . 31.0 m -55.33 -18.21 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -69.26 -39.03 78.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -96.08 -38.7 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.501 ' ND2' ' HE1' ' A' ' 60' ' ' TRP . 7.8 t30 -140.09 120.14 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -80.05 14.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' A' ' 64' ' ' ASN . 84.9 mtt180 -114.66 159.86 20.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' GLN . 43.5 t -74.26 131.17 81.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.594 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.8 Cg_endo -69.82 5.7 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.605 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.1 mp -113.88 -45.64 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 71' ' ' GLN . 6.4 p -117.66 10.75 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.59 38.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -109.17 176.5 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.86 97.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.48 ' CZ2' ' SD ' ' A' ' 57' ' ' MET . 71.7 t-105 -63.35 126.53 27.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t -137.24 108.79 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.405 HG11 HD11 ' A' ' 79' ' ' ILE . 89.2 t -49.24 117.19 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -99.75 -54.43 2.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -137.89 161.92 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.405 HD11 HG11 ' A' ' 76' ' ' VAL . 96.2 mt -145.79 136.91 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.26 -177.37 17.46 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.88 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -70.53 174.83 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -132.82 92.63 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.89 176.37 2.38 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -142.47 137.03 30.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -94.99 144.08 25.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.76 147.27 16.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ptm -98.58 179.02 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.713 0.292 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -94.28 175.71 6.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -65.66 172.5 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -54.49 -173.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -114.56 44.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.7 m -80.43 46.03 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -110.05 20.56 17.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -94.96 -174.74 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.466 ' O ' ' C ' ' A' ' 17' ' ' THR . 11.3 t70 -80.28 34.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 16' ' ' ASP . 20.0 m -31.59 117.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' ARG . 39.9 t -43.38 113.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 -31.16 64.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.6 mt -51.44 -45.66 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.59 -8.86 11.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 18' ' ' CYS . 19.3 mmm180 65.1 41.07 4.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.68 146.12 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -43.19 103.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 26' ' ' MET . 3.6 p -43.23 -47.56 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 25' ' ' VAL . 19.3 mmt -56.06 -35.04 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -95.75 170.12 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.488 ' CB ' ' HG2' ' A' ' 38' ' ' GLN . . . -74.71 150.06 39.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.5 p -71.25 160.2 33.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.1 mt -57.36 -15.46 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.24 -37.38 21.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 58.9 m -84.09 -37.04 22.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.23 -44.77 71.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -93.79 4.44 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 57.65 39.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -92.04 14.84 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' HG2' ' CB ' ' A' ' 28' ' ' ALA . 25.6 mt-30 -44.58 -48.09 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -39.76 -34.22 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -93.67 -37.84 11.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.31 89.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.67 173.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.5 118.17 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -105.55 116.53 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.9 m-90 -90.16 142.61 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' CZ3' ' A' ' 74' ' ' TRP . . . -108.75 160.7 13.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -55.66 -27.36 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.4 p -72.9 -2.28 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 74.8 45.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -135.64 126.21 26.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.7 p -86.82 140.1 30.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 69' ' ' LEU . 82.1 m-85 -143.5 -175.11 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 54' ' ' ASN . 26.7 m170 -95.63 110.93 22.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -38.31 -39.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.6 p -69.74 -47.79 61.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' LEU . 77.2 m -65.45 -57.04 9.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -41.84 -44.51 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.5 m -66.37 -32.32 73.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' CYS . 74.6 mt -82.92 -23.89 33.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 53.4 t-105 -77.53 -42.65 34.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG13 ' SD ' ' A' ' 57' ' ' MET . 16.2 m -55.78 -13.31 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.171 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -102.55 -39.12 7.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -140.7 120.29 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -81.25 14.88 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 -115.09 166.77 11.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' GLN . 51.0 t -77.8 129.41 76.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.6 Cg_endo -69.78 6.46 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.474 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 93.0 mt -114.49 -42.21 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' GLN . 11.7 p -123.52 11.94 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER 33.01 35.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.5 mt-30 -105.9 154.63 20.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -41.72 102.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 57' ' ' MET . 66.5 t-105 -70.47 135.7 48.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 97.3 t -146.3 108.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.799 HG11 HD11 ' A' ' 79' ' ' ILE . 78.8 t -49.17 108.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -91.1 -57.45 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.438 ' C ' HG13 ' A' ' 79' ' ' ILE . 3.4 mmm180 -131.43 161.61 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.799 HD11 HG11 ' A' ' 76' ' ' VAL . 86.8 mt -150.26 133.81 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 81' ' ' LYS . . . 110.01 138.42 8.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 80' ' ' GLY . 1.3 mptm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -95.35 88.97 5.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 m -85.25 176.7 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.61 -169.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -92.11 -56.69 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.839 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -155.78 148.4 23.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.17 43.26 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ttt -169.42 125.46 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.739 0.304 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -65.51 172.95 2.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -70.3 177.91 3.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.538 ' HD1' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -110.26 -173.05 2.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -115.19 35.9 4.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG22 ' HD1' ' A' ' 11' ' ' TRP . 33.8 m -62.02 -28.23 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -137.5 131.63 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -132.91 31.89 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.495 ' O ' ' CG1' ' A' ' 25' ' ' VAL . 6.3 t0 -132.56 53.46 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.3 m -87.14 120.94 28.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' ARG . 48.9 t -43.89 106.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.96 66.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 56' ' ' CYS . 14.4 mt -52.26 -52.68 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.0 p -113.41 -6.81 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' CYS . 11.4 mmm180 64.29 39.76 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 24' ' ' GLN . 99.8 t -120.64 156.89 23.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' N ' HG12 ' A' ' 23' ' ' VAL . 7.3 mm-40 -54.47 103.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 43' ' ' VAL . 7.0 p -45.06 -34.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 6.9 mtp -68.05 -37.01 80.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -96.2 171.71 8.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.643 ' HB3' ' OE1' ' A' ' 38' ' ' GLN . . . -71.81 157.02 38.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 28.1 p -82.14 162.94 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.12 -14.86 2.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -88.11 -33.96 18.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 64.8 m -88.08 -29.79 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -65.07 -39.1 92.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.43 64.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -82.3 -14.76 54.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 71.9 38.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -103.15 28.03 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.643 ' OE1' ' HB3' ' A' ' 28' ' ' ALA . 1.4 mm-40 -44.92 -54.55 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -45.36 -33.36 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -81.13 -34.26 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -76.97 85.49 3.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -99.39 176.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 25' ' ' VAL . 60.9 t -101.03 117.35 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -105.84 111.37 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 78' ' ' ARG . 26.5 m-90 -80.41 150.77 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.4 158.52 14.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -55.1 -28.77 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.375 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.79 5.18 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 69.87 43.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 55.4 m170 -130.89 123.29 28.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 82.9 p -91.18 140.8 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' HD13 ' A' ' 69' ' ' LEU . 97.1 m-85 -142.88 176.97 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.43 ' NE2' ' HA ' ' A' ' 25' ' ' VAL . 30.9 m80 -88.31 112.04 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' HIS . 0.5 OUTLIER -37.55 -41.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.15 -47.83 67.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.439 ' HB3' HD13 ' A' ' 20' ' ' ILE . 87.0 m -63.43 -64.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.6 tpt -42.64 -44.97 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m -57.88 -33.78 69.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' CYS . 22.5 mt -85.47 -35.63 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.552 ' CZ2' ' HB3' ' A' ' 68' ' ' PRO . 18.2 t-105 -66.54 -46.72 75.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 57' ' ' MET . 33.8 m -55.62 -24.57 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -61.31 -37.67 84.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -99.32 -43.84 6.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -131.68 107.0 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -80.58 44.87 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -146.41 137.3 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' GLN . 23.0 t -50.06 123.74 16.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 60' ' ' TRP . 53.3 Cg_endo -69.81 6.1 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.669 2.246 . . . . 0.0 112.284 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 9.7 mp -109.99 -44.85 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLN . 20.1 p -128.42 19.68 6.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.5 40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' CYS . 24.4 mt-30 -102.73 150.19 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.4 m-20 -40.52 97.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CE2' ' HG2' ' A' ' 57' ' ' MET . 60.9 t-105 -58.49 119.66 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 73' ' ' ASP . 84.6 t -134.46 103.39 4.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 79' ' ' ILE . 87.6 t -48.93 109.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 78' ' ' ARG . 12.3 tt0 -90.42 -49.67 6.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HB2' ' CE3' ' A' ' 45' ' ' TRP . 15.1 mtt-85 -141.53 161.7 37.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 76' ' ' VAL . 90.9 mt -144.63 139.23 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.76 175.24 14.02 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 119.271 -0.395 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -102.91 165.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.922 0.392 . . . . 0.0 110.814 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -134.21 149.51 51.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.91 -166.95 14.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -125.34 178.86 5.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -42.91 -51.92 5.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.22 -96.88 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.7 ttm -138.64 141.24 39.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -99.34 85.84 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.9 p -71.71 166.07 22.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.741 ' CD1' HG13 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -123.01 -10.06 8.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 50.64 45.93 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.741 HG13 ' CD1' ' A' ' 11' ' ' TRP . 14.2 m -71.0 -20.48 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.576 ' HG2' HG23 ' A' ' 13' ' ' VAL . 7.2 mm-40 -99.18 17.16 20.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ASP . 76.3 m -140.19 134.65 31.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 2.1 p30 34.6 54.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.6 m -135.03 131.97 37.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 22' ' ' ARG . 50.7 t -50.79 108.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -4.86 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.0 mt -81.09 -47.17 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.7 p -116.32 -7.5 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 18' ' ' CYS . 25.3 mmt180 65.48 39.62 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -126.82 144.21 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.76 104.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 43' ' ' VAL . 2.6 p -46.61 -32.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 mmt -69.78 -34.46 73.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.81 171.46 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.574 ' CB ' ' NE2' ' A' ' 38' ' ' GLN . . . -71.64 147.43 47.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -74.69 160.9 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.1 -16.3 2.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -87.39 -30.62 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.7 m -93.12 -23.89 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -70.37 -35.6 73.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.79 -40.74 47.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.82 -11.21 59.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 70.32 37.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -100.81 27.17 6.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.691 ' N ' HE21 ' A' ' 38' ' ' GLN . 1.1 mm-40 -45.04 -59.45 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.03 -28.27 2.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.88 -35.42 26.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.17 85.7 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HE3' ' A' ' 81' ' ' LYS . 35.4 m -94.14 175.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 25' ' ' VAL . 80.6 t -100.37 120.67 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.5 p -106.52 111.53 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 80' ' ' GLY . 31.2 m-90 -83.77 145.42 28.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.66 158.86 14.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.75 -25.24 39.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.3 p -82.08 14.5 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.48 42.91 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 53.5 m170 -130.92 127.93 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.458 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . 53.7 p -99.96 142.2 31.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 50' ' ' HIS . 96.6 m-85 -143.76 -178.17 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' CYS . 33.5 m80 -91.34 107.51 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 53' ' ' HIS . 2.0 p30 -33.24 -38.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 53' ' ' HIS . 26.6 p -71.63 -48.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 53' ' ' HIS . 85.0 m -64.13 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.486 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 tpt -69.27 -48.29 62.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.2 m -57.61 -28.33 63.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -94.12 -31.26 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.425 ' CH2' ' HB3' ' A' ' 68' ' ' PRO . 5.1 t-105 -70.75 -44.91 65.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 57' ' ' MET . 29.5 m -55.78 -27.63 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -57.91 -43.56 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -92.16 -43.73 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.03 107.77 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -82.17 45.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 mtt-85 -144.75 139.16 27.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' GLN . 32.7 t -49.26 124.84 14.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 53.7 Cg_endo -69.74 7.34 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.638 2.225 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -114.61 -47.83 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.503 ' O ' ' C ' ' A' ' 71' ' ' GLN . 19.8 p -120.07 16.55 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.03 39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' CYS . 7.7 mt-30 -108.15 154.9 21.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLN . 35.7 t70 -37.38 103.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -69.17 126.38 29.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 67.2 t -138.65 110.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 79' ' ' ILE . 87.8 t -57.11 105.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -85.92 -60.5 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' HG13 ' A' ' 79' ' ' ILE . 6.3 mmp_? -130.72 161.63 31.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 76' ' ' VAL . 63.8 mt -144.81 134.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' CH2' ' A' ' 45' ' ' TRP . . . 134.94 170.51 12.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.551 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' HE3' HG12 ' A' ' 42' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.245 -0.407 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_