data_2dls_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 2dls _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 ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.7 142.86 50.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -118.98 161.0 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.28 123.49 47.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.01 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.1 134.19 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.408 ' CG2' ' CB ' ' A' ' 41' ' ' ALA . 8.1 mt -117.49 128.51 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -105.75 118.46 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.97 31.57 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.427 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.0 p90 -137.68 153.67 49.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -141.12 146.11 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -123.17 178.26 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -171.0 129.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.8 142.1 3.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.89 -70.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -80.55 -65.78 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CD1' ' O ' ' A' ' 30' ' ' ILE . 2.7 pp -89.86 128.55 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' CG1' HD13 ' A' ' 53' ' ' ILE . 86.2 t -106.61 124.22 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.22 145.02 51.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.67 109.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -70.16 -58.23 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -131.16 167.43 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -145.69 122.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -48.24 145.75 5.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.33 8.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.55 27.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.62 173.13 50.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -52.83 -26.49 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -74.45 -49.55 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.9 tpp -57.77 -43.32 85.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -14.73 61.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.66 -31.28 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.057 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.16 33.79 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.24 110.95 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -107.44 161.28 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.92 121.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.26 40.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.06 108.16 13.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -73.69 129.55 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 ' CG1' ' A' ' 31' ' ' VAL . 23.5 mt -83.5 127.16 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.6 -53.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -124.27 141.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.64 102.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 55.38 44.3 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.21 13.76 81.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.55 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -121.74 103.36 8.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 mtp -61.62 119.46 8.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.88 26.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -57.39 -28.54 63.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 -33.8 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -39.08 158.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . 20.0 m -92.83 153.58 18.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' VAL . 19.8 t-160 -37.35 -65.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 16.5 mt -34.95 -59.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -51.06 -41.74 60.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' HIS . 25.4 t -66.6 -44.57 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -52.77 -63.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.25 -40.51 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.71 -41.66 86.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.47 -22.21 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.52 19.51 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -115.96 106.38 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.29 149.41 24.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.43 -54.26 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 3.9 p90 -107.42 179.75 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.78 118.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.52 107.4 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.1 mt -109.17 132.64 53.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -102.63 98.39 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.96 150.16 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.775 0.322 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -103.35 133.32 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -107.88 157.27 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -114.37 107.5 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -103.33 157.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 12' ' ' VAL . 87.4 mt -133.93 127.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.97 120.16 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.44 133.08 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 pttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 59.3 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.36 36.28 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.1 p90 -136.29 136.57 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 p -118.32 149.53 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.03 176.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -172.42 141.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.29 140.01 3.2 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.88 -48.6 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -110.7 -55.52 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.3 mm -97.13 86.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -66.51 138.24 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 52' ' ' ARG . 16.2 mt -142.88 161.18 38.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.67 115.23 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -69.95 -58.4 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -145.54 172.75 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -145.74 122.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -50.76 143.37 14.89 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -4.91 15.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.17 38.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.46 -129.5 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -17.73 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -79.98 -44.62 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.28 -47.75 84.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -57.12 -29.17 63.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.81 58.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.38 41.06 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.3 t -108.72 143.76 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -125.58 166.42 16.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.82 121.34 26.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.7 21.7 6.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.58 136.16 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' CB ' HD21 ' A' ' 32' ' ' LEU . 19.5 ttm180 -90.4 143.64 26.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 mt -109.86 124.82 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -90.28 -51.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -127.13 149.7 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 t -132.9 118.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 54.16 39.84 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.67 24.95 76.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 m -125.74 128.56 47.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.1 tpt -67.78 116.03 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.6 47.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -81.95 -34.0 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -128.59 50.78 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 p -123.09 154.66 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -69.07 139.74 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -42.99 -44.27 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -53.09 -60.68 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.36 -45.51 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.84 -45.5 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -45.77 -55.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -47.95 -36.75 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.4 mt -65.6 -44.45 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.32 -48.01 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -47.29 -63.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.9 p -73.8 123.68 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' ALA . . . 115.21 112.79 2.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -36.17 -47.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -128.45 157.78 40.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 p -125.26 119.85 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.47 106.67 11.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.42 141.12 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 95.81 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -90.34 141.92 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.9 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.16 143.74 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -116.6 169.48 9.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.29 130.65 56.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.78 136.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.68 127.0 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 27.3 mt -120.77 132.68 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LYS . 28.5 pt20 -113.54 123.44 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' GLN . 32.2 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.943 0.402 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.01 -49.91 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -84.03 139.35 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 p -116.65 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 66' ' ' HIS . 30.1 m -129.07 145.84 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 t -143.16 144.02 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.76 164.16 12.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -107.1 -48.78 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -110.91 -48.66 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.0 mm -106.78 93.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.2 t -68.98 137.62 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 mt -142.98 151.82 41.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.91 103.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.17 -62.18 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -147.46 159.86 43.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 37' ' ' ARG . 97.2 t -137.8 109.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 31.6 ttm-85 -36.72 142.05 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.76 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.48 4.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.43 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.47 -107.87 3.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -119.57 -48.12 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 14' ' ' ILE . . . -58.41 -51.66 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 tpp -50.02 -54.7 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -43.11 -52.42 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.18 -28.98 70.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.6 41.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.71 141.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -150.08 178.32 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.48 148.63 49.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.26 -24.43 32.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.78 148.22 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.813 0.34 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 19.5 ttm105 -115.8 135.21 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.73 130.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -105.42 -54.78 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -118.22 158.42 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -150.52 110.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.78 32.67 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.73 -34.82 4.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.9 m -71.41 117.61 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -76.46 88.78 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 28.1 m -94.38 97.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 p -121.26 -37.44 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -118.64 65.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 m -145.26 179.85 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -95.15 162.84 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.496 ' CD2' HG23 ' A' ' 70' ' ' VAL . 9.6 t-160 -64.28 -57.54 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' HIS . 8.7 tt -36.57 -43.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.61 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -49.41 -29.04 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.496 HG23 ' CD2' ' A' ' 66' ' ' HIS . 91.4 t -60.83 -62.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -47.1 -45.09 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.51 -35.25 52.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.8 -44.03 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -42.2 -48.74 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -71.67 118.94 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.63 4.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.52 -58.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -105.16 176.46 5.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -146.42 138.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.3 mt -108.08 147.4 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -112.44 101.36 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.29 134.78 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.715 0.293 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -116.42 141.4 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -121.21 165.92 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.66 128.09 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 13' ' ' ILE . 10.9 p -125.02 147.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.446 ' N ' HG22 ' A' ' 12' ' ' VAL . 50.4 mt -121.2 136.88 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.35 128.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 153.54 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 21' ' ' PHE . 22.1 mtmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 36.5 m-85 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.93 -19.13 63.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 21' ' ' PHE . 5.0 p90 -94.5 145.3 24.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 p -127.51 165.74 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 66' ' ' HIS . 15.4 m -135.68 166.39 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 p -167.11 123.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 162.3 177.43 35.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -127.61 -43.95 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -108.48 -37.91 5.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 mm -121.83 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.8 128.5 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 52' ' ' ARG . 63.8 mt -142.2 129.28 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 36' ' ' VAL . 21.0 t -46.41 106.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.37 -57.37 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -141.87 167.98 20.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.439 ' CG2' HG13 ' A' ' 33' ' ' VAL . 69.1 t -146.12 110.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 6.2 ttt85 -38.65 140.64 0.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.79 -4.65 14.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.26 39.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.27 -156.77 32.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.17 -22.7 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.11 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttm -52.77 -54.94 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -56.49 -30.95 63.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.76 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.25 43.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.31 136.35 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -136.39 171.93 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.09 147.42 52.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.16 23.1 45.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.57 130.47 47.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' CB ' HD23 ' A' ' 32' ' ' LEU . 35.9 ttt-85 -107.6 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt -81.91 133.27 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -103.38 -48.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HD2' ' CA ' ' A' ' 60' ' ' MET . 5.7 tptt -117.74 149.1 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.13 107.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 62.42 26.9 16.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.32 -9.59 75.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -102.78 103.17 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CA ' ' HD2' ' A' ' 55' ' ' LYS . 3.9 ptm -52.83 130.62 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.1 m -116.47 26.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -56.87 -62.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -91.83 18.91 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -94.67 164.78 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.1 m -100.0 172.43 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.642 ' CE1' ' CG2' ' A' ' 70' ' ' VAL . 1.5 t60 -55.89 -60.86 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.7 mt -41.64 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.36 -55.93 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.1 t -53.04 -41.59 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.642 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 28.2 t -56.48 -61.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -40.63 -38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.91 -35.33 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' VAL . 51.9 mt -65.0 -57.96 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 mtpm? -43.19 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -50.31 92.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LYS . . . 114.45 120.0 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.11 -39.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -117.43 169.35 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.4 p -143.42 124.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.27 103.78 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.16 152.3 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -117.82 105.31 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -97.68 151.9 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -127.27 162.93 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -140.81 152.18 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -96.95 107.93 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.24 129.6 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.93 119.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.09 114.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.04 142.87 29.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.34 25.5 8.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -129.71 128.68 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -105.61 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.455 ' N ' ' OG1' ' A' ' 24' ' ' THR . 2.4 m -140.64 170.35 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.443 ' CB ' ' NE2' ' A' ' 34' ' ' GLN . 1.7 t -164.69 138.89 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.97 125.87 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.83 -70.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -90.8 -36.6 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.34 96.27 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 32' ' ' LEU . 74.9 t -83.57 135.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD21 ' CA ' ' A' ' 52' ' ' ARG . 12.7 mt -144.23 148.89 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.66 100.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' NE2' ' CB ' ' A' ' 26' ' ' SER . 2.9 tp60 -58.05 -58.6 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -147.8 164.51 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.6 t -140.11 121.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.5 ttm-85 -49.35 140.57 12.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.9 Cg_endo -69.75 82.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.37 34.43 8.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.63 -106.55 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -35.21 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.24 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 ttm -67.4 -47.2 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.77 -22.3 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.06 -21.64 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.39 42.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 48' ' ' LYS . 73.6 t -116.48 140.45 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' HG11 ' A' ' 47' ' ' VAL . 16.7 mttp -140.72 157.57 45.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -48.71 129.53 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 53.53 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.78 109.16 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CA ' HD21 ' A' ' 32' ' ' LEU . 14.2 ttp-105 -81.93 132.49 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mt -92.16 138.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.8 mt -110.74 -40.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -132.48 151.76 51.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -147.48 111.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 53.98 31.45 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.34 15.95 65.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -113.51 134.31 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.152 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 ttm -89.44 102.8 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 2.7 m -112.64 38.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 p -68.93 -25.34 64.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -33.39 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.65 159.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -73.07 170.03 15.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.42 -51.61 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -51.01 -40.16 57.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.04 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.12 -52.49 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.7 t -41.36 -50.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -46.22 -49.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.88 -31.84 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.18 -45.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 pttm -95.66 58.56 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -121.18 -37.68 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.79 -179.17 16.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.26 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -124.43 174.81 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.28 134.12 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.83 110.32 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.8 mt -107.46 133.83 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -98.16 97.28 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mt -99.85 138.82 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.864 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -101.68 160.05 14.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -112.73 141.53 46.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.05 129.86 49.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -138.67 149.2 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -140.08 123.09 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 24.7 mt -103.7 137.94 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -116.49 135.68 53.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.76 43.04 1.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.43 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.6 p90 -137.64 138.07 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -122.72 140.94 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG21 ' CD2' ' A' ' 66' ' ' HIS . 26.7 m -124.62 177.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -174.47 152.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.28 135.79 3.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.28 -74.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -56.93 -49.36 75.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.5 167.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.8 t -130.14 115.4 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.6 mt -120.71 154.56 35.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 47' ' ' VAL . 88.0 t -68.95 107.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.78 -53.54 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -153.23 157.23 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.57 121.77 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 14.1 ttp85 -56.3 138.92 74.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.696 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.1 Cg_endo -69.77 99.29 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.43 21.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.61 -113.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -124.33 -50.67 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 14' ' ' ILE . . . -54.6 -51.01 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.4 tpp -50.9 -48.02 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -50.17 -42.03 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 50.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 33' ' ' VAL . 47.1 t -116.54 126.05 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.63 155.03 48.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.09 133.92 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.64 -27.71 9.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.23 138.24 45.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.8 ttm105 -115.49 111.66 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mt -73.06 137.53 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -112.26 -47.28 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -134.11 169.78 16.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -142.91 114.07 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 p30 44.66 31.36 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -35.3 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -68.11 123.19 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 ttt -74.64 134.67 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.41 20.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -68.88 120.44 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.05 33.51 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -114.44 147.07 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.8 p -61.42 166.86 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.496 ' CD2' HG21 ' A' ' 25' ' ' VAL . 11.6 t-160 -64.84 -65.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' HIS . 4.8 tp -36.46 -60.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -38.96 -49.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -72.45 -41.39 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -42.42 -48.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -55.84 -44.81 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.18 -44.32 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -81.27 71.61 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 t -160.39 157.89 28.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.21 -151.53 4.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.49 -32.19 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 2.1 p90 -138.01 157.85 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.2 p -131.37 124.77 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.57 134.1 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.0 mt -129.22 113.79 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -88.54 97.57 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.2 mt -90.15 165.07 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -92.53 142.33 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -122.39 149.18 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.6 120.97 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -119.12 139.67 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.461 ' N ' HG21 ' A' ' 12' ' ' VAL . 97.5 mt -112.42 123.46 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -111.64 119.55 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 134.27 41.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.04 39.59 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -138.28 132.56 31.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -109.22 153.26 24.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 27.6 m -131.22 158.04 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -148.98 144.75 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.93 154.06 6.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 -51.28 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -106.48 -68.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 tp -88.6 78.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.416 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 99.4 t -44.22 140.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.44 166.49 20.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.26 109.72 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -65.03 -57.59 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 4.4 t -154.61 164.78 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' ARG . 89.8 t -129.53 107.83 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 29.7 ttp180 -34.96 139.84 0.31 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.0 Cg_endo -69.78 88.47 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 43.88 5.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.1 -131.15 6.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 -50.26 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.4 64.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.1 tpp -53.63 -49.98 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -41.35 -52.26 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.5 -32.61 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.77 49.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.7 130.76 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -133.45 177.46 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 49.6 mt-10 -61.29 162.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.67 -33.94 3.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.408 ' CG ' HD13 ' A' ' 83' ' ' LEU . 76.0 m-20 -43.89 124.34 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -97.48 108.06 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.9 125.68 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mm -104.71 -57.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -119.42 155.47 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.93 107.88 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 62.17 30.97 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.99 -33.0 6.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -71.25 151.43 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 75.3 mtp -98.53 102.81 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 m -97.41 34.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -72.04 -34.44 68.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -102.06 -42.71 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -43.9 150.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.4 p -86.41 158.49 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -42.47 -49.01 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -43.09 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.57 -23.11 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 t -85.03 -31.84 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.09 -63.03 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 72' ' ' LEU . 6.4 ptpp? -44.73 -34.74 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 13.7 mt -69.78 -48.55 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.99 -48.96 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 52.68 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.7 t -108.98 -47.49 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.96 -174.22 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.45 -53.81 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -123.91 176.97 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 80' ' ' ALA . 6.3 p -145.82 138.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 79' ' ' VAL . . . -90.55 102.84 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.058 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.61 122.46 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -96.07 98.1 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.408 HD13 ' CG ' ' A' ' 51' ' ' ASP . 12.1 mt -86.63 154.93 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.7 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt20 -109.32 144.79 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -121.55 162.12 21.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.36 122.68 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.72 137.52 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.5 130.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 9.9 mt -113.51 122.9 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -101.98 119.74 39.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.1 41.6 1.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.443 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 17.6 p90 -136.64 131.97 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.909 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -111.74 135.6 52.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -117.14 168.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -169.42 146.85 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.07 122.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.47 -54.71 42.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -109.57 -54.38 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.2 mm -90.94 82.06 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.79 129.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -138.96 145.64 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.75 113.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.96 -53.67 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -153.07 164.58 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.78 113.15 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -40.15 137.3 1.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.48 45.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.91 -132.63 7.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -113.06 -37.7 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -59.1 -54.32 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' GLY . 37.6 ttm -50.03 -53.78 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -45.0 -39.69 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.14 68.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' MET . . . 114.54 39.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 48' ' ' LYS . 96.3 t -98.26 137.64 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' N ' HG11 ' A' ' 47' ' ' VAL . 18.2 pttm -119.11 164.37 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -76.59 144.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.57 37.66 26.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -106.46 142.48 36.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 53' ' ' ILE . 32.3 tpt85 -87.04 146.29 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 33.7 mt -123.94 110.17 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -85.26 -52.04 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -115.99 152.11 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.03 116.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 51.1 39.55 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -119.36 128.47 54.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.2 mmm -75.86 103.56 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 31.2 m -127.02 104.52 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 p -132.03 -36.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -114.24 36.41 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -116.17 161.46 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 p -85.56 138.97 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.439 ' CD2' HG21 ' A' ' 70' ' ' VAL . 5.9 t-80 -38.53 -56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' HIS . 1.9 tt -38.17 -45.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -50.47 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.6 t -55.08 -41.17 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 HG21 ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -41.69 -58.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -42.38 -46.52 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.13 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.68 -32.09 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -95.49 53.22 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.1 t -151.7 127.52 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.2 -171.49 46.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -32.27 18.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -139.88 164.23 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.1 p -129.06 119.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.45 110.1 18.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -109.43 146.71 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 55.1 m -108.44 96.38 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.2 mt -86.05 122.28 29.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.313 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -96.83 136.6 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -110.45 164.39 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.805 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -124.24 112.21 16.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.1 mt -114.84 117.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 22.9 mt -97.91 132.74 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -121.22 139.65 53.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.28 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.3 144.52 40.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -124.6 171.07 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.199 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' OG1' ' A' ' 24' ' ' THR . 27.2 m -146.3 169.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -173.68 144.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASP . . . 120.48 100.45 1.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' GLY . 2.3 m-20 -34.58 -66.08 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -98.8 151.6 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mm 51.62 50.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -47.86 139.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.3 mt -134.35 155.46 50.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.87 109.0 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -59.98 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -143.44 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.09 121.22 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -46.53 141.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.33 33.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.41 -142.84 4.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.26 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.97 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.16 -54.61 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -58.26 -28.78 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.96 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.12 37.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.61 134.97 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -129.65 166.57 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.47 128.19 35.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.22 35.96 3.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -117.37 140.34 49.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -98.71 130.76 45.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.61 107.41 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.4 mt -81.21 -60.45 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -117.34 155.5 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.46 106.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.08 39.33 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.93 -34.97 4.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.6 m -75.84 113.93 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttt -80.59 112.57 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.63 38.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.4 p -55.51 -44.03 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -129.33 79.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -150.44 172.83 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -81.59 139.51 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' VAL . 3.9 t-160 -47.44 -65.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 9.6 tp -35.41 -55.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.12 -43.92 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' HIS . 87.3 t -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -49.02 -58.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -43.11 -48.06 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.14 -41.59 75.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -70.98 -43.26 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -47.72 -51.59 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.8 t -75.96 107.87 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.75 131.34 3.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.3 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 8.3 p90 -125.06 161.23 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -132.97 125.26 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.37 108.25 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.01 138.61 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -102.93 94.91 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.81 121.94 38.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -98.1 159.58 14.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -134.81 142.75 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.8 129.88 41.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 13' ' ' ILE . 8.9 p -141.54 143.08 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.414 ' N ' HG22 ' A' ' 12' ' ' VAL . 94.9 mt -122.0 135.38 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -108.38 121.14 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -104.98 131.74 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.19 35.55 3.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -132.33 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.0 p -118.41 162.78 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 m -142.76 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -146.59 145.67 30.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.89 123.61 2.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.69 -44.23 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -95.46 -55.95 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.53 107.33 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.2 131.11 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -142.15 147.71 37.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.08 107.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.4 -48.11 81.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' HG23 ' A' ' 36' ' ' VAL . 2.4 t -156.1 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.408 HG23 ' C ' ' A' ' 35' ' ' SER . 94.0 t -139.84 123.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 tpp180 -52.38 136.69 41.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.4 Cg_endo -69.81 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.95 38.03 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.43 -150.62 24.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.11 -45.81 25.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -58.37 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.8 tpp -46.59 -52.11 14.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -53.65 -45.4 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -29.35 68.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.19 38.77 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.3 122.95 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -118.27 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.91 146.71 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.77 -4.74 82.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.27 121.1 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -93.42 130.16 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mt -88.95 133.55 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.413 HG22 ' CG2' ' A' ' 62' ' ' THR . 4.8 mt -105.36 -54.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -123.05 144.97 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.43 121.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 43.68 49.75 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.2 30.87 76.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 m -127.55 121.55 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttm -78.9 87.85 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 m -92.52 39.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.413 ' CG2' HG22 ' A' ' 54' ' ' ILE . 17.8 p -79.29 115.03 18.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 68.42 46.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -117.63 -176.58 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 p -88.23 149.93 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -58.27 -58.55 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 tp -37.76 -51.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -56.2 -44.0 79.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.17 -54.75 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ILE . 97.1 t -45.81 -60.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' VAL . 13.2 tttm -34.73 -39.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.04 -47.52 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 41.5 mt -61.48 -43.36 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -90.49 46.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 t -105.91 -54.45 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.24 -175.36 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.41 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -178.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.8 p -147.86 133.2 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.25 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.06 136.75 53.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 m -103.59 95.2 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.85 139.18 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 9' ' ' GLN . 3.9 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.94 149.21 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -127.06 145.69 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.59 136.33 33.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 p -145.06 126.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.5 mt -97.81 136.36 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -131.61 125.33 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -101.25 150.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 pttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.09 -42.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -78.7 141.63 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 p -113.3 164.57 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 66' ' ' HIS . 5.3 m -147.67 168.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -169.94 142.74 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.98 140.08 4.03 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.84 -71.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -71.14 -75.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 pp -89.97 132.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.2 t -100.93 124.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 51' ' ' ASP . 12.0 mt -123.12 147.62 46.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.77 115.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.35 -48.47 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.0 m -154.76 162.02 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' ARG . 69.9 t -129.48 112.35 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 11.1 tpp180 -36.77 136.69 0.58 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.8 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.42 29.25 33.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.5 -127.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.72 -39.79 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.45 61.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 tpp -51.32 -48.03 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -53.14 -43.49 67.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -61.08 -31.16 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.08 39.75 1.93 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 48' ' ' LYS . 84.7 t -107.13 144.01 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' HG11 ' A' ' 47' ' ' VAL . 22.9 mmmt -134.22 172.79 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.21 148.26 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.67 31.64 15.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' HD22 ' A' ' 32' ' ' LEU . 10.1 m-20 -114.48 110.07 19.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 15.8 ttm105 -84.45 105.54 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -70.39 132.42 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -97.01 -50.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.03 155.97 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' CG1' ' OD1' ' A' ' 57' ' ' ASN . 91.2 t -137.75 106.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.459 ' OD1' ' CG1' ' A' ' 56' ' ' VAL . 4.4 p-10 45.07 39.36 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.64 -33.6 5.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -79.8 116.01 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 mtp -76.62 121.81 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 m -110.67 34.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -65.99 -30.43 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -121.11 -35.14 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 m -43.78 161.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.3 p -89.14 165.01 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 25' ' ' VAL . 11.5 t-80 -59.77 -46.06 90.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mt -50.09 -43.43 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.25 -35.9 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.27 -39.33 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 85.4 t -57.57 -65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -38.31 -46.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.19 -42.96 96.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' VAL . 48.1 mt -62.63 -65.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -42.68 -72.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -47.64 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.95 126.84 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.22 -48.66 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -134.85 176.15 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.1 p -147.98 125.23 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 110.03 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -105.73 142.23 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 m -111.84 97.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.97 139.95 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -104.3 164.03 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -142.04 175.39 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -123.29 118.08 26.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.01 139.99 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -112.53 134.75 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -129.07 133.88 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -114.93 153.04 31.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 pttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.28 41.15 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 p90 -137.83 153.57 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -125.79 164.93 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.563 HG23 ' CD2' ' A' ' 66' ' ' HIS . 4.1 m -148.78 158.39 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -92.56 -6.61 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.5 18.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.438 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ARG . 2.1 m-20 -78.21 -174.78 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' ASP . 18.1 ttp-105 -33.52 -64.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 1.9 tp -102.01 76.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' ILE . 33.9 t -32.88 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 50' ' ' GLY . 6.5 mt -119.89 149.58 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.48 106.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -62.88 -58.76 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -141.99 168.15 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -145.3 109.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -44.48 142.9 2.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.78 16.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.31 27.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.22 -153.61 7.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.55 -32.06 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.76 -53.1 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 tpp -46.02 -47.56 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -58.17 -47.32 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.88 -23.77 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.29 37.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.6 t -105.22 151.39 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 166.96 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.11 125.24 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . 122.57 -32.57 4.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.55 128.09 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 30' ' ' ILE . 23.6 ttp180 -101.4 110.02 21.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.1 mt -83.85 121.15 36.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mt -108.32 -49.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -117.36 158.33 24.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -148.52 106.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 62.8 41.61 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.97 -9.08 26.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -101.66 121.76 42.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 ttm -71.22 130.74 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.8 36.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.4 ' C ' ' CG ' ' A' ' 63' ' ' ASN . 65.1 p -73.4 148.97 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 62' ' ' THR . 0.7 OUTLIER 45.28 43.13 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.0 m -114.35 -175.0 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -102.03 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.563 ' CD2' HG23 ' A' ' 25' ' ' VAL . 7.2 t-160 -80.47 -37.04 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.58 -51.18 61.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.02 -68.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -40.07 -58.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -40.24 -64.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -40.45 -45.85 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.99 -38.67 76.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -34.66 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.21 60.66 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -125.83 121.98 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.86 -124.06 23.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.3 -24.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -136.95 175.22 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.12 124.74 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.87 102.82 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mt -106.93 138.18 43.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -93.22 100.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -105.59 130.54 53.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 2.0 pp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.5 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -113.13 151.83 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -120.01 146.02 46.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -89.42 111.02 21.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -112.64 152.75 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 14' ' ' ILE . 68.2 mt -140.54 135.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 18.0 mt -123.99 136.47 60.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -123.97 140.19 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.47 10.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -80.79 154.08 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -142.63 144.68 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.54 144.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -130.58 8.47 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.04 117.32 4.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.85 -70.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -71.79 -42.79 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.04 100.32 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -54.78 118.65 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -134.74 135.75 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.24 102.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.54 -54.41 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -148.01 155.58 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.89 120.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 17.5 tpp180 -44.43 136.29 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.76 -0.65 7.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.59 48.94 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.69 -165.16 14.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.65 -50.31 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.25 -61.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.2 ttm -45.59 -51.26 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -54.9 -42.37 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.08 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.1 37.35 1.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.2 t -109.29 117.85 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -115.86 161.88 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.41 151.08 17.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.32 -20.15 35.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.61 135.1 57.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.752 0.311 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 8.8 ttp-105 -108.21 136.78 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.15 131.75 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.93 -51.15 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -128.93 156.86 43.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -142.86 107.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.5 m120 57.89 32.12 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.59 -11.34 71.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 m -98.05 110.55 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.96 135.85 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.7 24.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -55.91 -44.01 77.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -127.43 51.19 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -116.36 152.06 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.1 p -82.53 132.98 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -39.82 -52.81 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.69 -59.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.89 -41.27 86.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 95.4 t -54.39 -44.59 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.45 -55.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.68 -42.13 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 69' ' ' VAL . 28.4 mt -57.44 -46.32 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.9 mt -67.79 -17.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -94.81 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -116.77 92.52 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.48 -123.41 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.55 -40.93 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 6.4 p90 -117.49 -178.67 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 p -145.93 134.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.7 114.51 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -111.44 153.5 26.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -112.34 96.95 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.39 150.01 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -88.47 151.43 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -124.36 173.74 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -117.06 120.53 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.42 140.82 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -128.44 137.99 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mt -118.59 127.15 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -103.97 118.26 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 3.0 pptp? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 32.5 m-85 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.42 34.81 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.5 p90 -134.2 145.85 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -129.87 138.51 50.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -116.92 173.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -165.76 145.62 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.4 121.22 2.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.2 -56.33 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.99 -38.89 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.91 78.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.5 129.66 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 mt -141.64 143.67 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.61 116.39 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -53.17 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.416 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 51.9 m -160.29 155.92 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.2 t -128.35 139.36 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -68.19 134.39 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -1.27 8.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.647 2.231 . . . . 0.0 112.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.08 44.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.35 -137.94 7.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.93 -33.9 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -62.62 -45.6 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.6 tpp -59.13 -46.2 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -51.87 -46.53 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -28.99 68.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.97 47.64 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.76 137.01 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -135.85 167.21 21.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 36.3 mt-10 -59.48 146.93 38.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.23 34.69 9.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -120.03 144.38 47.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.96 156.72 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 56' ' ' VAL . 25.4 mt -125.19 125.81 69.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.84 -46.91 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 149.08 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG2' HG23 ' A' ' 53' ' ' ILE . 56.0 t -137.06 117.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.65 41.9 18.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.88 75.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -121.57 109.34 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.51 110.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.06 22.06 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 p -55.81 -26.71 47.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.5 t30 -110.33 -51.32 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' ASN . 74.3 m -37.1 154.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 t -82.05 160.55 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -57.79 -61.67 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -38.0 -36.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.24 -61.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.6 t -40.47 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.06 -53.79 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 72' ' ' LEU . 19.1 pttm -39.13 -46.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 71' ' ' LYS . 5.7 mt -65.75 -56.97 9.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 mt -43.84 -51.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -78.98 60.83 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -145.87 143.63 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.19 -148.88 45.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.7 -33.95 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 158.55 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -130.99 120.23 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.85 132.4 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mt -126.23 138.24 53.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -97.98 95.26 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.0 mt -86.88 144.33 27.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -99.91 154.6 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 14.8 ttm105 -135.87 144.22 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -101.43 131.56 47.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.09 130.62 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -109.88 127.89 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 21.3 mt -107.13 130.75 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' LYS . 12.9 pt20 -110.67 124.74 52.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLN . 13.8 ptpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 31.4 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.95 6.99 7.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -109.52 166.19 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -142.53 172.22 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.32 158.82 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -85.93 -0.57 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.11 90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ARG . 1.4 p-10 -161.45 -176.98 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' ASP . 38.2 mtt180 -34.97 -40.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 mm -127.36 69.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ILE . 20.4 t -35.22 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -108.91 144.73 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -57.56 108.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.41 -59.78 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -150.94 167.18 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 43' ' ' MET . 38.1 t -144.4 154.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 13.0 tpp180 -80.48 136.21 52.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.81 90.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.78 26.71 8.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.432 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.68 -151.64 26.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 14' ' ' ILE . . . -78.27 -41.93 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.24 96.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.47 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 7.4 mmm -64.47 -57.59 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -50.65 -21.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.07 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 43.45 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.9 t -122.63 129.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -139.09 166.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.52 146.31 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.05 37.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 146.72 53.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -116.62 133.92 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 mt -101.72 114.61 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.88 -45.73 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -117.39 149.07 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG11 ' CG2' ' A' ' 79' ' ' VAL . 66.3 t -141.33 116.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.82 30.64 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.67 -18.42 52.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.7 m -100.49 131.63 46.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 ptm -74.61 128.6 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.8 m -106.26 7.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.1 p -54.55 146.1 17.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.6 47.91 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t -129.68 157.79 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.81 -179.02 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.469 ' CD2' HG22 ' A' ' 70' ' ' VAL . 22.9 t-160 -69.51 -70.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' HIS . 7.7 tp -35.63 -58.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -42.82 -45.63 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.4 t -74.08 -42.92 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 66' ' ' HIS . 62.0 t -48.48 -50.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -59.45 -39.79 84.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.21 -27.17 66.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.401 ' CG2' ' CE2' ' A' ' 21' ' ' PHE . 49.2 mt -77.7 -57.32 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -84.06 62.81 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 t -112.78 -39.84 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.66 -153.85 7.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.64 -20.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 1.1 p90 -153.19 -176.23 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.45 ' CG2' HG11 ' A' ' 56' ' ' VAL . 7.7 p -152.19 120.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 121.35 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.8 mt -113.62 158.25 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -118.99 106.69 12.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -98.86 118.64 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.802 0.334 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.4 164.3 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -134.39 129.91 36.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.79 110.28 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 p -109.03 138.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.58 118.19 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 14.7 mt -104.84 131.44 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 8.2 pt20 -102.45 123.48 46.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.51 50.76 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -135.16 139.86 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -118.96 161.53 20.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.39 162.71 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 28' ' ' ASP . 8.4 t -87.94 -7.51 57.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.64 20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ARG . 9.9 m-20 -84.27 -175.07 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' ASP . 15.5 ttm-85 -34.44 -47.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -117.93 87.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.43 107.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.22 136.56 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -58.35 116.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.93 -43.48 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -148.32 158.16 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -135.08 113.22 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -38.22 134.61 0.9 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 99.58 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.54 -107.64 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.93 -52.49 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.5 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 ttm -62.45 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -44.15 -48.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.412 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -61.48 -31.66 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 40.68 0.88 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.2 t -108.72 130.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 7.4 mptt -108.03 -175.92 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -95.5 105.16 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.59 28.5 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.45 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -102.48 154.28 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -110.01 129.68 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.442 HG22 ' CG2' ' A' ' 56' ' ' VAL . 22.1 mt -101.71 111.93 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.2 mt -83.5 -56.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -115.82 155.08 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.442 ' CG2' HG22 ' A' ' 53' ' ' ILE . 90.8 t -146.34 114.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 53.95 30.17 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.98 29.11 35.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -127.28 111.72 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.2 mtp -59.15 104.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 20.2 m -131.83 104.03 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.3 -33.64 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -129.74 50.58 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -114.8 163.38 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -81.48 152.42 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' LEU . 18.6 t-160 -40.56 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -35.81 -66.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -39.24 -38.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' HIS . 59.7 t -79.44 -33.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' LEU . 90.5 t -51.97 -53.4 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -40.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.13 -46.59 61.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.5 -47.94 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -84.56 53.57 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -154.12 109.27 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.07 144.55 14.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.76 -27.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -146.61 -179.68 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.15 112.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.97 102.73 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.67 141.19 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -111.57 94.96 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.34 137.01 32.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.758 0.313 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.87 161.18 15.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 46' ' ' GLY . 7.6 ptm180 -124.77 120.69 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -86.17 124.59 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 45' ' ' ALA . 4.5 p -134.0 124.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.09 124.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -108.28 131.62 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.23 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 77' ' ' ALA . 14.1 pttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.82 43.13 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -137.68 132.56 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -106.94 144.51 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.78 135.86 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.3 p -82.21 110.22 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.47 125.15 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.8 t0 -175.07 -179.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' ASP . 2.9 tpt180 -34.19 -43.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 30' ' ' ILE . 1.7 pp -130.29 79.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 30' ' ' ILE . 24.8 t -33.19 128.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 9.6 mt -128.97 160.92 31.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -89.32 113.22 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -155.37 169.79 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' ARG . 97.4 t -132.17 109.24 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 52.9 ttm-85 -36.61 139.56 0.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 90.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.65 37.11 7.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 -124.41 3.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.83 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.2 74.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.7 ttm -54.04 -48.01 71.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -55.37 -46.44 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -62.61 -28.92 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' NH2' ' A' ' 10' ' ' ARG . . . 111.81 42.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.1 143.55 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -134.95 160.25 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -73.32 141.98 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.48 39.71 5.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.23 133.12 42.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 32' ' ' LEU . 16.1 mtt180 -93.61 144.78 25.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG23 ' CG2' ' A' ' 56' ' ' VAL . 17.8 mt -111.66 126.3 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mm -99.17 -32.99 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -126.44 153.34 45.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 45.5 t -150.46 120.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 42.3 46.04 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.466 ' CA ' ' HD3' ' A' ' 55' ' ' LYS . . . 82.28 -28.55 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' VAL . 56.5 m -92.43 128.24 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 mtm -77.88 143.14 38.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.01 36.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -70.78 140.59 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 44.44 41.37 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 p -118.71 178.07 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -110.05 171.96 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.14 -37.83 86.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.52 -58.58 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.13 -59.54 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.7 t -41.14 -37.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' ILE . 49.8 t -65.05 -67.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' VAL . 7.4 tttm -36.66 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' VAL . 43.9 mt -75.13 -44.61 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' VAL . 95.2 mt -64.15 -54.02 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -41.44 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 m -42.04 103.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.88 145.07 7.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . . . -64.95 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -148.36 169.64 19.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 80' ' ' ALA . 14.5 p -140.15 141.44 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.431 ' N ' HG21 ' A' ' 79' ' ' VAL . . . -99.36 115.51 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mt -106.01 136.68 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.9 m -106.65 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 83' ' ' LEU . 4.9 mt -83.0 132.07 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -125.02 138.26 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -116.59 141.26 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.62 131.49 38.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -132.14 139.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.21 126.22 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 45' ' ' ALA . 28.4 mt -108.66 124.87 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' LYS . 1.4 pt20 -114.34 127.67 55.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.2 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.48 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.459 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 25.9 p90 -136.84 125.41 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 p -108.65 137.87 45.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.55 173.25 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 p -168.21 132.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.87 141.14 3.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.18 -75.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -62.7 -73.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.99 138.34 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 61.8 t -102.28 112.64 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 51' ' ' ASP . 7.8 mt -109.7 148.02 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.86 118.06 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -76.76 -51.35 11.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -152.83 150.61 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' ARG . 87.2 t -124.54 105.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 18.8 tpp180 -36.06 135.97 0.52 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -69.74 82.48 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.75 46.02 2.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.08 -129.46 6.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.79 -30.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -76.57 -34.46 58.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.8 ttm -68.44 -43.36 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -72.81 -29.09 62.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -64.87 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.66 25.74 2.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.27 134.53 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 -178.05 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.9 152.52 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.81 34.09 71.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' C ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -104.84 108.2 19.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -85.4 119.91 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 54' ' ' ILE . 18.4 mt -90.42 137.84 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.44 ' N ' HG21 ' A' ' 53' ' ' ILE . 19.1 mt -106.23 -48.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.47 155.95 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.65 103.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 48.9 29.12 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.68 -43.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -70.56 107.58 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.4 ttm -71.69 108.25 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' THR . 33.5 m -96.69 21.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -36.63 -44.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 11.5 p-10 -132.17 73.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -141.77 140.42 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -62.22 156.94 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.572 ' CD2' ' CG2' ' A' ' 70' ' ' VAL . 20.6 t-160 -47.88 -59.02 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.0 mt -39.9 -57.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.5 -37.85 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.44 -35.2 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.572 ' CG2' ' CD2' ' A' ' 66' ' ' HIS . 93.2 t -59.51 -48.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -60.67 -39.54 88.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.62 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.97 -50.47 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.5 -50.6 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -56.96 123.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.24 153.4 27.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.28 91.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.13 -176.25 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 80' ' ' ALA . 4.6 p -154.99 133.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 79' ' ' VAL . . . -92.85 127.44 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -125.9 137.49 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 m -99.41 106.85 18.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.39 138.43 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.44 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' CYS . 16.7 tpt180 -113.35 152.16 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 26.2 p -100.41 103.68 15.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.85 141.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -119.71 138.3 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 41' ' ' ALA . 31.5 mt -135.91 146.31 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.4 pm0 -121.57 150.45 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 pttp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.26 -51.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.547 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.2 p90 -81.2 132.13 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -118.97 150.71 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 66' ' ' HIS . 29.0 m -122.68 144.85 30.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -130.39 3.89 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.8 118.02 5.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.69 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -42.97 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mm -121.62 91.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -47.09 112.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 mt -128.28 148.38 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.22 114.25 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -86.33 -44.24 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -146.16 153.9 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -136.6 123.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -55.56 133.56 71.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.61 2.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' HD2' ' A' ' 37' ' ' ARG . . . -162.07 39.09 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.66 -150.8 23.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -94.88 -36.54 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -61.77 -53.78 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.9 tpp -44.51 -53.04 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.95 -37.05 42.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.51 65.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.81 24.37 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -89.86 126.18 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -123.7 167.83 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.96 123.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.87 -0.92 15.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.52 132.06 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -102.89 140.37 37.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.45 122.63 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.45 -46.2 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -116.77 142.35 47.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG23 ' CD2' ' A' ' 81' ' ' LEU . 67.6 t -139.95 106.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m120 62.93 33.14 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.11 -23.75 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -95.93 116.91 29.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptm -66.27 136.11 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.0 m -113.62 9.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -49.26 133.33 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 55.52 48.16 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -129.32 142.87 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' HIS . 26.5 p -62.34 135.36 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 25' ' ' VAL . 2.7 t60 -37.09 -49.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -50.08 -61.01 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -43.63 -40.81 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.68 -53.48 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -38.81 -50.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -41.45 -42.78 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.43 -39.79 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.91 -68.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -39.91 -52.37 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -44.92 102.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 164.06 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.76 -52.44 56.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -105.85 172.16 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -138.34 124.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.56 137.05 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.045 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' HG23 ' A' ' 56' ' ' VAL . 20.4 mt -135.62 156.09 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -128.61 101.92 6.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -93.89 147.7 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.99 159.16 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -126.81 144.72 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -96.51 129.44 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.87 137.67 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.57 119.94 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.56 109.65 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -98.89 117.77 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.21 37.53 2.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -138.27 131.07 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLN . 52.6 p -108.02 142.01 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.04 175.03 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -168.76 155.13 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.79 135.61 4.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -75.35 -70.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -66.11 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.62 138.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.6 t -102.68 133.89 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.52 156.32 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.6 104.65 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 54.7 tp60 -61.16 -62.19 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -139.1 165.2 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 t -139.51 110.76 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' VAL . 21.1 tpp180 -37.9 135.04 0.82 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.72 44.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.98 -130.95 6.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.91 -56.75 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.82 -46.06 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.7 tpp -62.6 -48.54 78.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -53.55 -29.08 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.02 -21.9 36.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.28 47.55 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 48' ' ' LYS . 97.3 t -102.07 160.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.37 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 18.6 mmmt -147.41 168.15 22.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -81.89 136.74 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.62 17.62 25.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.73 112.11 23.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -80.36 114.29 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.37 131.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.06 -46.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 13.0 ttmm -124.14 157.91 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 54.2 t -139.85 105.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.72 37.53 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.54 6.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -76.41 115.45 16.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.167 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 mmm -79.17 110.44 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.61 21.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -57.7 -19.15 25.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.23 -33.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m -51.98 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -119.56 170.09 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -47.82 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.72 -50.38 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.09 -25.65 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' LEU . 24.5 t -84.9 -44.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.71 -45.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -61.87 -35.84 79.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' VAL . 9.8 mt -71.65 -45.28 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.17 -45.75 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 38.8 mtpt -65.53 -71.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.2 t -37.48 107.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' TYR . . . 111.57 123.56 4.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -35.67 -34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLY . 1.5 p90 -138.29 178.23 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -149.32 136.41 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.55 123.44 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.11 138.96 52.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -104.33 99.93 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.88 127.27 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -69.68 159.19 33.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 p -113.52 106.64 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.22 128.7 2.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -40.9 109.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -69.35 107.44 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.8 -165.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -111.59 124.29 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.7 142.86 50.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -118.98 161.0 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.28 123.49 47.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.01 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.1 134.19 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.408 ' CG2' ' CB ' ' A' ' 41' ' ' ALA . 8.1 mt -117.49 128.51 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -105.75 118.46 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -41.62 121.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.92 -43.99 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -112.37 61.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 49.35 49.54 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.19 167.81 11.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -76.69 -175.17 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.97 31.57 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.427 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.0 p90 -137.68 153.67 49.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -141.12 146.11 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -123.17 178.26 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -171.0 129.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.8 142.1 3.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.89 -70.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -80.55 -65.78 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CD1' ' O ' ' A' ' 30' ' ' ILE . 2.7 pp -89.86 128.55 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' CG1' HD13 ' A' ' 53' ' ' ILE . 86.2 t -106.61 124.22 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -132.22 145.02 51.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.8 t -58.67 109.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -70.16 -58.23 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -131.16 167.43 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -145.69 122.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -48.24 145.75 5.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.33 8.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.55 27.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.62 173.13 50.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -52.83 -26.49 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -74.45 -49.55 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.9 tpp -57.77 -43.32 85.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -14.73 61.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.66 -31.28 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.057 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.16 33.79 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.24 110.95 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -107.44 161.28 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.92 121.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.26 40.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.06 108.16 13.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -73.69 129.55 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 ' CG1' ' A' ' 31' ' ' VAL . 23.5 mt -83.5 127.16 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.6 -53.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -124.27 141.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.64 102.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 55.38 44.3 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.21 13.76 81.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.55 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -121.74 103.36 8.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 mtp -61.62 119.46 8.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.88 26.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -57.39 -28.54 63.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 -33.8 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -39.08 158.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . 20.0 m -92.83 153.58 18.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' VAL . 19.8 t-160 -37.35 -65.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 16.5 mt -34.95 -59.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -51.06 -41.74 60.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 66' ' ' HIS . 25.4 t -66.6 -44.57 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -52.77 -63.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.25 -40.51 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.71 -41.66 86.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.47 -22.21 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.52 19.51 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -115.96 106.38 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.29 149.41 24.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.43 -54.26 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 3.9 p90 -107.42 179.75 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -150.78 118.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.52 107.4 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 22.1 mt -109.17 132.64 53.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -102.63 98.39 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.96 150.16 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt -120.07 126.06 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.46 126.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.3 p -114.33 168.63 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -78.75 156.44 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 p -159.16 119.69 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.36 163.36 33.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.39 35.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.9 p -96.18 145.59 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -52.15 -23.21 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 24.5 m 37.62 42.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -88.29 155.42 19.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.88 94.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -72.56 -47.84 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -134.7 129.87 35.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 120.06 2.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 p -119.48 133.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -103.35 133.32 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -107.88 157.27 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -114.37 107.5 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -103.33 157.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 12' ' ' VAL . 87.4 mt -133.93 127.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.0 mt -119.97 120.16 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.44 133.08 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 pttp -62.29 120.07 10.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.87 179.32 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.72 -30.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -87.62 -32.01 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' PHE . . . 98.85 158.61 29.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 59.3 m-85 -35.97 151.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.36 36.28 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.1 p90 -136.29 136.57 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 p -118.32 149.53 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.03 176.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -172.42 141.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.29 140.01 3.2 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.88 -48.6 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -110.7 -55.52 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.3 mm -97.13 86.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -66.51 138.24 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 52' ' ' ARG . 16.2 mt -142.88 161.18 38.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.67 115.23 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -69.95 -58.4 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -145.54 172.75 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -145.74 122.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -50.76 143.37 14.89 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -4.91 15.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.17 38.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.46 -129.5 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -17.73 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -79.98 -44.62 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.28 -47.75 84.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -57.12 -29.17 63.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.81 58.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.38 41.06 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.3 t -108.72 143.76 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -125.58 166.42 16.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.82 121.34 26.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.7 21.7 6.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.58 136.16 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' CB ' HD21 ' A' ' 32' ' ' LEU . 19.5 ttm180 -90.4 143.64 26.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 mt -109.86 124.82 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -90.28 -51.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -127.13 149.7 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 t -132.9 118.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 54.16 39.84 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.67 24.95 76.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 m -125.74 128.56 47.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.1 tpt -67.78 116.03 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.2 m -132.6 47.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -81.95 -34.0 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -128.59 50.78 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 p -123.09 154.66 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -69.07 139.74 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -42.99 -44.27 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.0 mp -53.09 -60.68 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.36 -45.51 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.2 t -64.84 -45.5 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -45.77 -55.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -47.95 -36.75 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.4 mt -65.6 -44.45 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.32 -48.01 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -47.29 -63.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.9 p -73.8 123.68 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' ALA . . . 115.21 112.79 2.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -36.17 -47.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -128.45 157.78 40.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.5 p -125.26 119.85 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.47 106.67 11.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.42 141.12 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 95.81 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -90.34 141.92 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.9 tp -122.3 135.52 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.77 148.75 38.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 p -43.97 155.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.824 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 52.6 m -94.7 165.15 12.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 39.6 t -36.05 123.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.44 83.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 95.3 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.8 p -150.26 145.1 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -96.39 133.82 40.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -113.52 117.91 32.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -118.78 129.37 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.14 65.81 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -45.78 111.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -102.55 103.72 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.68 -157.66 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.8 p -123.62 128.12 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.16 143.74 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -116.6 169.48 9.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.29 130.65 56.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -133.78 136.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.68 127.0 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.439 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 27.3 mt -120.77 132.68 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LYS . 28.5 pt20 -113.54 123.44 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' GLN . 32.2 pttt -35.46 148.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -127.42 -43.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -131.82 84.2 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 40.11 40.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.73 161.13 11.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -75.1 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.01 -49.91 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -84.03 139.35 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 p -116.65 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 66' ' ' HIS . 30.1 m -129.07 145.84 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 t -143.16 144.02 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.76 164.16 12.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -107.1 -48.78 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -110.91 -48.66 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.0 mm -106.78 93.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.2 t -68.98 137.62 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 mt -142.98 151.82 41.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.91 103.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.17 -62.18 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -147.46 159.86 43.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 37' ' ' ARG . 97.2 t -137.8 109.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 31.6 ttm-85 -36.72 142.05 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.76 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.48 4.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.43 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.47 -107.87 3.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -119.57 -48.12 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 14' ' ' ILE . . . -58.41 -51.66 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 tpp -50.02 -54.7 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -43.11 -52.42 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.18 -28.98 70.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.6 41.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.71 141.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -150.08 178.32 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.48 148.63 49.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.26 -24.43 32.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.78 148.22 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.813 0.34 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 19.5 ttm105 -115.8 135.21 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.73 130.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -105.42 -54.78 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -118.22 158.42 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -150.52 110.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.78 32.67 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.73 -34.82 4.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.9 m -71.41 117.61 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -76.46 88.78 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 28.1 m -94.38 97.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 p -121.26 -37.44 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -118.64 65.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 m -145.26 179.85 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -95.15 162.84 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.496 ' CD2' HG23 ' A' ' 70' ' ' VAL . 9.6 t-160 -64.28 -57.54 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 66' ' ' HIS . 8.7 tt -36.57 -43.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.61 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.8 t -49.41 -29.04 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.496 HG23 ' CD2' ' A' ' 66' ' ' HIS . 91.4 t -60.83 -62.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -47.1 -45.09 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.51 -35.25 52.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -79.8 -44.03 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -42.2 -48.74 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -71.67 118.94 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.63 4.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.52 -58.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -105.16 176.46 5.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.9 p -146.42 138.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.3 mt -108.08 147.4 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.8 m -112.44 101.36 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.1 mt -102.29 134.78 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.38 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 81.76 105.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.6 p -108.89 125.46 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -53.23 144.32 16.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -76.12 -57.35 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.37 -83.48 0.36 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.76 12.01 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 156.89 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 p -68.38 171.98 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -159.01 171.07 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m -71.65 164.72 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.62 -87.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -41.3 137.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -59.08 -52.0 67.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.96 -154.03 24.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -144.0 117.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -116.42 141.4 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -121.21 165.92 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.66 128.09 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 13' ' ' ILE . 10.9 p -125.02 147.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.446 ' N ' HG22 ' A' ' 12' ' ' VAL . 50.4 mt -121.2 136.88 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.35 128.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 153.54 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 21' ' ' PHE . 22.1 mtmm -67.63 144.75 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' HIS . 39.3 m-20 -109.08 -175.67 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -38.45 -31.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' ASP . 30.4 m-70 -113.28 -25.31 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.56 -152.06 17.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 36.5 m-85 -72.85 111.56 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.93 -19.13 63.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 21' ' ' PHE . 5.0 p90 -94.5 145.3 24.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 p -127.51 165.74 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 66' ' ' HIS . 15.4 m -135.68 166.39 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 p -167.11 123.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 162.3 177.43 35.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -127.61 -43.95 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -108.48 -37.91 5.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.1 mm -121.83 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.8 128.5 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 52' ' ' ARG . 63.8 mt -142.2 129.28 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 HG13 ' CG2' ' A' ' 36' ' ' VAL . 21.0 t -46.41 106.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.37 -57.37 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -141.87 167.98 20.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.439 ' CG2' HG13 ' A' ' 33' ' ' VAL . 69.1 t -146.12 110.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 6.2 ttt85 -38.65 140.64 0.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.79 -4.65 14.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.26 39.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.27 -156.77 32.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.17 -22.7 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.11 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttm -52.77 -54.94 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -56.49 -30.95 63.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.76 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.25 43.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.31 136.35 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -136.39 171.93 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.09 147.42 52.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.16 23.1 45.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -101.57 130.47 47.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' CB ' HD23 ' A' ' 32' ' ' LEU . 35.9 ttt-85 -107.6 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt -81.91 133.27 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -103.38 -48.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HD2' ' CA ' ' A' ' 60' ' ' MET . 5.7 tptt -117.74 149.1 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.13 107.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 62.42 26.9 16.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.32 -9.59 75.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -102.78 103.17 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CA ' ' HD2' ' A' ' 55' ' ' LYS . 3.9 ptm -52.83 130.62 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.1 m -116.47 26.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -56.87 -62.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -91.83 18.91 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -94.67 164.78 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.1 m -100.0 172.43 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.642 ' CE1' ' CG2' ' A' ' 70' ' ' VAL . 1.5 t60 -55.89 -60.86 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.7 mt -41.64 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.36 -55.93 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.1 t -53.04 -41.59 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.642 ' CG2' ' CE1' ' A' ' 66' ' ' HIS . 28.2 t -56.48 -61.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -40.63 -38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.91 -35.33 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' VAL . 51.9 mt -65.0 -57.96 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 mtpm? -43.19 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -50.31 92.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LYS . . . 114.45 120.0 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.11 -39.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -117.43 169.35 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.4 p -143.42 124.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.27 103.78 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.16 152.3 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -117.82 105.31 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -97.68 151.9 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt -119.77 129.97 54.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.24 85.62 1.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -91.38 95.82 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.8 t -85.06 144.0 28.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -166.4 170.52 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.86 147.39 7.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 102.66 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -68.03 -61.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.8 p -112.68 105.67 13.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 p -143.54 128.26 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -171.11 134.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.45 -169.51 24.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -155.82 132.99 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -106.6 157.19 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 177.85 15.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -121.25 119.37 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -127.27 162.93 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -140.81 152.18 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -96.95 107.93 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.24 129.6 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.93 119.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.09 114.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.04 142.87 29.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -59.69 146.89 39.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -131.49 -40.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -118.27 65.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 58.28 43.77 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.0 -172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -94.69 164.68 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.34 25.5 8.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -129.71 128.68 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -105.61 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.455 ' N ' ' OG1' ' A' ' 24' ' ' THR . 2.4 m -140.64 170.35 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.443 ' CB ' ' NE2' ' A' ' 34' ' ' GLN . 1.7 t -164.69 138.89 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.97 125.87 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.83 -70.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -90.8 -36.6 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.34 96.27 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 32' ' ' LEU . 74.9 t -83.57 135.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD21 ' CA ' ' A' ' 52' ' ' ARG . 12.7 mt -144.23 148.89 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.66 100.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' NE2' ' CB ' ' A' ' 26' ' ' SER . 2.9 tp60 -58.05 -58.6 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -147.8 164.51 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.6 t -140.11 121.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.5 ttm-85 -49.35 140.57 12.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.9 Cg_endo -69.75 82.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.37 34.43 8.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.63 -106.55 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -35.21 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.24 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 ttm -67.4 -47.2 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.77 -22.3 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.06 -21.64 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.39 42.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 48' ' ' LYS . 73.6 t -116.48 140.45 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' HG11 ' A' ' 47' ' ' VAL . 16.7 mttp -140.72 157.57 45.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -48.71 129.53 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 53.53 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.78 109.16 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CA ' HD21 ' A' ' 32' ' ' LEU . 14.2 ttp-105 -81.93 132.49 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mt -92.16 138.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.8 mt -110.74 -40.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -132.48 151.76 51.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.8 t -147.48 111.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 53.98 31.45 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.34 15.95 65.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.9 m -113.51 134.31 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.152 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 ttm -89.44 102.8 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 2.7 m -112.64 38.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 p -68.93 -25.34 64.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -33.39 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.65 159.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -73.07 170.03 15.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.42 -51.61 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -51.01 -40.16 57.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.04 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.12 -52.49 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.7 t -41.36 -50.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -46.22 -49.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.88 -31.84 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.18 -45.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 pttm -95.66 58.56 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -121.18 -37.68 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.79 -179.17 16.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.26 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -124.43 174.81 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.28 134.12 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.83 110.32 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.8 mt -107.46 133.83 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -98.16 97.28 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.7 mt -99.85 138.82 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 tt -110.69 145.83 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.15 125.49 6.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 p -141.68 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -139.69 137.84 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.8 p -167.21 173.8 8.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.5 166.17 23.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.09 26.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -47.26 160.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.8 p -53.28 155.88 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -93.52 171.27 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -120.67 -43.94 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 -164.38 26.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -140.43 134.39 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 p -124.37 150.96 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.68 153.78 6.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.63 138.06 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.82 0.343 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -101.68 160.05 14.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -112.73 141.53 46.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.05 129.86 49.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.6 p -138.67 149.2 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -140.08 123.09 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 24.7 mt -103.7 137.94 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -116.49 135.68 53.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -55.69 139.29 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -108.72 -56.03 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -134.99 -67.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -77.93 -38.68 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 145.93 -69.74 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 33.5 m-85 -147.73 152.64 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.76 43.04 1.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.43 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.6 p90 -137.64 138.07 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -122.72 140.94 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG21 ' CD2' ' A' ' 66' ' ' HIS . 26.7 m -124.62 177.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -174.47 152.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.28 135.79 3.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.28 -74.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -56.93 -49.36 75.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.3 mt -121.5 167.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.8 t -130.14 115.4 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.6 mt -120.71 154.56 35.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 47' ' ' VAL . 88.0 t -68.95 107.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.78 -53.54 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -153.23 157.23 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.57 121.77 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 14.1 ttp85 -56.3 138.92 74.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.696 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.1 Cg_endo -69.77 99.29 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.43 21.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.61 -113.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -124.33 -50.67 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 14' ' ' ILE . . . -54.6 -51.01 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.4 tpp -50.9 -48.02 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -50.17 -42.03 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 50.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 33' ' ' VAL . 47.1 t -116.54 126.05 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.63 155.03 48.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.09 133.92 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.64 -27.71 9.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.23 138.24 45.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 20.8 ttm105 -115.49 111.66 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mt -73.06 137.53 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -112.26 -47.28 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -134.11 169.78 16.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.1 t -142.91 114.07 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.4 p30 44.66 31.36 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -35.3 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -68.11 123.19 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 ttt -74.64 134.67 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.41 20.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -68.88 120.44 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.05 33.51 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -114.44 147.07 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.8 p -61.42 166.86 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.496 ' CD2' HG21 ' A' ' 25' ' ' VAL . 11.6 t-160 -64.84 -65.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' HIS . 4.8 tp -36.46 -60.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -38.96 -49.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -72.45 -41.39 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -42.42 -48.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -55.84 -44.81 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.18 -44.32 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -81.27 71.61 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 t -160.39 157.89 28.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.21 -151.53 4.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.49 -32.19 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 2.1 p90 -138.01 157.85 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.2 p -131.37 124.77 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.57 134.1 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 44.0 mt -129.22 113.79 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -88.54 97.57 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.2 mt -90.15 165.07 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tt -124.66 139.0 54.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -102.04 -86.44 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -75.38 118.66 18.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.7 p -153.47 147.64 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -93.92 162.01 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.45 75.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 159.74 52.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.4 m -127.43 83.61 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 t -59.29 165.76 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -158.88 147.34 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -133.31 128.49 35.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.72 -154.88 10.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -147.05 115.71 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -83.32 130.48 35.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.76 169.49 43.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p -119.45 124.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -92.53 142.33 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -122.39 149.18 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.6 120.97 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -119.12 139.67 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.461 ' N ' HG21 ' A' ' 12' ' ' VAL . 97.5 mt -112.42 123.46 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.8 mt -111.64 119.55 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 134.27 41.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -62.09 140.73 58.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -103.19 -50.58 3.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -109.35 42.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 64.46 35.61 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.75 133.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -66.05 172.92 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.04 39.59 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -138.28 132.56 31.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -109.22 153.26 24.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 27.6 m -131.22 158.04 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -148.98 144.75 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.93 154.06 6.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 -51.28 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -106.48 -68.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 tp -88.6 78.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 99.4 t -44.22 140.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.44 166.49 20.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.26 109.72 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -65.03 -57.59 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 4.4 t -154.61 164.78 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 37' ' ' ARG . 89.8 t -129.53 107.83 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 29.7 ttp180 -34.96 139.84 0.31 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.0 Cg_endo -69.78 88.47 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 43.88 5.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.1 -131.15 6.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 -50.26 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.4 64.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.1 tpp -53.63 -49.98 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -41.35 -52.26 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.5 -32.61 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.77 49.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.7 130.76 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -133.45 177.46 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 49.6 mt-10 -61.29 162.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.67 -33.94 3.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.408 ' CG ' HD13 ' A' ' 83' ' ' LEU . 76.0 m-20 -43.89 124.34 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -97.48 108.06 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.9 125.68 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mm -104.71 -57.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -119.42 155.47 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.93 107.88 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 62.17 30.97 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.99 -33.0 6.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -71.25 151.43 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 75.3 mtp -98.53 102.81 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 m -97.41 34.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -72.04 -34.44 68.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -102.06 -42.71 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -43.9 150.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.4 p -86.41 158.49 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -42.47 -49.01 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -43.09 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.57 -23.11 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 t -85.03 -31.84 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -57.09 -63.03 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 72' ' ' LEU . 6.4 ptpp? -44.73 -34.74 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 13.7 mt -69.78 -48.55 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.99 -48.96 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 52.68 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.7 t -108.98 -47.49 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.96 -174.22 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.45 -53.81 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -123.91 176.97 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 80' ' ' ALA . 6.3 p -145.82 138.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 79' ' ' VAL . . . -90.55 102.84 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.058 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 mt -99.61 122.46 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -96.07 98.1 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.408 HD13 ' CG ' ' A' ' 51' ' ' ASP . 12.1 mt -86.63 154.93 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.7 tp -134.94 127.55 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.99 71.3 0.73 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.7 p -101.8 133.93 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.71 -48.53 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.1 p 46.54 48.83 13.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.39 148.77 21.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -43.06 2.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -156.45 129.93 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.3 p -82.18 87.99 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -78.91 168.82 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -168.38 150.64 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.45 118.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.17 135.8 54.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 t -127.45 146.61 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -147.59 10.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -85.11 117.29 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt20 -109.32 144.79 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -121.55 162.12 21.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.36 122.68 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.72 137.52 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.5 130.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 9.9 mt -113.51 122.9 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -101.98 119.74 39.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -38.91 137.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.57 -70.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -118.47 -59.5 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -86.65 -36.31 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 138.9 -58.73 0.61 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 41.0 m-85 -152.47 150.54 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.1 41.6 1.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.443 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 17.6 p90 -136.64 131.97 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.909 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -111.74 135.6 52.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -117.14 168.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -169.42 146.85 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.07 122.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.47 -54.71 42.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -109.57 -54.38 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.2 mm -90.94 82.06 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.79 129.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -138.96 145.64 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.75 113.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.96 -53.67 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -153.07 164.58 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.78 113.15 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -40.15 137.3 1.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.48 45.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.91 -132.63 7.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -113.06 -37.7 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.087 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -59.1 -54.32 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' GLY . 37.6 ttm -50.03 -53.78 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -45.0 -39.69 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.14 68.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' MET . . . 114.54 39.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 48' ' ' LYS . 96.3 t -98.26 137.64 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' N ' HG11 ' A' ' 47' ' ' VAL . 18.2 pttm -119.11 164.37 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -76.59 144.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.57 37.66 26.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -106.46 142.48 36.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 53' ' ' ILE . 32.3 tpt85 -87.04 146.29 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 33.7 mt -123.94 110.17 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -85.26 -52.04 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -115.99 152.11 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 65.8 t -138.03 116.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 51.1 39.55 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -119.36 128.47 54.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.2 mmm -75.86 103.56 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 31.2 m -127.02 104.52 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 p -132.03 -36.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -114.24 36.41 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -116.17 161.46 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 p -85.56 138.97 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.439 ' CD2' HG21 ' A' ' 70' ' ' VAL . 5.9 t-80 -38.53 -56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' HIS . 1.9 tt -38.17 -45.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -50.47 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.6 t -55.08 -41.17 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG21 ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -41.69 -58.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -42.38 -46.52 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -58.13 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.68 -32.09 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -95.49 53.22 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.1 t -151.7 127.52 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.2 -171.49 46.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -32.27 18.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -139.88 164.23 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.1 p -129.06 119.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.175 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.45 110.1 18.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.0 mt -109.43 146.71 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.424 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 55.1 m -108.44 96.38 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.2 mt -86.05 122.28 29.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt -114.04 128.92 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.79 138.73 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 m -120.95 130.28 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t 43.27 43.73 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -104.07 124.82 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.01 147.37 7.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 153.12 69.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.9 p -132.48 133.01 43.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.6 p -51.35 112.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -131.12 137.36 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -99.26 -61.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.96 95.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -38.11 131.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -146.63 113.78 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.55 148.84 5.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -77.01 136.61 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -96.83 136.6 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -110.45 164.39 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.805 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -124.24 112.21 16.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.1 mt -114.84 117.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.409 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 22.9 mt -97.91 132.74 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -121.22 139.65 53.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -42.26 124.11 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.9 -67.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -113.98 -54.49 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.84 49.56 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.57 -96.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -125.01 140.23 53.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.28 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.3 144.52 40.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -124.6 171.07 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.199 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' OG1' ' A' ' 24' ' ' THR . 27.2 m -146.3 169.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -173.68 144.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASP . . . 120.48 100.45 1.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' GLY . 2.3 m-20 -34.58 -66.08 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -98.8 151.6 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mm 51.62 50.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -47.86 139.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.3 mt -134.35 155.46 50.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.87 109.0 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -59.98 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -143.44 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.09 121.22 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -46.53 141.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.33 33.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.41 -142.84 4.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.26 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.97 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.16 -54.61 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -58.26 -28.78 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.96 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.12 37.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.2 t -111.61 134.97 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -129.65 166.57 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.47 128.19 35.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.22 35.96 3.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -117.37 140.34 49.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -98.71 130.76 45.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.61 107.41 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 80.4 mt -81.21 -60.45 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -117.34 155.5 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.46 106.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.08 39.33 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.93 -34.97 4.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.6 m -75.84 113.93 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttt -80.59 112.57 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.0 m -107.63 38.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.4 p -55.51 -44.03 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -129.33 79.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -150.44 172.83 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -81.59 139.51 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' VAL . 3.9 t-160 -47.44 -65.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 9.6 tp -35.41 -55.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.12 -43.92 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' HIS . 87.3 t -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -49.02 -58.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -43.11 -48.06 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.14 -41.59 75.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -70.98 -43.26 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -47.72 -51.59 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.8 t -75.96 107.87 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.75 131.34 3.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.3 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 8.3 p90 -125.06 161.23 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -132.97 125.26 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.37 108.25 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.01 138.61 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -102.93 94.91 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -95.81 121.94 38.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt -100.41 130.65 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.99 102.11 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 t -54.85 -52.23 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.0 t -120.19 109.8 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 m -84.11 145.12 28.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.08 82.35 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -131.41 149.84 52.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -102.57 92.05 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -97.55 167.69 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -152.48 120.11 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.07 50.94 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -55.3 -55.81 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -87.69 114.88 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.72 -175.94 45.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -120.52 125.76 74.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' HD13 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -98.1 159.58 14.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -134.81 142.75 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.8 129.88 41.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 13' ' ' ILE . 8.9 p -141.54 143.08 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.414 ' N ' HG22 ' A' ' 12' ' ' VAL . 94.9 mt -122.0 135.38 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -108.38 121.14 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -104.98 131.74 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -46.31 119.79 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -122.11 -46.5 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -98.76 47.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.28 47.87 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.7 153.62 8.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -54.5 147.99 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.19 35.55 3.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -132.33 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.0 p -118.41 162.78 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 m -142.76 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -146.59 145.67 30.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.89 123.61 2.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.69 -44.23 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -95.46 -55.95 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.53 107.33 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.6 t -77.2 131.11 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -142.15 147.71 37.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.08 107.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.4 -48.11 81.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' HG23 ' A' ' 36' ' ' VAL . 2.4 t -156.1 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.408 HG23 ' C ' ' A' ' 35' ' ' SER . 94.0 t -139.84 123.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 tpp180 -52.38 136.69 41.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.4 Cg_endo -69.81 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.95 38.03 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.43 -150.62 24.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.11 -45.81 25.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -58.37 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.8 tpp -46.59 -52.11 14.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -53.65 -45.4 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -29.35 68.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.19 38.77 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -109.3 122.95 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -118.27 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.91 146.71 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.77 -4.74 82.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.27 121.1 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -93.42 130.16 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mt -88.95 133.55 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.413 HG22 ' CG2' ' A' ' 62' ' ' THR . 4.8 mt -105.36 -54.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -123.05 144.97 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 t -134.43 121.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 43.68 49.75 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.2 30.87 76.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 m -127.55 121.55 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttm -78.9 87.85 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 m -92.52 39.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.413 ' CG2' HG22 ' A' ' 54' ' ' ILE . 17.8 p -79.29 115.03 18.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 68.42 46.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -117.63 -176.58 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 p -88.23 149.93 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -58.27 -58.55 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 tp -37.76 -51.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -56.2 -44.0 79.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -56.17 -54.75 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ILE . 97.1 t -45.81 -60.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' VAL . 13.2 tttm -34.73 -39.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.04 -47.52 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 41.5 mt -61.48 -43.36 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -90.49 46.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 t -105.91 -54.45 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.24 -175.36 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.41 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -178.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.8 p -147.86 133.2 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.25 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.06 136.75 53.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 m -103.59 95.2 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.6 mt -89.85 139.18 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 9' ' ' GLN . 3.9 tp -100.09 146.14 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.38 102.08 1.09 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 m -106.11 88.77 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.5 t 61.11 44.14 10.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -116.1 124.58 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.71 -170.59 18.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.425 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 89.04 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.626 2.218 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 t 47.11 44.27 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -109.81 42.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -68.44 125.48 26.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -51.94 94.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.08 137.99 5.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -67.11 149.14 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -98.55 102.22 13.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.81 -145.67 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -83.98 129.54 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.94 149.21 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -127.06 145.69 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.59 136.33 33.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 p -145.06 126.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.5 mt -97.81 136.36 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.5 mt -131.61 125.33 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -101.25 150.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -78.94 150.81 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -128.1 115.88 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 70.59 36.93 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 69.05 39.15 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 129.89 1.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -73.2 -64.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.09 -42.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -78.7 141.63 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 p -113.3 164.57 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 66' ' ' HIS . 5.3 m -147.67 168.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -169.94 142.74 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.98 140.08 4.03 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.84 -71.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -71.14 -75.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 pp -89.97 132.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.2 t -100.93 124.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 51' ' ' ASP . 12.0 mt -123.12 147.62 46.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.77 115.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.35 -48.47 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.0 m -154.76 162.02 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' ARG . 69.9 t -129.48 112.35 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 11.1 tpp180 -36.77 136.69 0.58 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.8 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.42 29.25 33.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.5 -127.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.72 -39.79 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.45 61.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 tpp -51.32 -48.03 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -53.14 -43.49 67.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -61.08 -31.16 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.08 39.75 1.93 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 48' ' ' LYS . 84.7 t -107.13 144.01 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' N ' HG11 ' A' ' 47' ' ' VAL . 22.9 mmmt -134.22 172.79 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.21 148.26 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.67 31.64 15.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' HD22 ' A' ' 32' ' ' LEU . 10.1 m-20 -114.48 110.07 19.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 15.8 ttm105 -84.45 105.54 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.4 mt -70.39 132.42 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -97.01 -50.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.03 155.97 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' CG1' ' OD1' ' A' ' 57' ' ' ASN . 91.2 t -137.75 106.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.459 ' OD1' ' CG1' ' A' ' 56' ' ' VAL . 4.4 p-10 45.07 39.36 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.64 -33.6 5.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -79.8 116.01 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 mtp -76.62 121.81 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 m -110.67 34.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -65.99 -30.43 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -121.11 -35.14 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 m -43.78 161.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.3 p -89.14 165.01 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 25' ' ' VAL . 11.5 t-80 -59.77 -46.06 90.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mt -50.09 -43.43 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.25 -35.9 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.27 -39.33 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 85.4 t -57.57 -65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -38.31 -46.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.19 -42.96 96.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' VAL . 48.1 mt -62.63 -65.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -42.68 -72.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -47.64 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.95 126.84 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.22 -48.66 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -134.85 176.15 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.1 p -147.98 125.23 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 110.03 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -105.73 142.23 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 m -111.84 97.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.8 mt -83.97 139.95 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 85' ' ' GLY . 4.8 tt -122.25 126.57 48.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.438 ' N ' HD21 ' A' ' 84' ' ' LEU . . . -43.68 141.56 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.2 p -106.8 108.03 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m -75.61 112.55 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p 36.76 51.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.13 -93.26 2.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -39.45 6.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.228 . . . . 0.0 112.378 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 t -59.34 133.82 56.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -79.83 -41.53 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -69.83 113.43 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -131.31 160.19 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.84 -69.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -43.56 -65.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -108.17 86.69 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.38 158.13 2.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t -117.5 113.56 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -104.3 164.03 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -142.04 175.39 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -123.29 118.08 26.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.01 139.99 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -112.53 134.75 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -129.07 133.88 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -114.93 153.04 31.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -80.16 122.88 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.37 -44.84 5.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -110.17 49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.14 35.52 23.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.91 141.03 3.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -65.25 -176.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.28 41.15 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 p90 -137.83 153.57 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -125.79 164.93 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.563 HG23 ' CD2' ' A' ' 66' ' ' HIS . 4.1 m -148.78 158.39 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -92.56 -6.61 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.5 18.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.438 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ARG . 2.1 m-20 -78.21 -174.78 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 28' ' ' ASP . 18.1 ttp-105 -33.52 -64.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 52' ' ' ARG . 1.9 tp -102.01 76.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' ILE . 33.9 t -32.88 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 50' ' ' GLY . 6.5 mt -119.89 149.58 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.48 106.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -62.88 -58.76 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -141.99 168.15 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -145.3 109.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -44.48 142.9 2.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.78 16.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.31 27.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.22 -153.61 7.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.55 -32.06 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.76 -53.1 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.3 tpp -46.02 -47.56 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -58.17 -47.32 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.88 -23.77 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.29 37.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.6 t -105.22 151.39 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 166.96 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.11 125.24 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . 122.57 -32.57 4.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.55 128.09 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 30' ' ' ILE . 23.6 ttp180 -101.4 110.02 21.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 41.1 mt -83.85 121.15 36.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.6 mt -108.32 -49.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -117.36 158.33 24.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -148.52 106.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 62.8 41.61 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.97 -9.08 26.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -101.66 121.76 42.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 ttm -71.22 130.74 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.8 36.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.4 ' C ' ' CG ' ' A' ' 63' ' ' ASN . 65.1 p -73.4 148.97 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 62' ' ' THR . 0.7 OUTLIER 45.28 43.13 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.0 m -114.35 -175.0 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -102.03 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.563 ' CD2' HG23 ' A' ' 25' ' ' VAL . 7.2 t-160 -80.47 -37.04 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.58 -51.18 61.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.02 -68.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -40.07 -58.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.1 t -40.24 -64.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -40.45 -45.85 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.99 -38.67 76.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.4 -34.66 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.21 60.66 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -125.83 121.98 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.86 -124.06 23.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.3 -24.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -136.95 175.22 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.12 124.74 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.87 102.82 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.6 mt -106.93 138.18 43.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.6 m -93.22 100.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -105.59 130.54 53.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 2.0 pp -110.69 168.64 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.36 111.11 1.06 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.0 t -100.84 -26.17 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -61.04 133.21 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.8 m -129.17 159.1 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.21 -65.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.441 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.98 13.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.626 2.217 . . . . 0.0 112.393 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -44.66 123.0 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -58.12 145.07 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -137.21 145.58 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -137.61 173.99 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.07 75.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -118.6 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -68.17 88.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.49 175.83 38.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.5 t -114.98 122.08 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -113.13 151.83 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -120.01 146.02 46.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -89.42 111.02 21.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -112.64 152.75 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 14' ' ' ILE . 68.2 mt -140.54 135.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 18.0 mt -123.99 136.47 60.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -123.97 140.19 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -44.06 136.76 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -117.89 -58.56 2.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -115.06 -58.08 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -129.58 41.45 3.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.12 -131.51 10.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -95.03 143.06 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.47 10.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -80.79 154.08 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -142.63 144.68 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.8 m -115.54 144.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -130.58 8.47 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.04 117.32 4.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.85 -70.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -71.79 -42.79 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.04 100.32 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -54.78 118.65 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -134.74 135.75 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.24 102.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.54 -54.41 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -148.01 155.58 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.89 120.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 17.5 tpp180 -44.43 136.29 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.76 -0.65 7.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.59 48.94 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.69 -165.16 14.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.65 -50.31 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.25 -61.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.2 ttm -45.59 -51.26 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -54.9 -42.37 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.08 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.1 37.35 1.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.2 t -109.29 117.85 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -115.86 161.88 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.41 151.08 17.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.32 -20.15 35.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -59.61 135.1 57.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.752 0.311 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' CZ ' ' CB ' ' A' ' 52' ' ' ARG . 8.8 ttp-105 -108.21 136.78 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.15 131.75 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.93 -51.15 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -128.93 156.86 43.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.0 t -142.86 107.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.5 m120 57.89 32.12 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.59 -11.34 71.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 m -98.05 110.55 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.96 135.85 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.7 24.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -55.91 -44.01 77.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -127.43 51.19 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -116.36 152.06 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.1 p -82.53 132.98 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -39.82 -52.81 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.69 -59.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.89 -41.27 86.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 95.4 t -54.39 -44.59 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.45 -55.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.68 -42.13 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 69' ' ' VAL . 28.4 mt -57.44 -46.32 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 27.9 mt -67.79 -17.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -94.81 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -116.77 92.52 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.48 -123.41 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.55 -40.93 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 6.4 p90 -117.49 -178.67 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.5 p -145.93 134.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.7 114.51 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -111.44 153.5 26.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -112.34 96.95 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.4 mt -86.39 150.01 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.89 132.51 52.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.71 82.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -70.93 124.18 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -97.39 83.33 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.4 m -105.13 111.9 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.24 146.47 6.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 126.86 13.81 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -127.74 160.74 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.3 p -69.86 110.5 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 56.42 42.31 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -104.39 150.74 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.85 89.62 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 56.01 36.61 27.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -103.38 112.46 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.89 141.13 15.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p -108.88 125.75 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -88.47 151.43 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -124.36 173.74 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -117.06 120.53 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.42 140.82 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -128.44 137.99 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mt -118.59 127.15 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -103.97 118.26 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 3.0 pptp? -59.3 170.55 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 -176.41 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -41.29 -46.87 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CE1' ' O ' ' A' ' 20' ' ' GLY . 12.3 p80 -80.88 -37.72 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.552 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . 121.86 177.12 15.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 32.5 m-85 -51.63 170.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.42 34.81 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.5 p90 -134.2 145.85 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -129.87 138.51 50.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.7 m -116.92 173.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -165.76 145.62 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.4 121.22 2.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.2 -56.33 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.99 -38.89 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.91 78.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.5 129.66 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.1 mt -141.64 143.67 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.61 116.39 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -53.17 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.416 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 51.9 m -160.29 155.92 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.2 t -128.35 139.36 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -68.19 134.39 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -1.27 8.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.647 2.231 . . . . 0.0 112.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.08 44.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.35 -137.94 7.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.93 -33.9 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -62.62 -45.6 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.6 tpp -59.13 -46.2 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -51.87 -46.53 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -28.99 68.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.97 47.64 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.76 137.01 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -135.85 167.21 21.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 36.3 mt-10 -59.48 146.93 38.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.23 34.69 9.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -120.03 144.38 47.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.96 156.72 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 56' ' ' VAL . 25.4 mt -125.19 125.81 69.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.84 -46.91 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 149.08 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG2' HG23 ' A' ' 53' ' ' ILE . 56.0 t -137.06 117.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.65 41.9 18.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.88 75.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -121.57 109.34 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.51 110.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.1 m -117.06 22.06 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 p -55.81 -26.71 47.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.5 t30 -110.33 -51.32 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' ASN . 74.3 m -37.1 154.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 t -82.05 160.55 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -57.79 -61.67 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -38.0 -36.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.24 -61.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.6 t -40.47 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -47.06 -53.79 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 72' ' ' LEU . 19.1 pttm -39.13 -46.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 71' ' ' LYS . 5.7 mt -65.75 -56.97 9.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 mt -43.84 -51.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.3 ptpt -78.98 60.83 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -145.87 143.63 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.19 -148.88 45.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.7 -33.95 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 158.55 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.8 p -130.99 120.23 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.85 132.4 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.8 mt -126.23 138.24 53.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -97.98 95.26 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.0 mt -86.88 144.33 27.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp -132.43 136.67 46.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -43.86 108.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 p -95.1 167.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -141.04 134.06 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -70.31 -52.39 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.28 149.34 21.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 124.54 11.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.2 p -172.39 162.87 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t -47.67 149.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -124.3 172.07 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -57.5 171.93 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.07 111.03 1.61 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -65.71 126.15 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.365 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 p -102.76 154.96 18.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.62 -151.88 52.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -144.89 120.82 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -99.91 154.6 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 14.8 ttm105 -135.87 144.22 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -101.43 131.56 47.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.09 130.62 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -109.88 127.89 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 21.3 mt -107.13 130.75 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' LYS . 12.9 pt20 -110.67 124.74 52.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLN . 13.8 ptpt -34.62 118.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -112.63 -36.08 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -127.21 79.42 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.3 p80 38.23 42.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.34 157.1 9.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 31.4 m-85 -49.98 168.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.95 6.99 7.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -109.52 166.19 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -142.53 172.22 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.32 158.82 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -85.93 -0.57 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.11 90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ARG . 1.4 p-10 -161.45 -176.98 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' ASP . 38.2 mtt180 -34.97 -40.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 mm -127.36 69.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ILE . 20.4 t -35.22 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.5 mt -108.91 144.73 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -57.56 108.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.41 -59.78 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -150.94 167.18 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 43' ' ' MET . 38.1 t -144.4 154.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 13.0 tpp180 -80.48 136.21 52.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.81 90.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.78 26.71 8.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.432 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.68 -151.64 26.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 14' ' ' ILE . . . -78.27 -41.93 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.24 96.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.47 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 7.4 mmm -64.47 -57.59 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -50.65 -21.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.07 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 43.45 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.9 t -122.63 129.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -139.09 166.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.52 146.31 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.05 37.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 146.72 53.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -116.62 133.92 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 21.1 mt -101.72 114.61 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.88 -45.73 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -117.39 149.07 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG11 ' CG2' ' A' ' 79' ' ' VAL . 66.3 t -141.33 116.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.82 30.64 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.67 -18.42 52.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.7 m -100.49 131.63 46.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 ptm -74.61 128.6 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.8 m -106.26 7.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.1 p -54.55 146.1 17.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.6 47.91 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t -129.68 157.79 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -77.81 -179.02 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.469 ' CD2' HG22 ' A' ' 70' ' ' VAL . 22.9 t-160 -69.51 -70.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' HIS . 7.7 tp -35.63 -58.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -42.82 -45.63 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.4 t -74.08 -42.92 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 66' ' ' HIS . 62.0 t -48.48 -50.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -59.45 -39.79 84.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.21 -27.17 66.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.401 ' CG2' ' CE2' ' A' ' 21' ' ' PHE . 49.2 mt -77.7 -57.32 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -84.06 62.81 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 t -112.78 -39.84 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.66 -153.85 7.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.64 -20.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 1.1 p90 -153.19 -176.23 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.45 ' CG2' HG11 ' A' ' 56' ' ' VAL . 7.7 p -152.19 120.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 121.35 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.8 mt -113.62 158.25 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -118.99 106.69 12.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -98.86 118.64 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 85' ' ' GLY . 8.1 tp -102.73 126.17 49.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' HD11 ' A' ' 84' ' ' LEU . . . 54.3 -130.48 44.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m 57.31 42.24 25.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 89' ' ' GLY . 3.2 m -94.53 92.99 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -63.88 74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' SER . . . -159.14 83.48 0.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.79 31.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.375 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -60.32 -51.25 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -114.49 112.42 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -129.19 96.49 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -106.19 162.28 13.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -172.91 156.65 25.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 52.5 p 36.79 43.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -154.74 158.67 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.48 132.07 10.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.94 122.23 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.4 164.3 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -134.39 129.91 36.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.79 110.28 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 p -109.03 138.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.58 118.19 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 14.7 mt -104.84 131.44 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 8.2 pt20 -102.45 123.48 46.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -54.48 165.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -125.93 -175.78 3.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -50.09 -20.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -110.31 -35.08 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 169.52 15.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -45.37 164.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.51 50.76 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -135.16 139.86 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -118.96 161.53 20.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.39 162.71 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 28' ' ' ASP . 8.4 t -87.94 -7.51 57.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.64 20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ARG . 9.9 m-20 -84.27 -175.07 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' ASP . 15.5 ttm-85 -34.44 -47.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.9 mm -117.93 87.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.43 107.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -129.22 136.56 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -58.35 116.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.93 -43.48 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -148.32 158.16 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.8 t -135.08 113.22 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -38.22 134.61 0.9 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 99.58 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.54 -107.64 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.93 -52.49 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.5 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 ttm -62.45 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -44.15 -48.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.412 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -61.48 -31.66 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 40.68 0.88 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.2 t -108.72 130.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 7.4 mptt -108.03 -175.92 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -95.5 105.16 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.59 28.5 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.45 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 0.8 OUTLIER -102.48 154.28 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -110.01 129.68 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.442 HG22 ' CG2' ' A' ' 56' ' ' VAL . 22.1 mt -101.71 111.93 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.2 mt -83.5 -56.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -115.82 155.08 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.442 ' CG2' HG22 ' A' ' 53' ' ' ILE . 90.8 t -146.34 114.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 53.95 30.17 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.98 29.11 35.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.4 m -127.28 111.72 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.2 mtp -59.15 104.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 20.2 m -131.83 104.03 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.3 -33.64 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -129.74 50.58 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -114.8 163.38 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -81.48 152.42 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' LEU . 18.6 t-160 -40.56 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -35.81 -66.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -39.24 -38.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' HIS . 59.7 t -79.44 -33.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' LEU . 90.5 t -51.97 -53.4 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -40.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.8 mt -71.13 -46.59 61.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.5 -47.94 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -84.56 53.57 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -154.12 109.27 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.07 144.55 14.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.76 -27.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -146.61 -179.68 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.15 112.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.97 102.73 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.67 141.19 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -111.57 94.96 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.34 137.01 32.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 85' ' ' GLY . 0.6 OUTLIER -101.12 133.06 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.445 ' N ' ' CD1' ' A' ' 84' ' ' LEU . . . -35.08 106.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 m -56.01 169.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -133.41 114.22 13.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 m -72.05 -50.09 31.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.86 83.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.0 p -72.3 108.51 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -70.73 105.24 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -77.78 141.51 39.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -90.17 149.83 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.2 108.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -49.94 144.17 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.848 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -86.05 152.52 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.42 15.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -145.2 131.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.111 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.87 161.18 15.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 46' ' ' GLY . 7.6 ptm180 -124.77 120.69 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -86.17 124.59 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 45' ' ' ALA . 4.5 p -134.0 124.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.09 124.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mt -108.28 131.62 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.23 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 77' ' ' ALA . 14.1 pttm -57.14 117.11 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -92.37 -43.01 9.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -118.54 44.13 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 64.04 45.72 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.74 136.57 2.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.98 169.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.82 43.13 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -137.68 132.56 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -106.94 144.51 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.78 135.86 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.3 p -82.21 110.22 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.47 125.15 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.8 t0 -175.07 -179.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' ASP . 2.9 tpt180 -34.19 -43.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.5 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 1.7 pp -130.29 79.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 30' ' ' ILE . 24.8 t -33.19 128.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 9.6 mt -128.97 160.92 31.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.4 t -89.32 113.22 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -155.37 169.79 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' ARG . 97.4 t -132.17 109.24 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 52.9 ttm-85 -36.61 139.56 0.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 90.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.65 37.11 7.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 -124.41 3.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.83 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.19 -50.2 74.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.7 ttm -54.04 -48.01 71.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -55.37 -46.44 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -62.61 -28.92 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' NH2' ' A' ' 10' ' ' ARG . . . 111.81 42.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.1 143.55 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -134.95 160.25 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -73.32 141.98 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.48 39.71 5.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.23 133.12 42.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 32' ' ' LEU . 16.1 mtt180 -93.61 144.78 25.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 HG23 ' CG2' ' A' ' 56' ' ' VAL . 17.8 mt -111.66 126.3 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mm -99.17 -32.99 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HD3' ' CA ' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -126.44 153.34 45.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 45.5 t -150.46 120.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 42.3 46.04 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.466 ' CA ' ' HD3' ' A' ' 55' ' ' LYS . . . 82.28 -28.55 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' VAL . 56.5 m -92.43 128.24 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 mtm -77.88 143.14 38.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.01 36.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -70.78 140.59 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 44.44 41.37 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 p -118.71 178.07 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.2 m -110.05 171.96 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -62.14 -37.83 86.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.52 -58.58 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.13 -59.54 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.7 t -41.14 -37.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 73' ' ' ILE . 49.8 t -65.05 -67.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' VAL . 7.4 tttm -36.66 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' VAL . 43.9 mt -75.13 -44.61 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' VAL . 95.2 mt -64.15 -54.02 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -41.44 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 m -42.04 103.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.88 145.07 7.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . . . -64.95 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -148.36 169.64 19.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 80' ' ' ALA . 14.5 p -140.15 141.44 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.431 ' N ' HG21 ' A' ' 79' ' ' VAL . . . -99.36 115.51 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mt -106.01 136.68 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 84.9 m -106.65 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' N ' HD22 ' A' ' 83' ' ' LEU . 4.9 mt -83.0 132.07 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tp -121.03 133.03 55.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.37 -142.8 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.9 p -102.01 159.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' SER . 56.2 m -100.83 166.78 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' SER . 70.7 p -34.65 127.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.37 82.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' SER . 1.4 t -77.71 149.65 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' SER . 4.7 m -38.28 -54.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -98.51 108.64 21.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -122.0 108.96 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.21 46.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -132.98 104.36 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -120.33 142.09 49.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 174.55 45.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -66.99 154.1 8.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -125.02 138.26 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -116.59 141.26 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.62 131.49 38.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -132.14 139.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.21 126.22 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 45' ' ' ALA . 28.4 mt -108.66 124.87 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' LYS . 1.4 pt20 -114.34 127.67 55.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.2 mtmt -34.47 107.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.86 -45.22 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -111.66 50.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 58.03 43.26 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.78 145.57 5.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -56.05 174.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.48 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 25.9 p90 -136.84 125.41 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 p -108.65 137.87 45.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.55 173.25 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 p -168.21 132.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.87 141.14 3.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.18 -75.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -62.7 -73.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.99 138.34 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 61.8 t -102.28 112.64 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 51' ' ' ASP . 7.8 mt -109.7 148.02 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.86 118.06 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -76.76 -51.35 11.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -152.83 150.61 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' ARG . 87.2 t -124.54 105.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 18.8 tpp180 -36.06 135.97 0.52 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -69.74 82.48 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.75 46.02 2.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.08 -129.46 6.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.79 -30.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -76.57 -34.46 58.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.8 ttm -68.44 -43.36 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -72.81 -29.09 62.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -64.87 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.66 25.74 2.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.27 134.53 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 -178.05 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.9 152.52 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.81 34.09 71.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' C ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -104.84 108.2 19.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -85.4 119.91 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 54' ' ' ILE . 18.4 mt -90.42 137.84 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.44 ' N ' HG21 ' A' ' 53' ' ' ILE . 19.1 mt -106.23 -48.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.47 155.95 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.65 103.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 48.9 29.12 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.68 -43.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -70.56 107.58 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.4 ttm -71.69 108.25 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' THR . 33.5 m -96.69 21.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -36.63 -44.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 11.5 p-10 -132.17 73.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -141.77 140.42 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -62.22 156.94 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.572 ' CD2' ' CG2' ' A' ' 70' ' ' VAL . 20.6 t-160 -47.88 -59.02 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.0 mt -39.9 -57.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.5 -37.85 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.5 t -78.44 -35.2 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.572 ' CG2' ' CD2' ' A' ' 66' ' ' HIS . 93.2 t -59.51 -48.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -60.67 -39.54 88.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.62 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 39.8 mt -70.97 -50.47 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.5 -50.6 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -56.96 123.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.24 153.4 27.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.28 91.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.13 -176.25 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 80' ' ' ALA . 4.6 p -154.99 133.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 79' ' ' VAL . . . -92.85 127.44 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -125.9 137.49 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 m -99.41 106.85 18.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.3 mt -99.39 138.43 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tt -123.75 139.86 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.51 121.77 4.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.9 p -75.0 169.96 16.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.2 t -130.79 -61.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -50.83 103.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.13 -93.19 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 95.66 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -64.46 117.64 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t 42.29 40.56 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' GLY . 52.3 p 35.29 40.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -84.77 137.7 33.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.62 -149.67 18.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -121.02 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.392 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -116.19 129.74 56.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.52 22.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.98 134.19 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.44 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' CYS . 16.7 tpt180 -113.35 152.16 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 26.2 p -100.41 103.68 15.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.85 141.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.0 mm -119.71 138.3 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 41' ' ' ALA . 31.5 mt -135.91 146.31 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.4 pm0 -121.57 150.45 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -86.84 150.27 24.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.65 -178.92 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ASP . 3.5 tm0? -36.3 -46.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -79.05 -43.27 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.7 -156.29 26.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -74.92 -65.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.26 -51.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.547 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.2 p90 -81.2 132.13 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -118.97 150.71 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 66' ' ' HIS . 29.0 m -122.68 144.85 30.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -130.39 3.89 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.8 118.02 5.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.69 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -42.97 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mm -121.62 91.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.1 t -47.09 112.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.8 mt -128.28 148.38 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.22 114.25 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -86.33 -44.24 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -146.16 153.9 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -136.6 123.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -55.56 133.56 71.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.61 2.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' HD2' ' A' ' 37' ' ' ARG . . . -162.07 39.09 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.66 -150.8 23.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -94.88 -36.54 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -61.77 -53.78 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.9 tpp -44.51 -53.04 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.95 -37.05 42.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.51 65.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.81 24.37 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -89.86 126.18 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -123.7 167.83 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.96 123.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.87 -0.92 15.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.52 132.06 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -102.89 140.37 37.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.45 122.63 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.45 -46.2 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -116.77 142.35 47.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG23 ' CD2' ' A' ' 81' ' ' LEU . 67.6 t -139.95 106.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m120 62.93 33.14 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.11 -23.75 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -95.93 116.91 29.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptm -66.27 136.11 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.0 m -113.62 9.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -49.26 133.33 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 55.52 48.16 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -129.32 142.87 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' HIS . 26.5 p -62.34 135.36 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.533 ' CE1' HG21 ' A' ' 25' ' ' VAL . 2.7 t60 -37.09 -49.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -50.08 -61.01 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -43.63 -40.81 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.8 t -63.68 -53.48 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -38.81 -50.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -41.45 -42.78 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.43 -39.79 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.91 -68.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -39.91 -52.37 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -44.92 102.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 164.06 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.76 -52.44 56.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -105.85 172.16 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -138.34 124.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.56 137.05 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.045 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' HG23 ' A' ' 56' ' ' VAL . 20.4 mt -135.62 156.09 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -128.61 101.92 6.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -93.89 147.7 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tt -110.27 126.68 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.57 113.38 5.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -77.66 171.29 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.839 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.0 p -153.71 145.6 23.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -60.02 144.12 50.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.6 146.53 47.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.6 Cg_endo -69.83 -31.58 19.95 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' PRO . 5.0 m -34.55 131.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -124.29 146.16 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -69.28 160.32 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -172.67 140.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.26 -175.87 18.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -132.47 -48.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -40.41 145.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.8 -177.08 52.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.46 125.2 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.99 159.16 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -126.81 144.72 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -96.51 129.44 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.87 137.67 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.57 119.94 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.2 mt -103.56 109.65 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -98.89 117.77 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -42.08 140.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -117.2 -38.15 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -113.53 49.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 62.54 32.46 16.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.93 164.73 20.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.424 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -85.65 167.16 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.21 37.53 2.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -138.27 131.07 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLN . 52.6 p -108.02 142.01 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.04 175.03 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -168.76 155.13 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.79 135.61 4.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -75.35 -70.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -66.11 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.62 138.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.6 t -102.68 133.89 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.52 156.32 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.6 104.65 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 54.7 tp60 -61.16 -62.19 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -139.1 165.2 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 t -139.51 110.76 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' VAL . 21.1 tpp180 -37.9 135.04 0.82 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.72 44.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.98 -130.95 6.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.91 -56.75 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.82 -46.06 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.7 tpp -62.6 -48.54 78.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -53.55 -29.08 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.02 -21.9 36.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.28 47.55 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 48' ' ' LYS . 97.3 t -102.07 160.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.37 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 18.6 mmmt -147.41 168.15 22.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -81.89 136.74 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.62 17.62 25.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.73 112.11 23.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.5 ttp85 -80.36 114.29 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.37 131.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.06 -46.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 13.0 ttmm -124.14 157.91 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 54.2 t -139.85 105.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.8 p30 45.72 37.53 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.54 6.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -76.41 115.45 16.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.167 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 mmm -79.17 110.44 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.61 21.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -57.7 -19.15 25.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.23 -33.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m -51.98 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -119.56 170.09 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -47.82 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.72 -50.38 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.09 -25.65 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 72' ' ' LEU . 24.5 t -84.9 -44.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.71 -45.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -61.87 -35.84 79.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' VAL . 9.8 mt -71.65 -45.28 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.17 -45.75 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 38.8 mtpt -65.53 -71.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.2 t -37.48 107.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' TYR . . . 111.57 123.56 4.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -35.67 -34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLY . 1.5 p90 -138.29 178.23 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -149.32 136.41 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.55 123.44 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.11 138.96 52.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -104.33 99.93 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.88 127.27 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tt -98.22 142.29 30.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.74 116.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.5 p -119.71 122.46 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 t 49.78 42.99 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -125.13 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.66 -170.72 12.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.96 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -130.44 107.64 9.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 t -94.01 125.15 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.4 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.7 142.86 50.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -118.98 161.0 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.28 123.49 47.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.01 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.1 134.19 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.519 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 8.1 mt -117.49 128.51 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -105.75 118.46 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.97 31.57 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.441 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.0 p90 -137.68 153.67 49.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -141.12 146.11 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 33' ' ' VAL . 29.5 m -123.17 178.26 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -171.0 129.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.8 142.1 3.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.89 -70.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -80.55 -65.78 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -89.86 128.55 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG1' HD12 ' A' ' 53' ' ' ILE . 86.2 t -106.61 124.22 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' ARG . 13.9 mt -132.22 145.02 51.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' HA ' HG12 ' A' ' 25' ' ' VAL . 43.8 t -58.67 109.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -70.16 -58.23 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -131.16 167.43 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -145.69 122.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -48.24 145.75 5.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.33 8.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.55 27.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.62 173.13 50.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' CG2' ' A' ' 14' ' ' ILE . . . -52.83 -26.49 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -74.45 -49.55 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.9 tpp -57.77 -43.32 85.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -14.73 61.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.66 -31.28 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.057 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.16 33.79 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.542 ' CG1' HG21 ' A' ' 33' ' ' VAL . 98.4 t -102.24 110.95 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -107.44 161.28 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.92 121.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.26 40.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.06 108.16 13.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.564 ' CA ' HD23 ' A' ' 32' ' ' LEU . 12.2 ttp180 -73.69 129.55 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.491 HD12 ' CG1' ' A' ' 31' ' ' VAL . 23.5 mt -83.5 127.16 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.6 -53.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -124.27 141.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 HD23 ' A' ' 81' ' ' LEU . 58.4 t -134.64 102.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 55.38 44.3 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.21 13.76 81.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.55 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -121.74 103.36 8.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 mtp -61.62 119.46 8.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.88 26.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -57.39 -28.54 63.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 -33.8 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -39.08 158.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . 20.0 m -92.83 153.58 18.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' VAL . 19.8 t-160 -37.35 -65.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 16.5 mt -34.95 -59.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -51.06 -41.74 60.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 31' ' ' VAL . 25.4 t -66.6 -44.57 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -52.77 -63.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.25 -40.51 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 69' ' ' VAL . 51.2 mt -58.71 -41.66 86.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.47 -22.21 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.52 19.51 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -115.96 106.38 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.29 149.41 24.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.43 -54.26 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 3.9 p90 -107.42 179.75 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 79' ' ' VAL . 7.5 p -150.78 118.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.52 107.4 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 56' ' ' VAL . 22.1 mt -109.17 132.64 53.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -102.63 98.39 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.96 150.16 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 84' ' ' LEU . 14.5 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.775 0.322 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -103.35 133.32 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -107.88 157.27 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -114.37 107.5 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -103.33 157.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' N ' HG22 ' A' ' 12' ' ' VAL . 87.4 mt -133.93 127.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.548 HD11 HG21 ' A' ' 47' ' ' VAL . 70.0 mt -119.97 120.16 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.44 133.08 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 pttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 59.3 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.36 36.28 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.1 p90 -136.29 136.57 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 p -118.32 149.53 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.1 m -128.03 176.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -172.42 141.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.29 140.01 3.2 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.88 -48.6 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -110.7 -55.52 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 30' ' ' ILE . 37.3 mm -97.13 86.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -66.51 138.24 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 52' ' ' ARG . 16.2 mt -142.88 161.18 38.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 25' ' ' VAL . 85.5 t -75.67 115.23 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -69.95 -58.4 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -145.54 172.75 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -145.74 122.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -50.76 143.37 14.89 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -4.91 15.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.17 38.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.46 -129.5 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -17.73 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -79.98 -44.62 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.28 -47.75 84.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -57.12 -29.17 63.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.81 58.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.38 41.06 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.548 HG21 HD11 ' A' ' 14' ' ' ILE . 65.3 t -108.72 143.76 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -125.58 166.42 16.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.82 121.34 26.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.7 21.7 6.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.58 ' OD2' HD13 ' A' ' 83' ' ' LEU . 10.0 t0 -100.58 136.16 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.836 ' HA ' HD23 ' A' ' 32' ' ' LEU . 19.5 ttm180 -90.4 143.64 26.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 mt -109.86 124.82 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -90.28 -51.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -127.13 149.7 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 79' ' ' VAL . 27.4 t -132.9 118.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 54.16 39.84 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.67 24.95 76.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 m -125.74 128.56 47.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.1 tpt -67.78 116.03 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 61' ' ' VAL . 25.2 m -132.6 47.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -81.95 -34.0 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -128.59 50.78 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 p -123.09 154.66 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -69.07 139.74 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.513 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.1 t-160 -42.99 -44.27 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.775 HD12 ' H ' ' A' ' 67' ' ' LEU . 5.0 mp -53.09 -60.68 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.36 -45.51 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 72' ' ' LEU . 92.2 t -64.84 -45.5 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 66' ' ' HIS . 55.0 t -45.77 -55.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -47.95 -36.75 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 69' ' ' VAL . 33.4 mt -65.6 -44.45 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 79' ' ' VAL . 41.2 mt -68.32 -48.01 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HD2' HG12 ' A' ' 70' ' ' VAL . 27.1 mttm -47.29 -63.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.9 p -73.8 123.68 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' ALA . . . 115.21 112.79 2.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -36.17 -47.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -128.45 157.78 40.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG2' HG13 ' A' ' 56' ' ' VAL . 5.5 p -125.26 119.85 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.47 106.67 11.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.42 141.12 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 95.81 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' OD2' ' A' ' 51' ' ' ASP . 6.4 mt -90.34 141.92 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 8' ' ' VAL . 37.9 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 8' ' ' VAL . 14.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.772 ' OE1' HG21 ' A' ' 82' ' ' THR . 10.0 pt20 -81.16 143.74 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -116.6 169.48 9.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.29 130.65 56.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -133.78 136.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.68 127.0 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.589 HD11 HG21 ' A' ' 47' ' ' VAL . 27.3 mt -120.77 132.68 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LYS . 28.5 pt20 -113.54 123.44 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' GLN . 32.2 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.943 0.402 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.01 -49.91 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 36' ' ' VAL . 8.1 p90 -84.03 139.35 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 p -116.65 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 66' ' ' HIS . 30.1 m -129.07 145.84 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 t -143.16 144.02 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.76 164.16 12.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -107.1 -48.78 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -110.91 -48.66 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.0 mm -106.78 93.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.2 t -68.98 137.62 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 51' ' ' ASP . 22.0 mt -142.98 151.82 41.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.91 103.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.17 -62.18 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -147.46 159.86 43.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 23' ' ' PHE . 97.2 t -137.8 109.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 31.6 ttm-85 -36.72 142.05 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.76 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.48 4.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.43 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.47 -107.87 3.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.57 -48.12 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.601 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -58.41 -51.66 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 tpp -50.02 -54.7 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -43.11 -52.42 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' HG23 ' A' ' 12' ' ' VAL . . . -63.18 -28.98 70.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.6 41.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' ' HB1' ' A' ' 42' ' ' ALA . 24.5 t -109.71 141.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -150.08 178.32 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.48 148.63 49.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.26 -24.43 32.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.628 ' O ' HD23 ' A' ' 32' ' ' LEU . 17.6 m-20 -63.78 148.22 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.813 0.34 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 19.5 ttm105 -115.8 135.21 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.73 130.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -105.42 -54.78 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -118.22 158.42 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 81' ' ' LEU . 58.9 t -150.52 110.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.78 32.67 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.73 -34.82 4.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.9 m -71.41 117.61 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -76.46 88.78 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' VAL . 28.1 m -94.38 97.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 p -121.26 -37.44 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -118.64 65.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 m -145.26 179.85 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.5 m -95.15 162.84 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.661 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 t-160 -64.28 -57.54 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.7 tt -36.57 -43.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.61 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 65' ' ' SER . 39.8 t -49.41 -29.04 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 66' ' ' HIS . 91.4 t -60.83 -62.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -47.1 -45.09 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.51 -35.25 52.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.482 HG12 HG21 ' A' ' 79' ' ' VAL . 50.8 mt -79.8 -44.03 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -42.2 -48.74 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -71.67 118.94 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.63 4.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.52 -58.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -105.16 176.46 5.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.482 HG21 HG12 ' A' ' 73' ' ' ILE . 11.9 p -146.42 138.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.555 HD11 ' HZ ' ' A' ' 23' ' ' PHE . 71.3 mt -108.08 147.4 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' OE1' ' A' ' 9' ' ' GLN . 92.8 m -112.44 101.36 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 51' ' ' ASP . 11.1 mt -102.29 134.78 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.443 ' C ' HD23 ' A' ' 84' ' ' LEU . 5.8 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.715 0.293 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -116.42 141.4 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -121.21 165.92 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.66 128.09 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.02 147.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.4 mt -121.2 136.88 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 47' ' ' VAL . 21.1 mt -136.35 128.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 153.54 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 21' ' ' PHE . 22.1 mtmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 36.5 m-85 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.93 -19.13 63.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 21' ' ' PHE . 5.0 p90 -94.5 145.3 24.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 p -127.51 165.74 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.68 166.39 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 p -167.11 123.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 162.3 177.43 35.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -127.61 -43.95 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -108.48 -37.91 5.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.663 HG23 ' HE ' ' A' ' 52' ' ' ARG . 28.1 mm -121.83 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.8 128.5 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 52' ' ' ARG . 63.8 mt -142.2 129.28 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 36' ' ' VAL . 21.0 t -46.41 106.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.37 -57.37 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -141.87 167.98 20.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' HG11 ' A' ' 33' ' ' VAL . 69.1 t -146.12 110.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 6.2 ttt85 -38.65 140.64 0.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.79 -4.65 14.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.26 39.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.27 -156.77 32.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.17 -22.7 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.11 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttm -52.77 -54.94 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -56.49 -30.95 63.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.76 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.25 43.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 14' ' ' ILE . 90.4 t -124.31 136.35 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -136.39 171.93 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.09 147.42 52.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.16 23.1 45.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB3' HD22 ' A' ' 83' ' ' LEU . 4.1 m-20 -101.57 130.47 47.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HE ' HG23 ' A' ' 30' ' ' ILE . 35.9 ttt-85 -107.6 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt -81.91 133.27 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -103.38 -48.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' CA ' ' A' ' 60' ' ' MET . 5.7 tptt -117.74 149.1 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.13 107.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 62.42 26.9 16.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.32 -9.59 75.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -102.78 103.17 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.481 ' CA ' ' HD2' ' A' ' 55' ' ' LYS . 3.9 ptm -52.83 130.62 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.589 HG11 HG22 ' A' ' 69' ' ' VAL . 17.1 m -116.47 26.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -56.87 -62.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -91.83 18.91 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -94.67 164.78 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.1 m -100.0 172.43 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 70' ' ' VAL . 13.5 t-160 -55.89 -60.86 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.7 mt -41.64 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.36 -55.93 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 HG11 ' A' ' 61' ' ' VAL . 55.1 t -53.04 -41.59 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 66' ' ' HIS . 28.2 t -56.48 -61.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -40.63 -38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.91 -35.33 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' VAL . 51.9 mt -65.0 -57.96 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 mtpm? -43.19 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -50.31 92.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LYS . . . 114.45 120.0 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.11 -39.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -117.43 169.35 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.4 p -143.42 124.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.27 103.78 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.16 152.3 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -117.82 105.31 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.3 mt -97.68 151.9 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 8' ' ' VAL . 8.6 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' OE1' HD12 ' A' ' 84' ' ' LEU . 13.3 pt20 -127.27 162.93 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -140.81 152.18 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -96.95 107.93 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.24 129.6 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.93 119.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.09 114.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.404 ' CD ' ' H ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -98.04 142.87 29.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.34 25.5 8.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 8.2 p90 -129.71 128.68 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -105.61 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 66' ' ' HIS . 2.4 m -140.64 170.35 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.443 ' CB ' ' NE2' ' A' ' 34' ' ' GLN . 1.7 t -164.69 138.89 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.97 125.87 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.83 -70.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -90.8 -36.6 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.34 96.27 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -83.57 135.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -144.23 148.89 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.66 100.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' NE2' ' CB ' ' A' ' 26' ' ' SER . 2.9 tp60 -58.05 -58.6 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -147.8 164.51 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.6 t -140.11 121.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.5 ttm-85 -49.35 140.57 12.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.9 Cg_endo -69.75 82.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.37 34.43 8.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.63 -106.55 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -35.21 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.24 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 ttm -67.4 -47.2 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.77 -22.3 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.06 -21.64 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.39 42.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.6 t -116.48 140.45 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -140.72 157.57 45.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -48.71 129.53 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 53.53 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -136.78 109.16 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.828 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 14.2 ttp-105 -81.93 132.49 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mt -92.16 138.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.8 mt -110.74 -40.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -132.48 151.76 51.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG22 HD23 ' A' ' 81' ' ' LEU . 47.8 t -147.48 111.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 53.98 31.45 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.34 15.95 65.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.514 HG21 HD11 ' A' ' 72' ' ' LEU . 26.9 m -113.51 134.31 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 ttm -89.44 102.8 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 61' ' ' VAL . 2.7 m -112.64 38.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 p -68.93 -25.34 64.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -33.39 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.65 159.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -73.07 170.03 15.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.581 ' CD2' HG23 ' A' ' 25' ' ' VAL . 2.4 t-80 -66.42 -51.61 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -51.01 -40.16 57.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.04 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.12 -52.49 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 73' ' ' ILE . 77.7 t -41.36 -50.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -46.22 -49.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 59' ' ' THR . 16.8 mt -66.88 -31.84 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 70' ' ' VAL . 61.2 mt -65.18 -45.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 pttm -95.66 58.56 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -121.18 -37.68 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.79 -179.17 16.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.26 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -124.43 174.81 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.28 134.12 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.83 110.32 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 32.8 mt -107.46 133.83 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -98.16 97.28 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 51' ' ' ASP . 3.7 mt -99.85 138.82 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.444 HD12 ' OE1' ' A' ' 9' ' ' GLN . 4.1 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -101.68 160.05 14.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -112.73 141.53 46.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.05 129.86 49.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 81' ' ' LEU . 9.6 p -138.67 149.2 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -140.08 123.09 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 42' ' ' ALA . 24.7 mt -103.7 137.94 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -116.49 135.68 53.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.76 43.04 1.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' HZ ' HD13 ' A' ' 73' ' ' ILE . 5.6 p90 -137.64 138.07 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -122.72 140.94 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 66' ' ' HIS . 26.7 m -124.62 177.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -174.47 152.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.28 135.79 3.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.28 -74.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.894 ' NH2' HD11 ' A' ' 30' ' ' ILE . 2.9 tmm_? -56.93 -49.36 75.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.894 HD11 ' NH2' ' A' ' 29' ' ' ARG . 5.3 mt -121.5 167.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.522 ' H ' HG22 ' A' ' 30' ' ' ILE . 39.8 t -130.14 115.4 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 52' ' ' ARG . 18.6 mt -120.71 154.56 35.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG21 ' CG1' ' A' ' 47' ' ' VAL . 88.0 t -68.95 107.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.78 -53.54 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -153.23 157.23 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.57 121.77 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 14.1 ttp85 -56.3 138.92 74.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.696 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.1 Cg_endo -69.77 99.29 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.43 21.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.61 -113.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -50.67 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 23' ' ' PHE . . . -54.6 -51.01 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.4 tpp -50.9 -48.02 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -50.17 -42.03 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 50.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' CG1' HG21 ' A' ' 33' ' ' VAL . 47.1 t -116.54 126.05 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.63 155.03 48.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.09 133.92 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.64 -27.71 9.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD1' HD13 ' A' ' 83' ' ' LEU . 2.0 m-20 -55.23 138.24 45.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HA ' HD23 ' A' ' 32' ' ' LEU . 20.8 ttm105 -115.49 111.66 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mt -73.06 137.53 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -112.26 -47.28 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -134.11 169.78 16.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.522 HG12 ' ND2' ' A' ' 57' ' ' ASN . 79.1 t -142.91 114.07 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' HG12 ' A' ' 56' ' ' VAL . 19.4 p30 44.66 31.36 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -35.3 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -68.11 123.19 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 ttt -74.64 134.67 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.41 20.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -68.88 120.44 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 63' ' ' ASN . 1.9 t30 71.05 33.51 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -114.44 147.07 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.8 p -61.42 166.86 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.6 t-160 -64.84 -65.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' HIS . 4.8 tp -36.46 -60.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -38.96 -49.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -72.45 -41.39 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -42.42 -48.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -55.84 -44.81 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.672 HG23 HG11 ' A' ' 79' ' ' VAL . 96.4 mt -64.18 -44.32 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -81.27 71.61 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 t -160.39 157.89 28.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.21 -151.53 4.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.49 -32.19 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 2.1 p90 -138.01 157.85 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG11 HG23 ' A' ' 73' ' ' ILE . 3.2 p -131.37 124.77 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.57 134.1 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 12' ' ' VAL . 44.0 mt -129.22 113.79 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -88.54 97.57 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.567 HD13 ' OD1' ' A' ' 51' ' ' ASP . 13.2 mt -90.15 165.07 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.0 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -92.53 142.33 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -122.39 149.18 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.6 120.97 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 81' ' ' LEU . 7.2 p -119.12 139.67 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.42 123.46 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.671 HD11 HG21 ' A' ' 47' ' ' VAL . 71.8 mt -111.64 119.55 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 134.27 41.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.04 39.59 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 24.9 p90 -138.28 132.56 31.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -109.22 153.26 24.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 27.6 m -131.22 158.04 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -148.98 144.75 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.93 154.06 6.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 -51.28 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -106.48 -68.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.815 HD11 ' HG2' ' A' ' 52' ' ' ARG . 1.8 tp -88.6 78.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 99.4 t -44.22 140.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.44 166.49 20.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 51' ' ' ASP . 59.1 t -88.26 109.72 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -65.03 -57.59 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.439 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 4.4 t -154.61 164.78 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.63 HG21 ' HA ' ' A' ' 48' ' ' LYS . 89.8 t -129.53 107.83 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 29.7 ttp180 -34.96 139.84 0.31 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.0 Cg_endo -69.78 88.47 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 43.88 5.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.1 -131.15 6.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 -50.26 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -51.99 -45.4 64.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.1 tpp -53.63 -49.98 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -41.35 -52.26 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -68.5 -32.61 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.77 49.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG21 HD11 ' A' ' 14' ' ' ILE . 57.3 t -114.7 130.76 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.63 ' HA ' HG21 ' A' ' 36' ' ' VAL . 40.2 mtpt -133.45 177.46 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 49.6 mt-10 -61.29 162.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.67 -33.94 3.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB3' HD22 ' A' ' 83' ' ' LEU . 76.0 m-20 -43.89 124.34 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.815 ' HG2' HD11 ' A' ' 30' ' ' ILE . 15.4 ttp180 -97.48 108.06 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.9 125.68 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mm -104.71 -57.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -119.42 155.47 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.93 107.88 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 62.17 30.97 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.99 -33.0 6.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -71.25 151.43 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 75.3 mtp -98.53 102.81 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 m -97.41 34.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -72.04 -34.44 68.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -102.06 -42.71 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -43.9 150.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.4 p -86.41 158.49 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 11.4 t-160 -42.47 -49.01 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -43.09 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.57 -23.11 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' SER . 22.6 t -85.03 -31.84 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 66' ' ' HIS . 96.7 t -57.09 -63.03 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 72' ' ' LEU . 6.4 ptpp? -44.73 -34.74 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 13.7 mt -69.78 -48.55 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.673 HG23 HG11 ' A' ' 79' ' ' VAL . 57.0 mt -61.99 -48.96 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 52.68 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.7 t -108.98 -47.49 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.96 -174.22 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.45 -53.81 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -123.91 176.97 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.673 HG11 HG23 ' A' ' 73' ' ' ILE . 6.3 p -145.82 138.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.55 102.84 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 12' ' ' VAL . 60.2 mt -99.61 122.46 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -96.07 98.1 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.1 mt -86.63 154.93 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.7 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt20 -109.32 144.79 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -121.55 162.12 21.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.36 122.68 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.72 137.52 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.5 130.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.51 122.9 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -101.98 119.74 39.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.1 41.6 1.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 17.6 p90 -136.64 131.97 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.909 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -111.74 135.6 52.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -117.14 168.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -169.42 146.85 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.07 122.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.47 -54.71 42.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -109.57 -54.38 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.2 mm -90.94 82.06 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.79 129.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -138.96 145.64 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.75 113.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.96 -53.67 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -153.07 164.58 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.78 113.15 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -40.15 137.3 1.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.48 45.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.91 -132.63 7.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.06 -37.7 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -59.1 -54.32 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 37.6 ttm -50.03 -53.78 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -45.0 -39.69 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.14 68.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.54 39.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.3 t -98.26 137.64 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -119.11 164.37 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -76.59 144.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.57 37.66 26.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.556 ' CG ' HD22 ' A' ' 83' ' ' LEU . 12.1 t0 -106.46 142.48 36.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 53' ' ' ILE . 32.3 tpt85 -87.04 146.29 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 33.7 mt -123.94 110.17 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -85.26 -52.04 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -115.99 152.11 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG22 HD23 ' A' ' 81' ' ' LEU . 65.8 t -138.03 116.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.64 ' HB2' HG23 ' A' ' 79' ' ' VAL . 23.5 t-20 51.1 39.55 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -119.36 128.47 54.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.2 mmm -75.86 103.56 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.2 m -127.02 104.52 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 p -132.03 -36.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -114.24 36.41 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -116.17 161.46 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 p -85.56 138.97 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . 5.9 t-80 -38.53 -56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' HIS . 1.9 tt -38.17 -45.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -50.47 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.6 t -55.08 -41.17 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.5 t -41.69 -58.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -42.38 -46.52 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 61' ' ' VAL . 36.1 mt -58.13 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.68 -32.09 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -95.49 53.22 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.1 t -151.7 127.52 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.2 -171.49 46.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -32.27 18.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -139.88 164.23 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' HB2' ' A' ' 57' ' ' ASN . 10.1 p -129.06 119.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.45 110.1 18.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 56' ' ' VAL . 5.0 mt -109.43 146.71 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 55.1 m -108.44 96.38 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.556 HD22 ' CG ' ' A' ' 51' ' ' ASP . 17.2 mt -86.05 122.28 29.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.313 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -96.83 136.6 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -110.45 164.39 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.805 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -124.24 112.21 16.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.549 HG12 ' HB2' ' A' ' 80' ' ' ALA . 30.1 mt -114.84 117.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 47' ' ' VAL . 22.9 mt -97.91 132.74 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -121.22 139.65 53.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.28 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.3 144.52 40.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -124.6 171.07 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.199 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' OG1' ' A' ' 24' ' ' THR . 27.2 m -146.3 169.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -173.68 144.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASP . . . 120.48 100.45 1.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' GLY . 2.3 m-20 -34.58 -66.08 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -98.8 151.6 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 30' ' ' ILE . 20.7 mm 51.62 50.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -47.86 139.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.3 mt -134.35 155.46 50.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.87 109.0 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -59.98 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -143.44 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.09 121.22 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -46.53 141.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.33 33.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.41 -142.84 4.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.26 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.97 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.16 -54.61 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -58.26 -28.78 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.96 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.12 37.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 14' ' ' ILE . 50.2 t -111.61 134.97 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -129.65 166.57 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.47 128.19 35.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.22 35.96 3.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -117.37 140.34 49.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HA ' HD23 ' A' ' 32' ' ' LEU . 14.5 ttm180 -98.71 130.76 45.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.61 107.41 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.417 HG23 HG22 ' A' ' 62' ' ' THR . 80.4 mt -81.21 -60.45 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -117.34 155.5 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 79' ' ' VAL . 96.8 t -139.46 106.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 56.08 39.33 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.93 -34.97 4.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.6 m -75.84 113.93 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.737 ' HG2' HG23 ' A' ' 62' ' ' THR . 10.8 ttt -80.59 112.57 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 61' ' ' VAL . 15.0 m -107.63 38.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 60' ' ' MET . 38.4 p -55.51 -44.03 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -129.33 79.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -150.44 172.83 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -81.59 139.51 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' VAL . 3.9 t-160 -47.44 -65.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 9.6 tp -35.41 -55.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.12 -43.92 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' HIS . 87.3 t -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -49.02 -58.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -43.11 -48.06 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.14 -41.59 75.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -70.98 -43.26 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -47.72 -51.59 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.8 t -75.96 107.87 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.75 131.34 3.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.3 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 8.3 p90 -125.06 161.23 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -132.97 125.26 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -83.37 108.25 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.01 138.61 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -102.93 94.91 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.439 HD11 HG22 ' A' ' 47' ' ' VAL . 12.4 mt -95.81 121.94 38.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' C ' HD23 ' A' ' 84' ' ' LEU . 8.1 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.575 ' CA ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -98.1 159.58 14.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -134.81 142.75 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.8 129.88 41.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -141.54 143.08 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.0 135.38 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 47' ' ' VAL . 58.5 mt -108.38 121.14 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -104.98 131.74 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.19 35.55 3.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -132.33 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.0 p -118.41 162.78 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 m -142.76 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -146.59 145.67 30.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.89 123.61 2.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.69 -44.23 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -95.46 -55.95 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.53 107.33 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 69' ' ' VAL . 59.6 t -77.2 131.11 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -142.15 147.71 37.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.08 107.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.4 -48.11 81.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -156.1 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -139.84 123.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 tpp180 -52.38 136.69 41.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.4 Cg_endo -69.81 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.95 38.03 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.43 -150.62 24.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.11 -45.81 25.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -58.37 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.8 tpp -46.59 -52.11 14.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -53.65 -45.4 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -29.35 68.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.19 38.77 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 14' ' ' ILE . 48.3 t -109.3 122.95 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -118.27 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.91 146.71 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.77 -4.74 82.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.2 m-20 -75.27 121.1 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -93.42 130.16 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mt -88.95 133.55 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -105.36 -54.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -123.05 144.97 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG13 HD23 ' A' ' 81' ' ' LEU . 19.7 t -134.43 121.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 43.68 49.75 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.2 30.87 76.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 m -127.55 121.55 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttm -78.9 87.85 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 m -92.52 39.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -79.29 115.03 18.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 68.42 46.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -117.63 -176.58 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 p -88.23 149.93 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -58.27 -58.55 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 tp -37.76 -51.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -56.2 -44.0 79.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 31' ' ' VAL . 73.0 t -56.17 -54.75 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ILE . 97.1 t -45.81 -60.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' VAL . 13.2 tttm -34.73 -39.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.04 -47.52 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 41.5 mt -61.48 -43.36 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -90.49 46.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 t -105.91 -54.45 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.24 -175.36 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.41 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -178.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.427 HG11 HG23 ' A' ' 73' ' ' ILE . 5.8 p -147.86 133.2 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.25 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.498 HD23 HG13 ' A' ' 56' ' ' VAL . 69.8 mt -126.06 136.75 53.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 m -103.59 95.2 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' ASP . 17.6 mt -89.85 139.18 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 9' ' ' GLN . 3.9 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -127.94 149.21 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -127.06 145.69 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.59 136.33 33.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.701 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 p -145.06 126.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.5 mt -97.81 136.36 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 81' ' ' LEU . 52.5 mt -131.61 125.33 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -101.25 150.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 pttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.09 -42.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -78.7 141.63 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 p -113.3 164.57 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' CD2' ' A' ' 66' ' ' HIS . 5.3 m -147.67 168.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -169.94 142.74 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.98 140.08 4.03 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.84 -71.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -71.14 -75.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -89.97 132.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 69' ' ' VAL . 77.2 t -100.93 124.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 51' ' ' ASP . 12.0 mt -123.12 147.62 46.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.77 115.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.35 -48.47 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.0 m -154.76 162.02 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' ARG . 69.9 t -129.48 112.35 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 11.1 tpp180 -36.77 136.69 0.58 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.8 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.42 29.25 33.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.5 -127.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 15' ' ' GLN . . . -99.72 -39.79 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.45 61.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 tpp -51.32 -48.03 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -53.14 -43.49 67.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -61.08 -31.16 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.08 39.75 1.93 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 83' ' ' LEU . 84.7 t -107.13 144.01 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -134.22 172.79 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.21 148.26 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.67 31.64 15.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' HB3' HD22 ' A' ' 83' ' ' LEU . 10.1 m-20 -114.48 110.07 19.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 15.8 ttm105 -84.45 105.54 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 81' ' ' LEU . 70.4 mt -70.39 132.42 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -97.01 -50.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.03 155.97 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.007 HG12 ' OD1' ' A' ' 57' ' ' ASN . 91.2 t -137.75 106.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 1.007 ' OD1' HG12 ' A' ' 56' ' ' VAL . 4.4 p-10 45.07 39.36 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.64 -33.6 5.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -79.8 116.01 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 mtp -76.62 121.81 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' VAL . 8.7 m -110.67 34.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -65.99 -30.43 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -121.11 -35.14 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 m -43.78 161.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.3 p -89.14 165.01 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.667 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.5 t-80 -59.77 -46.06 90.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mt -50.09 -43.43 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.25 -35.9 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 31' ' ' VAL . 99.2 t -63.27 -39.33 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 85.4 t -57.57 -65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -38.31 -46.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 69' ' ' VAL . 11.4 mt -64.19 -42.96 96.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 69' ' ' VAL . 48.1 mt -62.63 -65.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -42.68 -72.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -47.64 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.95 126.84 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.22 -48.66 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -134.85 176.15 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 57' ' ' ASN . 10.1 p -147.98 125.23 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 110.03 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -105.73 142.23 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 9' ' ' GLN . 43.9 m -111.84 97.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' ASP . 14.8 mt -83.97 139.95 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -104.3 164.03 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 82' ' ' THR . 57.9 mtm180 -142.04 175.39 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -123.29 118.08 26.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.01 139.99 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -112.53 134.75 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 47' ' ' VAL . 58.7 mt -129.07 133.88 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -114.93 153.04 31.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 pttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.28 41.15 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 p90 -137.83 153.57 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -125.79 164.93 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 66' ' ' HIS . 4.1 m -148.78 158.39 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -92.56 -6.61 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.5 18.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.438 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ARG . 2.1 m-20 -78.21 -174.78 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 18.1 ttp-105 -33.52 -64.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.9 tp -102.01 76.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' ILE . 33.9 t -32.88 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 51' ' ' ASP . 6.5 mt -119.89 149.58 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.48 106.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -62.88 -58.76 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -141.99 168.15 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 43' ' ' MET . 25.3 t -145.3 109.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -44.48 142.9 2.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.78 16.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.31 27.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.22 -153.61 7.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.55 -32.06 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 14' ' ' ILE . . . -72.76 -53.1 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.45 ' HB2' HG12 ' A' ' 36' ' ' VAL . 54.3 tpp -46.02 -47.56 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -58.17 -47.32 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.88 -23.77 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.29 37.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 14' ' ' ILE . 5.6 t -105.22 151.39 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 166.96 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.11 125.24 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . 122.57 -32.57 4.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.9 m-20 -41.55 128.09 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.77 HH21 HD21 ' A' ' 84' ' ' LEU . 23.6 ttp180 -101.4 110.02 21.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 83' ' ' LEU . 41.1 mt -83.85 121.15 36.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.853 HD11 HD23 ' A' ' 84' ' ' LEU . 2.6 mt -108.32 -49.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -117.36 158.33 24.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 95.1 t -148.52 106.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 62.8 41.61 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.97 -9.08 26.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -101.66 121.76 42.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 ttm -71.22 130.74 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.8 36.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.4 ' C ' ' CG ' ' A' ' 63' ' ' ASN . 65.1 p -73.4 148.97 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 62' ' ' THR . 0.7 OUTLIER 45.28 43.13 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.0 m -114.35 -175.0 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -102.03 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.707 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 t-160 -80.47 -37.04 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.58 -51.18 61.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.02 -68.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.72 HG12 ' CD1' ' A' ' 73' ' ' ILE . 94.2 t -40.07 -58.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' HIS . 72.1 t -40.24 -64.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -40.45 -45.85 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.99 -38.67 76.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.72 ' CD1' HG12 ' A' ' 69' ' ' VAL . 74.1 mt -60.4 -34.66 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.21 60.66 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -125.83 121.98 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.86 -124.06 23.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.3 -24.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -136.95 175.22 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.12 124.74 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.87 102.82 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.71 HD23 HG22 ' A' ' 56' ' ' VAL . 5.6 mt -106.93 138.18 43.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 10' ' ' ARG . 87.6 m -93.22 100.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 51' ' ' ASP . 37.5 mt -105.59 130.54 53.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 54' ' ' ILE . 2.0 pp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.5 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -113.13 151.83 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -120.01 146.02 46.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -89.42 111.02 21.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -112.64 152.75 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.2 mt -140.54 135.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 18.0 mt -123.99 136.47 60.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -123.97 140.19 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 73' ' ' ILE . 22.8 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.47 10.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -80.79 154.08 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -142.63 144.68 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 66' ' ' HIS . 18.8 m -115.54 144.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -130.58 8.47 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.04 117.32 4.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.85 -70.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -71.79 -42.79 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.04 100.32 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 69' ' ' VAL . 92.9 t -54.78 118.65 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.4 mt -134.74 135.75 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 36' ' ' VAL . 85.6 t -58.24 102.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.54 -54.41 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -148.01 155.58 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' A' ' 33' ' ' VAL . 98.9 t -132.89 120.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.488 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 17.5 tpp180 -44.43 136.29 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.76 -0.65 7.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.59 48.94 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.69 -165.16 14.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.65 -50.31 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.25 -61.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.2 ttm -45.59 -51.26 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -54.9 -42.37 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.08 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.1 37.35 1.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 83' ' ' LEU . 85.2 t -109.29 117.85 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -115.86 161.88 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.41 151.08 17.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.32 -20.15 35.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' CG ' HD22 ' A' ' 83' ' ' LEU . 7.0 t0 -59.61 135.1 57.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.752 0.311 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . 8.8 ttp-105 -108.21 136.78 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.15 131.75 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.93 -51.15 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -128.93 156.86 43.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 81' ' ' LEU . 72.0 t -142.86 107.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 79' ' ' VAL . 32.5 m120 57.89 32.12 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.59 -11.34 71.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 m -98.05 110.55 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.96 135.85 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.7 24.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -55.91 -44.01 77.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -127.43 51.19 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -116.36 152.06 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.1 p -82.53 132.98 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 25' ' ' VAL . 9.2 t-160 -39.82 -52.81 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.69 -59.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.89 -41.27 86.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HA ' HD12 ' A' ' 72' ' ' LEU . 95.4 t -54.39 -44.59 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.45 -55.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.68 -42.13 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 69' ' ' VAL . 28.4 mt -57.44 -46.32 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.443 HG22 ' CE2' ' A' ' 21' ' ' PHE . 27.9 mt -67.79 -17.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -94.81 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -116.77 92.52 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.48 -123.41 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.55 -40.93 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 6.4 p90 -117.49 -178.67 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 57' ' ' ASN . 14.5 p -145.93 134.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.7 114.51 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 56' ' ' VAL . 3.8 mt -111.44 153.5 26.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -112.34 96.95 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 51' ' ' ASP . 12.4 mt -86.39 150.01 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -88.47 151.43 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -124.36 173.74 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -117.06 120.53 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 83' ' ' LEU . 8.3 p -131.42 140.82 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -128.44 137.99 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mt -118.59 127.15 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -103.97 118.26 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 3.0 pptp? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 32.5 m-85 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.42 34.81 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.5 p90 -134.2 145.85 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -129.87 138.51 50.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 33' ' ' VAL . 3.7 m -116.92 173.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -165.76 145.62 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.4 121.22 2.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.2 -56.33 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.99 -38.89 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.91 78.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.5 129.66 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 51' ' ' ASP . 41.1 mt -141.64 143.67 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' HA ' HG12 ' A' ' 25' ' ' VAL . 98.9 t -66.61 116.39 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -53.17 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.424 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 51.9 m -160.29 155.92 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.2 t -128.35 139.36 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -68.19 134.39 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -1.27 8.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.647 2.231 . . . . 0.0 112.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.08 44.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.35 -137.94 7.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.93 -33.9 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -62.62 -45.6 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.6 tpp -59.13 -46.2 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -51.87 -46.53 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -28.99 68.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.97 47.64 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.76 137.01 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -135.85 167.21 21.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 36.3 mt-10 -59.48 146.93 38.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.23 34.69 9.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.64 ' CG ' HD22 ' A' ' 83' ' ' LEU . 6.1 t0 -120.03 144.38 47.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.96 156.72 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mt -125.19 125.81 69.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.84 -46.91 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 149.08 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.496 HG22 HD23 ' A' ' 81' ' ' LEU . 56.0 t -137.06 117.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.65 41.9 18.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.88 75.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -121.57 109.34 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.51 110.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG11 HG22 ' A' ' 69' ' ' VAL . 27.1 m -117.06 22.06 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 p -55.81 -26.71 47.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.5 t30 -110.33 -51.32 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' ASN . 74.3 m -37.1 154.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 t -82.05 160.55 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CD2' HG23 ' A' ' 25' ' ' VAL . 4.4 t-80 -57.79 -61.67 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -38.0 -36.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.24 -61.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 61' ' ' VAL . 56.6 t -40.47 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 74' ' ' LYS . 84.0 t -47.06 -53.79 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 72' ' ' LEU . 19.1 pttm -39.13 -46.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 71' ' ' LYS . 5.7 mt -65.75 -56.97 9.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 mt -43.84 -51.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 70' ' ' VAL . 9.3 ptpt -78.98 60.83 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -145.87 143.63 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.19 -148.88 45.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.7 -33.95 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 158.55 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.8 p -130.99 120.23 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.85 132.4 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 56' ' ' VAL . 5.8 mt -126.23 138.24 53.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -97.98 95.26 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.64 HD22 ' CG ' ' A' ' 51' ' ' ASP . 25.0 mt -86.88 144.33 27.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -99.91 154.6 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 14.8 ttm105 -135.87 144.22 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -101.43 131.56 47.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.09 130.62 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -109.88 127.89 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 21.3 mt -107.13 130.75 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' LYS . 12.9 pt20 -110.67 124.74 52.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLN . 13.8 ptpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HE2' HG22 ' A' ' 73' ' ' ILE . 31.4 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.95 6.99 7.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CB ' HG22 ' A' ' 36' ' ' VAL . 23.5 p90 -109.52 166.19 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -142.53 172.22 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.32 158.82 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -85.93 -0.57 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.11 90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ARG . 1.4 p-10 -161.45 -176.98 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' ASP . 38.2 mtt180 -34.97 -40.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 mm -127.36 69.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ILE . 20.4 t -35.22 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.5 mt -108.91 144.73 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -57.56 108.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.41 -59.78 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -150.94 167.18 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 43' ' ' MET . 38.1 t -144.4 154.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 13.0 tpp180 -80.48 136.21 52.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.81 90.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.78 26.71 8.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.432 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.68 -151.64 26.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -41.93 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.092 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.24 96.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 7.4 mmm -64.47 -57.59 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -50.65 -21.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.07 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 43.45 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.9 t -122.63 129.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -139.09 166.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.52 146.31 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.05 37.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 146.72 53.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -116.62 133.92 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.494 HG21 HD22 ' A' ' 81' ' ' LEU . 21.1 mt -101.72 114.61 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.88 -45.73 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -117.39 149.07 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.3 t -141.33 116.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.82 30.64 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.67 -18.42 52.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.7 m -100.49 131.63 46.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 ptm -74.61 128.6 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.8 m -106.26 7.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.1 p -54.55 146.1 17.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.6 47.91 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t -129.68 157.79 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.729 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.2 m -77.81 -179.02 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 67' ' ' LEU . 1.5 t60 -69.51 -70.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' HIS . 7.7 tp -35.63 -58.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -42.82 -45.63 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' SER . 13.4 t -74.08 -42.92 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.0 t -48.48 -50.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -59.45 -39.79 84.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.21 -27.17 66.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.42 HG22 ' HE2' ' A' ' 21' ' ' PHE . 49.2 mt -77.7 -57.32 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -84.06 62.81 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 t -112.78 -39.84 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.66 -153.85 7.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.64 -20.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 1.1 p90 -153.19 -176.23 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 79' ' ' VAL . 7.7 p -152.19 120.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 121.35 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG21 ' A' ' 53' ' ' ILE . 41.8 mt -113.62 158.25 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 83' ' ' LEU . 93.2 m -118.99 106.69 12.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.712 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -98.86 118.64 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.802 0.334 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.4 164.3 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -134.39 129.91 36.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.79 110.28 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 p -109.03 138.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.58 118.19 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 14.7 mt -104.84 131.44 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 8.2 pt20 -102.45 123.48 46.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.51 50.76 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -135.16 139.86 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -118.96 161.53 20.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.39 162.71 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 28' ' ' ASP . 8.4 t -87.94 -7.51 57.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.64 20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ARG . 9.9 m-20 -84.27 -175.07 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' ASP . 15.5 ttm-85 -34.44 -47.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.571 HG22 ' HG ' ' A' ' 32' ' ' LEU . 28.9 mm -117.93 87.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.43 107.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HG ' HG22 ' A' ' 30' ' ' ILE . 16.1 mt -129.22 136.56 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.546 HG21 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -58.35 116.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.93 -43.48 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -148.32 158.16 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 42' ' ' ALA . 58.8 t -135.08 113.22 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -38.22 134.61 0.9 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 99.58 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.54 -107.64 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.93 -52.49 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -52.07 -44.5 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 ttm -62.45 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -44.15 -48.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -61.48 -31.66 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 40.68 0.88 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 14' ' ' ILE . 84.2 t -108.72 130.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 7.4 mptt -108.03 -175.92 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -95.5 105.16 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.59 28.5 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -102.48 154.28 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -110.01 129.68 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 56' ' ' VAL . 22.1 mt -101.71 111.93 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 84' ' ' LEU . 10.2 mt -83.5 -56.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -115.82 155.08 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 53' ' ' ILE . 90.8 t -146.34 114.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 53.95 30.17 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.98 29.11 35.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m -127.28 111.72 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.2 mtp -59.15 104.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 61' ' ' VAL . 20.2 m -131.83 104.03 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.3 -33.64 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -129.74 50.58 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -114.8 163.38 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -81.48 152.42 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' LEU . 2.4 t60 -40.56 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -35.81 -66.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -39.24 -38.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' HIS . 59.7 t -79.44 -33.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' LEU . 90.5 t -51.97 -53.4 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -40.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.416 ' CD1' HG11 ' A' ' 61' ' ' VAL . 18.8 mt -71.13 -46.59 61.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.5 -47.94 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -84.56 53.57 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -154.12 109.27 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.07 144.55 14.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.76 -27.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -146.61 -179.68 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.15 112.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.97 102.73 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.67 141.19 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -111.57 94.96 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.34 137.01 32.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.758 0.313 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.544 ' HB3' HG22 ' A' ' 82' ' ' THR . 10.5 mt-30 -108.87 161.18 15.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 46' ' ' GLY . 7.6 ptm180 -124.77 120.69 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -86.17 124.59 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 p -134.0 124.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.651 HG12 ' HB2' ' A' ' 80' ' ' ALA . 74.3 mt -102.09 124.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.516 HD11 HG21 ' A' ' 47' ' ' VAL . 18.2 mt -108.28 131.62 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.23 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 pttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.82 43.13 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -137.68 132.56 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -106.94 144.51 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 33' ' ' VAL . 16.9 m -133.78 135.86 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.3 p -82.21 110.22 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.47 125.15 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.8 t0 -175.07 -179.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' ASP . 2.9 tpt180 -34.19 -43.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -130.29 79.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 69' ' ' VAL . 24.8 t -33.19 128.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD21 ' HG3' ' A' ' 52' ' ' ARG . 9.6 mt -128.97 160.92 31.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.775 ' HA ' HG12 ' A' ' 25' ' ' VAL . 75.4 t -89.32 113.22 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -155.37 169.79 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' A' ' 42' ' ' ALA . 97.4 t -132.17 109.24 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 52.9 ttm-85 -36.61 139.56 0.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 90.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.65 37.11 7.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 -124.41 3.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.83 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.641 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -61.19 -50.2 74.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.7 ttm -54.04 -48.01 71.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -55.37 -46.44 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.695 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -62.61 -28.92 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' NH2' ' A' ' 10' ' ' ARG . . . 111.81 42.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 14' ' ' ILE . 87.4 t -106.1 143.55 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -134.95 160.25 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -73.32 141.98 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.48 39.71 5.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.452 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.2 m-20 -133.23 133.12 42.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.1 mtt180 -93.61 144.78 25.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG21 HG22 ' A' ' 56' ' ' VAL . 17.8 mt -111.66 126.3 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mm -99.17 -32.99 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -126.44 153.34 45.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.865 HG12 ' OD1' ' A' ' 57' ' ' ASN . 45.5 t -150.46 120.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.865 ' OD1' HG12 ' A' ' 56' ' ' VAL . 8.8 p-10 42.3 46.04 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.475 ' CA ' ' HD3' ' A' ' 55' ' ' LYS . . . 82.28 -28.55 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' VAL . 56.5 m -92.43 128.24 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 mtm -77.88 143.14 38.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 69' ' ' VAL . 27.2 m -122.01 36.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -70.78 140.59 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 44.44 41.37 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 p -118.71 178.07 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 69' ' ' VAL . 59.2 m -110.05 171.96 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.9 t60 -62.14 -37.83 86.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.52 -58.58 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.13 -59.54 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 65' ' ' SER . 42.7 t -41.14 -37.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 66' ' ' HIS . 49.8 t -65.05 -67.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' VAL . 7.4 tttm -36.66 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' VAL . 43.9 mt -75.13 -44.61 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' VAL . 95.2 mt -64.15 -54.02 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -41.44 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 m -42.04 103.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.88 145.07 7.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.95 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -148.36 169.64 19.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.775 HG23 ' HB3' ' A' ' 57' ' ' ASN . 14.5 p -140.15 141.44 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -99.36 115.51 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.45 HD23 HG13 ' A' ' 56' ' ' VAL . 9.6 mt -106.01 136.68 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.544 HG22 ' HB3' ' A' ' 9' ' ' GLN . 84.9 m -106.65 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 83' ' ' LEU . 4.9 mt -83.0 132.07 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.469 HD12 ' C ' ' A' ' 84' ' ' LEU . 1.3 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -125.02 138.26 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -116.59 141.26 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.62 131.49 38.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 47' ' ' VAL . 13.5 p -132.14 139.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.21 126.22 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 45' ' ' ALA . 28.4 mt -108.66 124.87 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' LYS . 1.4 pt20 -114.34 127.67 55.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.2 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' HG22 ' A' ' 73' ' ' ILE . 25.0 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.48 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 25.9 p90 -136.84 125.41 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 p -108.65 137.87 45.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.463 ' HB ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.55 173.25 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 p -168.21 132.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.87 141.14 3.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.18 -75.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 30' ' ' ILE . 57.3 ttp180 -62.7 -73.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -95.99 138.34 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 69' ' ' VAL . 61.8 t -102.28 112.64 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 51' ' ' ASP . 7.8 mt -109.7 148.02 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.86 118.06 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -76.76 -51.35 11.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -152.83 150.61 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' ARG . 87.2 t -124.54 105.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 18.8 tpp180 -36.06 135.97 0.52 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -69.74 82.48 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.75 46.02 2.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.08 -129.46 6.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.79 -30.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . . . -76.57 -34.46 58.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.8 ttm -68.44 -43.36 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -72.81 -29.09 62.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -64.87 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.66 25.74 2.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 83' ' ' LEU . 61.0 t -113.27 134.53 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 -178.05 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.9 152.52 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.81 34.09 71.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.552 ' OD2' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -104.84 108.2 19.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -85.4 119.91 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.42 137.84 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.23 -48.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.47 155.95 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.65 103.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER 48.9 29.12 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.68 -43.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -70.56 107.58 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.4 ttm -71.69 108.25 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' THR . 33.5 m -96.69 21.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -36.63 -44.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 11.5 p-10 -132.17 73.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -141.77 140.42 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -62.22 156.94 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 70' ' ' VAL . 20.6 t-160 -47.88 -59.02 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.0 mt -39.9 -57.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.5 -37.85 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 31' ' ' VAL . 46.5 t -78.44 -35.2 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 66' ' ' HIS . 93.2 t -59.51 -48.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -60.67 -39.54 88.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.62 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.751 HG23 HG11 ' A' ' 79' ' ' VAL . 39.8 mt -70.97 -50.47 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.5 -50.6 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -56.96 123.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.24 153.4 27.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.28 91.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.13 -176.25 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.751 HG11 HG23 ' A' ' 73' ' ' ILE . 4.6 p -154.99 133.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . . . -92.85 127.44 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -125.9 137.49 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 m -99.41 106.85 18.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.552 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.3 mt -99.39 138.43 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.44 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -113.35 152.16 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -100.41 103.68 15.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.85 141.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 80' ' ' ALA . 10.0 mm -119.71 138.3 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.5 mt -135.91 146.31 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.4 pm0 -121.57 150.45 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 pttp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE1' HG12 ' A' ' 79' ' ' VAL . 42.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.26 -51.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.547 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.421 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.2 p90 -81.2 132.13 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -118.97 150.71 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG23 ' ND1' ' A' ' 66' ' ' HIS . 29.0 m -122.68 144.85 30.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -130.39 3.89 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.8 118.02 5.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.69 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -42.97 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mm -121.62 91.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 69' ' ' VAL . 77.1 t -47.09 112.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' ASP . 12.8 mt -128.28 148.38 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.22 114.25 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -86.33 -44.24 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -146.16 153.9 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -136.6 123.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' CD ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -55.56 133.56 71.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.61 2.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.466 ' H ' ' CD ' ' A' ' 37' ' ' ARG . . . -162.07 39.09 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.66 -150.8 23.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -94.88 -36.54 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -61.77 -53.78 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.9 tpp -44.51 -53.04 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.95 -37.05 42.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.51 65.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.81 24.37 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -89.86 126.18 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -123.7 167.83 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.96 123.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.87 -0.92 15.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.6 m-20 -81.52 132.06 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -102.89 140.37 37.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 81' ' ' LEU . 13.2 mt -109.45 122.63 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.45 -46.2 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -116.77 142.35 47.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.866 HG22 HD23 ' A' ' 81' ' ' LEU . 67.6 t -139.95 106.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m120 62.93 33.14 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.11 -23.75 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -95.93 116.91 29.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptm -66.27 136.11 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.437 ' HB ' HG22 ' A' ' 69' ' ' VAL . 19.0 m -113.62 9.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -49.26 133.33 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 55.52 48.16 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -129.32 142.87 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' HIS . 26.5 p -62.34 135.36 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 25' ' ' VAL . 2.7 t60 -37.09 -49.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -50.08 -61.01 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -43.63 -40.81 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 31' ' ' VAL . 38.8 t -63.68 -53.48 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -38.81 -50.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -41.45 -42.78 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.43 -39.79 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.91 -68.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -39.91 -52.37 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -44.92 102.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 164.06 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.76 -52.44 56.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -105.85 172.16 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.402 HG12 ' CE1' ' A' ' 21' ' ' PHE . 2.2 p -138.34 124.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -81.56 137.05 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.045 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.866 HD23 HG22 ' A' ' 56' ' ' VAL . 20.4 mt -135.62 156.09 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -128.61 101.92 6.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -93.89 147.7 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.0 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.99 159.16 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -126.81 144.72 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -96.51 129.44 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.87 137.67 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.57 119.94 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 47' ' ' VAL . 32.2 mt -103.56 109.65 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -98.89 117.77 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.21 37.53 2.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -138.27 131.07 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLN . 52.6 p -108.02 142.01 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.5 m -125.04 175.03 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -168.76 155.13 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.79 135.61 4.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -75.35 -70.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -66.11 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.687 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -97.62 138.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 HD12 ' A' ' 53' ' ' ILE . 93.6 t -102.68 133.89 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -129.52 156.32 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 25' ' ' VAL . 60.3 t -78.6 104.65 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 54.7 tp60 -61.16 -62.19 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -139.1 165.2 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 t -139.51 110.76 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' VAL . 21.1 tpp180 -37.9 135.04 0.82 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.72 44.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.98 -130.95 6.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.91 -56.75 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.82 -46.06 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.7 tpp -62.6 -48.54 78.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -53.55 -29.08 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.02 -21.9 36.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.28 47.55 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 48' ' ' LYS . 97.3 t -102.07 160.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.37 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 47' ' ' VAL . 18.6 mmmt -147.41 168.15 22.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -81.89 136.74 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.62 17.62 25.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.746 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -95.73 112.11 23.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 32' ' ' LEU . 21.5 ttp85 -80.36 114.29 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 31' ' ' VAL . 16.3 mt -76.37 131.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.06 -46.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 13.0 ttmm -124.14 157.91 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.5 HG12 ' OD1' ' A' ' 57' ' ' ASN . 54.2 t -139.85 105.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' OD1' HG12 ' A' ' 56' ' ' VAL . 0.4 OUTLIER 45.72 37.53 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.54 6.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -76.41 115.45 16.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.167 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 mmm -79.17 110.44 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.61 21.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -57.7 -19.15 25.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.23 -33.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m -51.98 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.82 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.4 t -119.56 170.09 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -47.82 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -45.72 -50.38 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.09 -25.65 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 65' ' ' SER . 24.5 t -84.9 -44.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.71 -45.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -61.87 -35.84 79.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 69' ' ' VAL . 9.8 mt -71.65 -45.28 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.746 HG23 HG11 ' A' ' 79' ' ' VAL . 95.8 mt -63.17 -45.75 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 38.8 mtpt -65.53 -71.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.2 t -37.48 107.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' TYR . . . 111.57 123.56 4.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -35.67 -34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLY . 1.5 p90 -138.29 178.23 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 73' ' ' ILE . 8.1 p -149.32 136.41 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.55 123.44 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.11 138.96 52.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -104.33 99.93 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 51' ' ' ASP . 10.0 mt -87.88 127.27 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -69.68 159.19 33.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 p -113.52 106.64 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.22 128.7 2.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -40.9 109.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -69.35 107.44 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.8 -165.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.4 p -111.59 124.29 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.7 142.86 50.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -118.98 161.0 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.28 123.49 47.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.01 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.1 134.19 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.519 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 8.1 mt -117.49 128.51 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -105.75 118.46 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -41.62 121.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.92 -43.99 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -112.37 61.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 49.35 49.54 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.19 167.81 11.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -76.69 -175.17 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.97 31.57 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.441 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.0 p90 -137.68 153.67 49.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -141.12 146.11 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 33' ' ' VAL . 29.5 m -123.17 178.26 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -171.0 129.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.8 142.1 3.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.89 -70.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -80.55 -65.78 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -89.86 128.55 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG1' HD12 ' A' ' 53' ' ' ILE . 86.2 t -106.61 124.22 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' ARG . 13.9 mt -132.22 145.02 51.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' HA ' HG12 ' A' ' 25' ' ' VAL . 43.8 t -58.67 109.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -70.16 -58.23 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -131.16 167.43 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -145.69 122.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -48.24 145.75 5.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.33 8.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.55 27.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.62 173.13 50.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' CG2' ' A' ' 14' ' ' ILE . . . -52.83 -26.49 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -74.45 -49.55 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.9 tpp -57.77 -43.32 85.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -14.73 61.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.66 -31.28 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.057 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.16 33.79 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.542 ' CG1' HG21 ' A' ' 33' ' ' VAL . 98.4 t -102.24 110.95 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -107.44 161.28 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.92 121.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.26 40.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.06 108.16 13.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.564 ' CA ' HD23 ' A' ' 32' ' ' LEU . 12.2 ttp180 -73.69 129.55 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.491 HD12 ' CG1' ' A' ' 31' ' ' VAL . 23.5 mt -83.5 127.16 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.6 -53.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -124.27 141.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 HD23 ' A' ' 81' ' ' LEU . 58.4 t -134.64 102.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 55.38 44.3 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.21 13.76 81.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.55 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -121.74 103.36 8.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 mtp -61.62 119.46 8.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.88 26.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -57.39 -28.54 63.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 -33.8 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -39.08 158.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . 20.0 m -92.83 153.58 18.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' VAL . 19.8 t-160 -37.35 -65.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 16.5 mt -34.95 -59.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -51.06 -41.74 60.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 31' ' ' VAL . 25.4 t -66.6 -44.57 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -52.77 -63.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.25 -40.51 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 69' ' ' VAL . 51.2 mt -58.71 -41.66 86.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.47 -22.21 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.52 19.51 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -115.96 106.38 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.29 149.41 24.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.43 -54.26 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 3.9 p90 -107.42 179.75 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 79' ' ' VAL . 7.5 p -150.78 118.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.52 107.4 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 56' ' ' VAL . 22.1 mt -109.17 132.64 53.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -102.63 98.39 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.96 150.16 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt -120.07 126.06 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.46 126.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.3 p -114.33 168.63 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -78.75 156.44 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 p -159.16 119.69 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.36 163.36 33.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.39 35.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.9 p -96.18 145.59 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -52.15 -23.21 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 24.5 m 37.62 42.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -88.29 155.42 19.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.88 94.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -72.56 -47.84 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -134.7 129.87 35.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 120.06 2.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 84' ' ' LEU . 14.5 p -119.48 133.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -103.35 133.32 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -107.88 157.27 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -114.37 107.5 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -103.33 157.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' N ' HG22 ' A' ' 12' ' ' VAL . 87.4 mt -133.93 127.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.548 HD11 HG21 ' A' ' 47' ' ' VAL . 70.0 mt -119.97 120.16 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.44 133.08 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 pttp -62.29 120.07 10.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.87 179.32 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.72 -30.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -87.62 -32.01 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' PHE . . . 98.85 158.61 29.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 59.3 m-85 -35.97 151.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.36 36.28 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.1 p90 -136.29 136.57 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 p -118.32 149.53 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.1 m -128.03 176.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -172.42 141.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.29 140.01 3.2 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.88 -48.6 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -110.7 -55.52 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 30' ' ' ILE . 37.3 mm -97.13 86.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -66.51 138.24 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 52' ' ' ARG . 16.2 mt -142.88 161.18 38.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 25' ' ' VAL . 85.5 t -75.67 115.23 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -69.95 -58.4 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -145.54 172.75 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -145.74 122.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -50.76 143.37 14.89 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -4.91 15.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.17 38.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.46 -129.5 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -17.73 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -79.98 -44.62 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.28 -47.75 84.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -57.12 -29.17 63.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.81 58.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.38 41.06 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.548 HG21 HD11 ' A' ' 14' ' ' ILE . 65.3 t -108.72 143.76 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -125.58 166.42 16.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.82 121.34 26.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.7 21.7 6.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.58 ' OD2' HD13 ' A' ' 83' ' ' LEU . 10.0 t0 -100.58 136.16 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.836 ' HA ' HD23 ' A' ' 32' ' ' LEU . 19.5 ttm180 -90.4 143.64 26.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 mt -109.86 124.82 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -90.28 -51.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -127.13 149.7 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 79' ' ' VAL . 27.4 t -132.9 118.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 54.16 39.84 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.67 24.95 76.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 m -125.74 128.56 47.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.1 tpt -67.78 116.03 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 61' ' ' VAL . 25.2 m -132.6 47.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -81.95 -34.0 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -128.59 50.78 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 p -123.09 154.66 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -69.07 139.74 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.513 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.1 t-160 -42.99 -44.27 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.775 ' H ' HD12 ' A' ' 67' ' ' LEU . 5.0 mp -53.09 -60.68 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.36 -45.51 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 72' ' ' LEU . 92.2 t -64.84 -45.5 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 66' ' ' HIS . 55.0 t -45.77 -55.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -47.95 -36.75 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 69' ' ' VAL . 33.4 mt -65.6 -44.45 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 79' ' ' VAL . 41.2 mt -68.32 -48.01 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HD2' HG12 ' A' ' 70' ' ' VAL . 27.1 mttm -47.29 -63.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.9 p -73.8 123.68 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' ALA . . . 115.21 112.79 2.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -36.17 -47.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -128.45 157.78 40.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG2' HG13 ' A' ' 56' ' ' VAL . 5.5 p -125.26 119.85 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.47 106.67 11.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.42 141.12 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 95.81 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' OD2' ' A' ' 51' ' ' ASP . 6.4 mt -90.34 141.92 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 8' ' ' VAL . 37.9 tp -122.3 135.52 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.77 148.75 38.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 p -43.97 155.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.824 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 52.6 m -94.7 165.15 12.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 39.6 t -36.05 123.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.44 83.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 95.3 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.8 p -150.26 145.1 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -96.39 133.82 40.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -113.52 117.91 32.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -118.78 129.37 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.14 65.81 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -45.78 111.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -102.55 103.72 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.68 -157.66 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 8' ' ' VAL . 14.8 p -123.62 128.12 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.772 ' OE1' HG21 ' A' ' 82' ' ' THR . 10.0 pt20 -81.16 143.74 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -116.6 169.48 9.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.29 130.65 56.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -133.78 136.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.68 127.0 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.589 HD11 HG21 ' A' ' 47' ' ' VAL . 27.3 mt -120.77 132.68 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LYS . 28.5 pt20 -113.54 123.44 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' GLN . 32.2 pttt -35.46 148.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -127.42 -43.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -131.82 84.2 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 40.11 40.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.73 161.13 11.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -75.1 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.01 -49.91 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 36' ' ' VAL . 8.1 p90 -84.03 139.35 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 p -116.65 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 66' ' ' HIS . 30.1 m -129.07 145.84 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 t -143.16 144.02 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.76 164.16 12.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -107.1 -48.78 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -110.91 -48.66 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.0 mm -106.78 93.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.2 t -68.98 137.62 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 51' ' ' ASP . 22.0 mt -142.98 151.82 41.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.91 103.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.17 -62.18 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -147.46 159.86 43.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 23' ' ' PHE . 97.2 t -137.8 109.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 31.6 ttm-85 -36.72 142.05 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.76 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.48 4.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.43 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.47 -107.87 3.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.57 -48.12 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.601 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -58.41 -51.66 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 tpp -50.02 -54.7 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -43.11 -52.42 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' HG23 ' A' ' 12' ' ' VAL . . . -63.18 -28.98 70.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.6 41.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' ' HB1' ' A' ' 42' ' ' ALA . 24.5 t -109.71 141.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -150.08 178.32 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.48 148.63 49.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.26 -24.43 32.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.628 ' O ' HD23 ' A' ' 32' ' ' LEU . 17.6 m-20 -63.78 148.22 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.813 0.34 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 19.5 ttm105 -115.8 135.21 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.73 130.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -105.42 -54.78 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -118.22 158.42 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 81' ' ' LEU . 58.9 t -150.52 110.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.78 32.67 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.73 -34.82 4.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.9 m -71.41 117.61 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -76.46 88.78 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' VAL . 28.1 m -94.38 97.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 p -121.26 -37.44 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -118.64 65.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 m -145.26 179.85 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.5 m -95.15 162.84 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.661 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 t-160 -64.28 -57.54 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.7 tt -36.57 -43.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.61 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 65' ' ' SER . 39.8 t -49.41 -29.04 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 66' ' ' HIS . 91.4 t -60.83 -62.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -47.1 -45.09 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.51 -35.25 52.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.482 HG12 HG21 ' A' ' 79' ' ' VAL . 50.8 mt -79.8 -44.03 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -42.2 -48.74 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -71.67 118.94 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.63 4.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.52 -58.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -105.16 176.46 5.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.482 HG21 HG12 ' A' ' 73' ' ' ILE . 11.9 p -146.42 138.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.555 HD11 ' HZ ' ' A' ' 23' ' ' PHE . 71.3 mt -108.08 147.4 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' OE1' ' A' ' 9' ' ' GLN . 92.8 m -112.44 101.36 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 51' ' ' ASP . 11.1 mt -102.29 134.78 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD23 ' N ' ' A' ' 85' ' ' GLY . 5.8 tt -115.38 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.646 ' N ' HD23 ' A' ' 84' ' ' LEU . . . 81.76 105.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.6 p -108.89 125.46 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -53.23 144.32 16.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -76.12 -57.35 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.37 -83.48 0.36 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.76 12.01 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 156.89 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 p -68.38 171.98 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -159.01 171.07 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m -71.65 164.72 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.62 -87.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -41.3 137.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -59.08 -52.0 67.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.96 -154.03 24.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -144.0 117.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -116.42 141.4 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -121.21 165.92 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.66 128.09 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.02 147.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.4 mt -121.2 136.88 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 47' ' ' VAL . 21.1 mt -136.35 128.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 153.54 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 21' ' ' PHE . 22.1 mtmm -67.63 144.75 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' HIS . 39.3 m-20 -109.08 -175.67 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -38.45 -31.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' ASP . 30.4 m-70 -113.28 -25.31 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.56 -152.06 17.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 36.5 m-85 -72.85 111.56 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.93 -19.13 63.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 21' ' ' PHE . 5.0 p90 -94.5 145.3 24.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 p -127.51 165.74 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.68 166.39 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 p -167.11 123.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 162.3 177.43 35.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -127.61 -43.95 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -108.48 -37.91 5.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.663 HG23 ' HE ' ' A' ' 52' ' ' ARG . 28.1 mm -121.83 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.8 128.5 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 52' ' ' ARG . 63.8 mt -142.2 129.28 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 36' ' ' VAL . 21.0 t -46.41 106.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.37 -57.37 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -141.87 167.98 20.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' HG11 ' A' ' 33' ' ' VAL . 69.1 t -146.12 110.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 6.2 ttt85 -38.65 140.64 0.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.79 -4.65 14.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.26 39.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.27 -156.77 32.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.17 -22.7 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.11 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttm -52.77 -54.94 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -56.49 -30.95 63.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.76 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.25 43.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 14' ' ' ILE . 90.4 t -124.31 136.35 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -136.39 171.93 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.09 147.42 52.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.16 23.1 45.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB3' HD22 ' A' ' 83' ' ' LEU . 4.1 m-20 -101.57 130.47 47.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HE ' HG23 ' A' ' 30' ' ' ILE . 35.9 ttt-85 -107.6 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt -81.91 133.27 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -103.38 -48.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' CA ' ' A' ' 60' ' ' MET . 5.7 tptt -117.74 149.1 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.13 107.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 62.42 26.9 16.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.32 -9.59 75.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -102.78 103.17 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.481 ' CA ' ' HD2' ' A' ' 55' ' ' LYS . 3.9 ptm -52.83 130.62 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.589 HG11 HG22 ' A' ' 69' ' ' VAL . 17.1 m -116.47 26.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -56.87 -62.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -91.83 18.91 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -94.67 164.78 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.1 m -100.0 172.43 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 70' ' ' VAL . 13.5 t-160 -55.89 -60.86 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.7 mt -41.64 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.36 -55.93 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 HG11 ' A' ' 61' ' ' VAL . 55.1 t -53.04 -41.59 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 66' ' ' HIS . 28.2 t -56.48 -61.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -40.63 -38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.91 -35.33 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' VAL . 51.9 mt -65.0 -57.96 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 mtpm? -43.19 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -50.31 92.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LYS . . . 114.45 120.0 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.11 -39.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -117.43 169.35 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.4 p -143.42 124.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.27 103.78 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.16 152.3 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -117.82 105.31 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.3 mt -97.68 151.9 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt -119.77 129.97 54.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.24 85.62 1.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -91.38 95.82 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.8 t -85.06 144.0 28.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -166.4 170.52 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.86 147.39 7.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 102.66 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -68.03 -61.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.8 p -112.68 105.67 13.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 p -143.54 128.26 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -171.11 134.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.45 -169.51 24.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -155.82 132.99 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -106.6 157.19 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 177.85 15.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 8' ' ' VAL . 8.6 p -121.25 119.37 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' OE1' HD12 ' A' ' 84' ' ' LEU . 13.3 pt20 -127.27 162.93 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -140.81 152.18 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -96.95 107.93 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.24 129.6 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.93 119.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.09 114.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' CD ' ' H ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -98.04 142.87 29.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -59.69 146.89 39.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -131.49 -40.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -118.27 65.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 58.28 43.77 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.0 -172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -94.69 164.68 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.34 25.5 8.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 8.2 p90 -129.71 128.68 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -105.61 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 66' ' ' HIS . 2.4 m -140.64 170.35 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' CB ' ' NE2' ' A' ' 34' ' ' GLN . 1.7 t -164.69 138.89 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.97 125.87 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.83 -70.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -90.8 -36.6 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.34 96.27 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -83.57 135.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -144.23 148.89 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.66 100.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' NE2' ' CB ' ' A' ' 26' ' ' SER . 2.9 tp60 -58.05 -58.6 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -147.8 164.51 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.6 t -140.11 121.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.5 ttm-85 -49.35 140.57 12.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.9 Cg_endo -69.75 82.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.37 34.43 8.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.63 -106.55 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -35.21 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.24 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 ttm -67.4 -47.2 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.77 -22.3 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.06 -21.64 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.39 42.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.6 t -116.48 140.45 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -140.72 157.57 45.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -48.71 129.53 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 53.53 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -136.78 109.16 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.828 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 14.2 ttp-105 -81.93 132.49 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mt -92.16 138.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.8 mt -110.74 -40.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -132.48 151.76 51.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG22 HD23 ' A' ' 81' ' ' LEU . 47.8 t -147.48 111.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 53.98 31.45 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.34 15.95 65.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.514 HG21 HD11 ' A' ' 72' ' ' LEU . 26.9 m -113.51 134.31 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 ttm -89.44 102.8 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 61' ' ' VAL . 2.7 m -112.64 38.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 p -68.93 -25.34 64.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -33.39 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.65 159.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -73.07 170.03 15.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.581 ' CD2' HG23 ' A' ' 25' ' ' VAL . 2.4 t-80 -66.42 -51.61 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -51.01 -40.16 57.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.04 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.12 -52.49 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 73' ' ' ILE . 77.7 t -41.36 -50.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -46.22 -49.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 59' ' ' THR . 16.8 mt -66.88 -31.84 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 70' ' ' VAL . 61.2 mt -65.18 -45.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 pttm -95.66 58.56 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -121.18 -37.68 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.79 -179.17 16.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.26 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -124.43 174.81 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.28 134.12 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.83 110.32 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 32.8 mt -107.46 133.83 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -98.16 97.28 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 51' ' ' ASP . 3.7 mt -99.85 138.82 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 85' ' ' GLY . 4.1 tt -110.69 145.83 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.576 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -118.15 125.49 6.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 p -141.68 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -139.69 137.84 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.8 p -167.21 173.8 8.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.5 166.17 23.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.09 26.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -47.26 160.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.8 p -53.28 155.88 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -93.52 171.27 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -120.67 -43.94 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 -164.38 26.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -140.43 134.39 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 p -124.37 150.96 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.68 153.78 6.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.63 138.06 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.82 0.343 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -101.68 160.05 14.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -112.73 141.53 46.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.05 129.86 49.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 81' ' ' LEU . 9.6 p -138.67 149.2 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -140.08 123.09 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 42' ' ' ALA . 24.7 mt -103.7 137.94 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -116.49 135.68 53.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -55.69 139.29 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -108.72 -56.03 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -134.99 -67.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -77.93 -38.68 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 145.93 -69.74 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 33.5 m-85 -147.73 152.64 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.76 43.04 1.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' HZ ' HD13 ' A' ' 73' ' ' ILE . 5.6 p90 -137.64 138.07 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -122.72 140.94 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 66' ' ' HIS . 26.7 m -124.62 177.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -174.47 152.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.28 135.79 3.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.28 -74.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.894 ' NH2' HD11 ' A' ' 30' ' ' ILE . 2.9 tmm_? -56.93 -49.36 75.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.894 HD11 ' NH2' ' A' ' 29' ' ' ARG . 5.3 mt -121.5 167.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.522 ' H ' HG22 ' A' ' 30' ' ' ILE . 39.8 t -130.14 115.4 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 52' ' ' ARG . 18.6 mt -120.71 154.56 35.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG21 ' CG1' ' A' ' 47' ' ' VAL . 88.0 t -68.95 107.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.78 -53.54 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -153.23 157.23 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.57 121.77 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 14.1 ttp85 -56.3 138.92 74.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.696 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.1 Cg_endo -69.77 99.29 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.43 21.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.61 -113.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -50.67 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 23' ' ' PHE . . . -54.6 -51.01 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.4 tpp -50.9 -48.02 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -50.17 -42.03 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 50.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' CG1' HG21 ' A' ' 33' ' ' VAL . 47.1 t -116.54 126.05 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.63 155.03 48.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.09 133.92 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.64 -27.71 9.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD1' HD13 ' A' ' 83' ' ' LEU . 2.0 m-20 -55.23 138.24 45.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HA ' HD23 ' A' ' 32' ' ' LEU . 20.8 ttm105 -115.49 111.66 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mt -73.06 137.53 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -112.26 -47.28 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -134.11 169.78 16.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.522 HG12 ' ND2' ' A' ' 57' ' ' ASN . 79.1 t -142.91 114.07 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' HG12 ' A' ' 56' ' ' VAL . 19.4 p30 44.66 31.36 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -35.3 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -68.11 123.19 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 ttt -74.64 134.67 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.41 20.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -68.88 120.44 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 63' ' ' ASN . 1.9 t30 71.05 33.51 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -114.44 147.07 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.8 p -61.42 166.86 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.6 t-160 -64.84 -65.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' HIS . 4.8 tp -36.46 -60.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -38.96 -49.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -72.45 -41.39 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -42.42 -48.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -55.84 -44.81 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.672 HG23 HG11 ' A' ' 79' ' ' VAL . 96.4 mt -64.18 -44.32 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -81.27 71.61 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 t -160.39 157.89 28.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.21 -151.53 4.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.49 -32.19 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 2.1 p90 -138.01 157.85 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG11 HG23 ' A' ' 73' ' ' ILE . 3.2 p -131.37 124.77 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.57 134.1 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 12' ' ' VAL . 44.0 mt -129.22 113.79 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -88.54 97.57 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.567 HD13 ' OD1' ' A' ' 51' ' ' ASP . 13.2 mt -90.15 165.07 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 85' ' ' GLY . 1.8 tt -124.66 139.0 54.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.712 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -102.04 -86.44 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -75.38 118.66 18.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.7 p -153.47 147.64 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -93.92 162.01 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.45 75.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 159.74 52.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.4 m -127.43 83.61 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 t -59.29 165.76 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -158.88 147.34 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -133.31 128.49 35.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.72 -154.88 10.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -147.05 115.71 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -83.32 130.48 35.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.76 169.49 43.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.0 p -119.45 124.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -92.53 142.33 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -122.39 149.18 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.6 120.97 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 81' ' ' LEU . 7.2 p -119.12 139.67 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.42 123.46 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.671 HD11 HG21 ' A' ' 47' ' ' VAL . 71.8 mt -111.64 119.55 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 134.27 41.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -62.09 140.73 58.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -103.19 -50.58 3.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -109.35 42.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 64.46 35.61 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.75 133.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -66.05 172.92 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.04 39.59 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 24.9 p90 -138.28 132.56 31.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -109.22 153.26 24.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 27.6 m -131.22 158.04 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -148.98 144.75 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.93 154.06 6.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 -51.28 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -106.48 -68.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.815 HD11 ' HG2' ' A' ' 52' ' ' ARG . 1.8 tp -88.6 78.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 99.4 t -44.22 140.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.44 166.49 20.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 51' ' ' ASP . 59.1 t -88.26 109.72 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -65.03 -57.59 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.439 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 4.4 t -154.61 164.78 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.63 HG21 ' HA ' ' A' ' 48' ' ' LYS . 89.8 t -129.53 107.83 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 29.7 ttp180 -34.96 139.84 0.31 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.0 Cg_endo -69.78 88.47 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 43.88 5.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.1 -131.15 6.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 -50.26 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -51.99 -45.4 64.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.1 tpp -53.63 -49.98 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -41.35 -52.26 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -68.5 -32.61 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.77 49.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG21 HD11 ' A' ' 14' ' ' ILE . 57.3 t -114.7 130.76 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.63 ' HA ' HG21 ' A' ' 36' ' ' VAL . 40.2 mtpt -133.45 177.46 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 49.6 mt-10 -61.29 162.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.67 -33.94 3.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB3' HD22 ' A' ' 83' ' ' LEU . 76.0 m-20 -43.89 124.34 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.815 ' HG2' HD11 ' A' ' 30' ' ' ILE . 15.4 ttp180 -97.48 108.06 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.9 125.68 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mm -104.71 -57.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -119.42 155.47 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.93 107.88 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 62.17 30.97 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.99 -33.0 6.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -71.25 151.43 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 75.3 mtp -98.53 102.81 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 m -97.41 34.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -72.04 -34.44 68.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -102.06 -42.71 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -43.9 150.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.4 p -86.41 158.49 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 11.4 t-160 -42.47 -49.01 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -43.09 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.57 -23.11 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' SER . 22.6 t -85.03 -31.84 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 66' ' ' HIS . 96.7 t -57.09 -63.03 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 72' ' ' LEU . 6.4 ptpp? -44.73 -34.74 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 13.7 mt -69.78 -48.55 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.673 HG23 HG11 ' A' ' 79' ' ' VAL . 57.0 mt -61.99 -48.96 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 52.68 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.7 t -108.98 -47.49 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.96 -174.22 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.45 -53.81 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -123.91 176.97 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.673 HG11 HG23 ' A' ' 73' ' ' ILE . 6.3 p -145.82 138.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.55 102.84 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 12' ' ' VAL . 60.2 mt -99.61 122.46 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -96.07 98.1 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.1 mt -86.63 154.93 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.7 tp -134.94 127.55 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.99 71.3 0.73 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.7 p -101.8 133.93 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.71 -48.53 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.1 p 46.54 48.83 13.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.39 148.77 21.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -43.06 2.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -156.45 129.93 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.3 p -82.18 87.99 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -78.91 168.82 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -168.38 150.64 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.45 118.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.17 135.8 54.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 t -127.45 146.61 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -147.59 10.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -85.11 117.29 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt20 -109.32 144.79 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -121.55 162.12 21.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.36 122.68 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.72 137.52 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.5 130.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.51 122.9 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -101.98 119.74 39.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -38.91 137.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.57 -70.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -118.47 -59.5 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -86.65 -36.31 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 138.9 -58.73 0.61 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 41.0 m-85 -152.47 150.54 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.1 41.6 1.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 17.6 p90 -136.64 131.97 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.909 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -111.74 135.6 52.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -117.14 168.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -169.42 146.85 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.07 122.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.47 -54.71 42.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -109.57 -54.38 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.2 mm -90.94 82.06 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.79 129.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -138.96 145.64 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.75 113.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.96 -53.67 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -153.07 164.58 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.78 113.15 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -40.15 137.3 1.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.48 45.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.91 -132.63 7.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.06 -37.7 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -59.1 -54.32 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 37.6 ttm -50.03 -53.78 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -45.0 -39.69 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.14 68.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.54 39.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.3 t -98.26 137.64 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -119.11 164.37 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -76.59 144.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.57 37.66 26.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.556 ' CG ' HD22 ' A' ' 83' ' ' LEU . 12.1 t0 -106.46 142.48 36.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 53' ' ' ILE . 32.3 tpt85 -87.04 146.29 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 33.7 mt -123.94 110.17 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -85.26 -52.04 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -115.99 152.11 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG22 HD23 ' A' ' 81' ' ' LEU . 65.8 t -138.03 116.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.64 ' HB2' HG23 ' A' ' 79' ' ' VAL . 23.5 t-20 51.1 39.55 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -119.36 128.47 54.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.2 mmm -75.86 103.56 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 61' ' ' VAL . 31.2 m -127.02 104.52 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 p -132.03 -36.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -114.24 36.41 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -116.17 161.46 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 p -85.56 138.97 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . 5.9 t-80 -38.53 -56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' HIS . 1.9 tt -38.17 -45.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -50.47 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.6 t -55.08 -41.17 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.5 t -41.69 -58.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -42.38 -46.52 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 61' ' ' VAL . 36.1 mt -58.13 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.68 -32.09 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -95.49 53.22 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.1 t -151.7 127.52 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.2 -171.49 46.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -32.27 18.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -139.88 164.23 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' HB2' ' A' ' 57' ' ' ASN . 10.1 p -129.06 119.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.45 110.1 18.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 56' ' ' VAL . 5.0 mt -109.43 146.71 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 55.1 m -108.44 96.38 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.556 HD22 ' CG ' ' A' ' 51' ' ' ASP . 17.2 mt -86.05 122.28 29.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt -114.04 128.92 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.79 138.73 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 m -120.95 130.28 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t 43.27 43.73 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -104.07 124.82 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.01 147.37 7.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 153.12 69.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.9 p -132.48 133.01 43.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.6 p -51.35 112.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -131.12 137.36 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -99.26 -61.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.96 95.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -38.11 131.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -146.63 113.78 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . 137.55 148.84 5.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -77.01 136.61 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -96.83 136.6 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -110.45 164.39 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.805 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -124.24 112.21 16.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.549 HG12 ' HB2' ' A' ' 80' ' ' ALA . 30.1 mt -114.84 117.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 47' ' ' VAL . 22.9 mt -97.91 132.74 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -121.22 139.65 53.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -42.26 124.11 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.9 -67.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -113.98 -54.49 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.84 49.56 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.57 -96.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -125.01 140.23 53.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.28 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.3 144.52 40.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -124.6 171.07 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.199 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' OG1' ' A' ' 24' ' ' THR . 27.2 m -146.3 169.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -173.68 144.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASP . . . 120.48 100.45 1.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' GLY . 2.3 m-20 -34.58 -66.08 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -98.8 151.6 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 30' ' ' ILE . 20.7 mm 51.62 50.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -47.86 139.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.3 mt -134.35 155.46 50.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.87 109.0 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -59.98 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -143.44 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.09 121.22 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -46.53 141.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.33 33.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.41 -142.84 4.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.26 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.97 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.16 -54.61 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -58.26 -28.78 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.96 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.12 37.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 14' ' ' ILE . 50.2 t -111.61 134.97 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -129.65 166.57 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.47 128.19 35.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.22 35.96 3.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -117.37 140.34 49.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HA ' HD23 ' A' ' 32' ' ' LEU . 14.5 ttm180 -98.71 130.76 45.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.61 107.41 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG23 HG22 ' A' ' 62' ' ' THR . 80.4 mt -81.21 -60.45 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -117.34 155.5 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 79' ' ' VAL . 96.8 t -139.46 106.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.4 t30 56.08 39.33 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.93 -34.97 4.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.6 m -75.84 113.93 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.737 ' HG2' HG23 ' A' ' 62' ' ' THR . 10.8 ttt -80.59 112.57 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 61' ' ' VAL . 15.0 m -107.63 38.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 60' ' ' MET . 38.4 p -55.51 -44.03 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -129.33 79.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -150.44 172.83 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -81.59 139.51 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' VAL . 3.9 t-160 -47.44 -65.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 9.6 tp -35.41 -55.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.12 -43.92 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' HIS . 87.3 t -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -49.02 -58.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -43.11 -48.06 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.14 -41.59 75.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -70.98 -43.26 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -47.72 -51.59 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.8 t -75.96 107.87 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.75 131.34 3.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.3 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 8.3 p90 -125.06 161.23 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -132.97 125.26 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -83.37 108.25 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.01 138.61 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -102.93 94.91 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.439 HD11 HG22 ' A' ' 47' ' ' VAL . 12.4 mt -95.81 121.94 38.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 ' HA3' ' A' ' 7' ' ' GLY . 8.1 tt -100.41 130.65 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.99 102.11 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 t -54.85 -52.23 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.0 t -120.19 109.8 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 m -84.11 145.12 28.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.08 82.35 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -131.41 149.84 52.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -102.57 92.05 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -97.55 167.69 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -152.48 120.11 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.07 50.94 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -55.3 -55.81 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -87.69 114.88 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.72 -175.94 45.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -120.52 125.76 74.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.575 ' CA ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -98.1 159.58 14.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -134.81 142.75 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.8 129.88 41.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -141.54 143.08 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.0 135.38 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 47' ' ' VAL . 58.5 mt -108.38 121.14 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -104.98 131.74 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -46.31 119.79 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -122.11 -46.5 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -98.76 47.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.28 47.87 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.7 153.62 8.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -54.5 147.99 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.19 35.55 3.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -132.33 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.0 p -118.41 162.78 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 m -142.76 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -146.59 145.67 30.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.89 123.61 2.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.69 -44.23 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -95.46 -55.95 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.53 107.33 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 69' ' ' VAL . 59.6 t -77.2 131.11 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -142.15 147.71 37.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.08 107.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.4 -48.11 81.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -156.1 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -139.84 123.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 tpp180 -52.38 136.69 41.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.4 Cg_endo -69.81 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.95 38.03 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.43 -150.62 24.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.11 -45.81 25.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -58.37 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.8 tpp -46.59 -52.11 14.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -53.65 -45.4 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -29.35 68.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.19 38.77 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 14' ' ' ILE . 48.3 t -109.3 122.95 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -118.27 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.91 146.71 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.77 -4.74 82.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.2 m-20 -75.27 121.1 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -93.42 130.16 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mt -88.95 133.55 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -105.36 -54.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -123.05 144.97 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG13 HD23 ' A' ' 81' ' ' LEU . 19.7 t -134.43 121.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 43.68 49.75 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.2 30.87 76.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 m -127.55 121.55 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttm -78.9 87.85 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 m -92.52 39.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -79.29 115.03 18.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 68.42 46.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -117.63 -176.58 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 p -88.23 149.93 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -58.27 -58.55 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 tp -37.76 -51.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -56.2 -44.0 79.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 31' ' ' VAL . 73.0 t -56.17 -54.75 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ILE . 97.1 t -45.81 -60.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' VAL . 13.2 tttm -34.73 -39.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.04 -47.52 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 41.5 mt -61.48 -43.36 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -90.49 46.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 t -105.91 -54.45 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.24 -175.36 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.41 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -178.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.427 HG11 HG23 ' A' ' 73' ' ' ILE . 5.8 p -147.86 133.2 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.25 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.498 HD23 HG13 ' A' ' 56' ' ' VAL . 69.8 mt -126.06 136.75 53.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 m -103.59 95.2 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' ASP . 17.6 mt -89.85 139.18 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 9' ' ' GLN . 3.9 tp -100.09 146.14 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.38 102.08 1.09 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 m -106.11 88.77 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.5 t 61.11 44.14 10.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -116.1 124.58 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.71 -170.59 18.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.425 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 89.04 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.626 2.218 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 t 47.11 44.27 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -109.81 42.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -68.44 125.48 26.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -51.94 94.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.08 137.99 5.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -67.11 149.14 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -98.55 102.22 13.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.81 -145.67 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -83.98 129.54 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -127.94 149.21 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -127.06 145.69 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.59 136.33 33.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.701 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 p -145.06 126.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.5 mt -97.81 136.36 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 81' ' ' LEU . 52.5 mt -131.61 125.33 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 0.3 OUTLIER -101.25 150.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -78.94 150.81 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -128.1 115.88 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 70.59 36.93 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.7 m80 69.05 39.15 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 129.89 1.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -73.2 -64.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.09 -42.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -78.7 141.63 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 p -113.3 164.57 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' CD2' ' A' ' 66' ' ' HIS . 5.3 m -147.67 168.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -169.94 142.74 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.98 140.08 4.03 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.84 -71.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -71.14 -75.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -89.97 132.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 69' ' ' VAL . 77.2 t -100.93 124.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 51' ' ' ASP . 12.0 mt -123.12 147.62 46.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.77 115.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.35 -48.47 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.0 m -154.76 162.02 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' ARG . 69.9 t -129.48 112.35 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 11.1 tpp180 -36.77 136.69 0.58 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.8 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.42 29.25 33.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.5 -127.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 15' ' ' GLN . . . -99.72 -39.79 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.45 61.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 tpp -51.32 -48.03 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -53.14 -43.49 67.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -61.08 -31.16 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.08 39.75 1.93 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 83' ' ' LEU . 84.7 t -107.13 144.01 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -134.22 172.79 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.21 148.26 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.67 31.64 15.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' HB3' HD22 ' A' ' 83' ' ' LEU . 10.1 m-20 -114.48 110.07 19.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 52' ' ' ARG . 15.8 ttm105 -84.45 105.54 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 81' ' ' LEU . 70.4 mt -70.39 132.42 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -97.01 -50.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.03 155.97 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.007 HG12 ' OD1' ' A' ' 57' ' ' ASN . 91.2 t -137.75 106.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 1.007 ' OD1' HG12 ' A' ' 56' ' ' VAL . 4.4 p-10 45.07 39.36 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.64 -33.6 5.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -79.8 116.01 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 mtp -76.62 121.81 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' VAL . 8.7 m -110.67 34.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -65.99 -30.43 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -121.11 -35.14 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 m -43.78 161.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.3 p -89.14 165.01 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.667 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.5 t-80 -59.77 -46.06 90.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mt -50.09 -43.43 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.25 -35.9 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 31' ' ' VAL . 99.2 t -63.27 -39.33 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 85.4 t -57.57 -65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -38.31 -46.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 69' ' ' VAL . 11.4 mt -64.19 -42.96 96.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 69' ' ' VAL . 48.1 mt -62.63 -65.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -42.68 -72.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -47.64 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.95 126.84 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.22 -48.66 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -134.85 176.15 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 57' ' ' ASN . 10.1 p -147.98 125.23 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 110.03 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -105.73 142.23 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 9' ' ' GLN . 43.9 m -111.84 97.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' ASP . 14.8 mt -83.97 139.95 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 85' ' ' GLY . 4.8 tt -122.25 126.57 48.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.436 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -43.68 141.56 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.2 p -106.8 108.03 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m -75.61 112.55 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p 36.76 51.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.13 -93.26 2.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -39.45 6.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.228 . . . . 0.0 112.378 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 t -59.34 133.82 56.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -79.83 -41.53 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -69.83 113.43 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -131.31 160.19 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.84 -69.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -43.56 -65.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -108.17 86.69 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.38 158.13 2.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t -117.5 113.56 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -104.3 164.03 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 82' ' ' THR . 57.9 mtm180 -142.04 175.39 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -123.29 118.08 26.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.01 139.99 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -112.53 134.75 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 47' ' ' VAL . 58.7 mt -129.07 133.88 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -114.93 153.04 31.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -80.16 122.88 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.37 -44.84 5.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -110.17 49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.14 35.52 23.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.91 141.03 3.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -65.25 -176.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.28 41.15 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 p90 -137.83 153.57 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -125.79 164.93 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 66' ' ' HIS . 4.1 m -148.78 158.39 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -92.56 -6.61 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.5 18.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.438 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ARG . 2.1 m-20 -78.21 -174.78 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 29' ' ' ARG . 18.1 ttp-105 -33.52 -64.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.9 tp -102.01 76.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' ILE . 33.9 t -32.88 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 51' ' ' ASP . 6.5 mt -119.89 149.58 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.48 106.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -62.88 -58.76 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -141.99 168.15 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 43' ' ' MET . 25.3 t -145.3 109.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -44.48 142.9 2.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.78 16.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.31 27.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.22 -153.61 7.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.55 -32.06 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 14' ' ' ILE . . . -72.76 -53.1 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.45 ' HB2' HG12 ' A' ' 36' ' ' VAL . 54.3 tpp -46.02 -47.56 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -58.17 -47.32 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.88 -23.77 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.29 37.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 14' ' ' ILE . 5.6 t -105.22 151.39 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 166.96 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.11 125.24 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . 122.57 -32.57 4.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.9 m-20 -41.55 128.09 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.77 HH21 HD21 ' A' ' 84' ' ' LEU . 23.6 ttp180 -101.4 110.02 21.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 83' ' ' LEU . 41.1 mt -83.85 121.15 36.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.853 HD11 HD23 ' A' ' 84' ' ' LEU . 2.6 mt -108.32 -49.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -117.36 158.33 24.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 95.1 t -148.52 106.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 62.8 41.61 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.97 -9.08 26.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -101.66 121.76 42.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 ttm -71.22 130.74 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.8 36.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.4 ' C ' ' CG ' ' A' ' 63' ' ' ASN . 65.1 p -73.4 148.97 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 62' ' ' THR . 0.7 OUTLIER 45.28 43.13 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.0 m -114.35 -175.0 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -102.03 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.707 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 t-160 -80.47 -37.04 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.58 -51.18 61.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.02 -68.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.72 HG12 ' CD1' ' A' ' 73' ' ' ILE . 94.2 t -40.07 -58.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' HIS . 72.1 t -40.24 -64.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -40.45 -45.85 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.99 -38.67 76.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.72 ' CD1' HG12 ' A' ' 69' ' ' VAL . 74.1 mt -60.4 -34.66 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.21 60.66 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -125.83 121.98 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.86 -124.06 23.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.3 -24.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -136.95 175.22 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.12 124.74 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.87 102.82 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.71 HD23 HG22 ' A' ' 56' ' ' VAL . 5.6 mt -106.93 138.18 43.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 10' ' ' ARG . 87.6 m -93.22 100.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 51' ' ' ASP . 37.5 mt -105.59 130.54 53.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 54' ' ' ILE . 2.0 pp -110.69 168.64 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.36 111.11 1.06 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.0 t -100.84 -26.17 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -61.04 133.21 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.8 m -129.17 159.1 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.21 -65.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.441 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.98 13.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.626 2.217 . . . . 0.0 112.393 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -44.66 123.0 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -58.12 145.07 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -137.21 145.58 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -137.61 173.99 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.07 75.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -118.6 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -68.17 88.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.49 175.83 38.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.5 t -114.98 122.08 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -113.13 151.83 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -120.01 146.02 46.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -89.42 111.02 21.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -112.64 152.75 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.2 mt -140.54 135.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 18.0 mt -123.99 136.47 60.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -123.97 140.19 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -44.06 136.76 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -117.89 -58.56 2.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -115.06 -58.08 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -129.58 41.45 3.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.12 -131.51 10.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 73' ' ' ILE . 22.8 m-85 -95.03 143.06 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.47 10.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -80.79 154.08 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -142.63 144.68 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 66' ' ' HIS . 18.8 m -115.54 144.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -130.58 8.47 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.04 117.32 4.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.85 -70.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -71.79 -42.79 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.04 100.32 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 69' ' ' VAL . 92.9 t -54.78 118.65 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.4 mt -134.74 135.75 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 36' ' ' VAL . 85.6 t -58.24 102.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.54 -54.41 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -148.01 155.58 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' A' ' 33' ' ' VAL . 98.9 t -132.89 120.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.488 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 17.5 tpp180 -44.43 136.29 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.76 -0.65 7.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.59 48.94 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.69 -165.16 14.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.65 -50.31 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.25 -61.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.2 ttm -45.59 -51.26 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -54.9 -42.37 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.08 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.1 37.35 1.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 83' ' ' LEU . 85.2 t -109.29 117.85 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -115.86 161.88 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.41 151.08 17.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.32 -20.15 35.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' CG ' HD22 ' A' ' 83' ' ' LEU . 7.0 t0 -59.61 135.1 57.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.752 0.311 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . 8.8 ttp-105 -108.21 136.78 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.15 131.75 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.93 -51.15 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -128.93 156.86 43.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 81' ' ' LEU . 72.0 t -142.86 107.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 79' ' ' VAL . 32.5 m120 57.89 32.12 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.59 -11.34 71.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 m -98.05 110.55 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.96 135.85 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.7 24.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -55.91 -44.01 77.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -127.43 51.19 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -116.36 152.06 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.1 p -82.53 132.98 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 25' ' ' VAL . 9.2 t-160 -39.82 -52.81 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.69 -59.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.89 -41.27 86.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HA ' HD12 ' A' ' 72' ' ' LEU . 95.4 t -54.39 -44.59 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.45 -55.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.68 -42.13 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 69' ' ' VAL . 28.4 mt -57.44 -46.32 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.443 HG22 ' CE2' ' A' ' 21' ' ' PHE . 27.9 mt -67.79 -17.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -94.81 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -116.77 92.52 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.48 -123.41 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.55 -40.93 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 6.4 p90 -117.49 -178.67 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 57' ' ' ASN . 14.5 p -145.93 134.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.7 114.51 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 56' ' ' VAL . 3.8 mt -111.44 153.5 26.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -112.34 96.95 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 51' ' ' ASP . 12.4 mt -86.39 150.01 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER -106.89 132.51 52.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.644 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -89.71 82.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -70.93 124.18 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -97.39 83.33 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.4 m -105.13 111.9 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.24 146.47 6.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 126.86 13.81 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -127.74 160.74 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.3 p -69.86 110.5 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 56.42 42.31 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -104.39 150.74 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.85 89.62 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 56.01 36.61 27.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -103.38 112.46 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.89 141.13 15.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p -108.88 125.75 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -88.47 151.43 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -124.36 173.74 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -117.06 120.53 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 83' ' ' LEU . 8.3 p -131.42 140.82 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -128.44 137.99 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mt -118.59 127.15 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -103.97 118.26 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 3.0 pptp? -59.3 170.55 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 -176.41 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -41.29 -46.87 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -80.88 -37.72 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.86 177.12 15.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 32.5 m-85 -51.63 170.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.42 34.81 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.5 p90 -134.2 145.85 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -129.87 138.51 50.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 33' ' ' VAL . 3.7 m -116.92 173.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -165.76 145.62 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.4 121.22 2.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.2 -56.33 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.99 -38.89 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.91 78.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.5 129.66 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 51' ' ' ASP . 41.1 mt -141.64 143.67 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' HA ' HG12 ' A' ' 25' ' ' VAL . 98.9 t -66.61 116.39 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -53.17 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.424 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 51.9 m -160.29 155.92 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.2 t -128.35 139.36 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -68.19 134.39 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -1.27 8.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.647 2.231 . . . . 0.0 112.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.08 44.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.35 -137.94 7.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.93 -33.9 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -62.62 -45.6 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.6 tpp -59.13 -46.2 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -51.87 -46.53 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -28.99 68.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.97 47.64 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.76 137.01 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -135.85 167.21 21.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 36.3 mt-10 -59.48 146.93 38.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.23 34.69 9.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.64 ' CG ' HD22 ' A' ' 83' ' ' LEU . 6.1 t0 -120.03 144.38 47.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.96 156.72 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mt -125.19 125.81 69.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.84 -46.91 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 149.08 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG22 HD23 ' A' ' 81' ' ' LEU . 56.0 t -137.06 117.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.65 41.9 18.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.88 75.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -121.57 109.34 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.51 110.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG11 HG22 ' A' ' 69' ' ' VAL . 27.1 m -117.06 22.06 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 p -55.81 -26.71 47.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.5 t30 -110.33 -51.32 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' ASN . 74.3 m -37.1 154.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 t -82.05 160.55 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CD2' HG23 ' A' ' 25' ' ' VAL . 4.4 t-80 -57.79 -61.67 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -38.0 -36.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.24 -61.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 61' ' ' VAL . 56.6 t -40.47 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 74' ' ' LYS . 84.0 t -47.06 -53.79 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 72' ' ' LEU . 19.1 pttm -39.13 -46.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 71' ' ' LYS . 5.7 mt -65.75 -56.97 9.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 mt -43.84 -51.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 70' ' ' VAL . 9.3 ptpt -78.98 60.83 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -145.87 143.63 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.19 -148.88 45.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.7 -33.95 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 158.55 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.8 p -130.99 120.23 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.85 132.4 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 56' ' ' VAL . 5.8 mt -126.23 138.24 53.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -97.98 95.26 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.64 HD22 ' CG ' ' A' ' 51' ' ' ASP . 25.0 mt -86.88 144.33 27.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 85' ' ' GLY . 17.3 tp -132.43 136.67 46.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.558 ' H ' HD12 ' A' ' 84' ' ' LEU . . . -43.86 108.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 p -95.1 167.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -141.04 134.06 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -70.31 -52.39 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.28 149.34 21.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 124.54 11.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.2 p -172.39 162.87 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t -47.67 149.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -124.3 172.07 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -57.5 171.93 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.07 111.03 1.61 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -65.71 126.15 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.365 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 p -102.76 154.96 18.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.62 -151.88 52.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -144.89 120.82 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -99.91 154.6 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 14.8 ttm105 -135.87 144.22 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -101.43 131.56 47.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.09 130.62 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -109.88 127.89 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 21.3 mt -107.13 130.75 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' LYS . 12.9 pt20 -110.67 124.74 52.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLN . 13.8 ptpt -34.62 118.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 12.4 t70 -112.63 -36.08 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' HG3' ' NE2' ' A' ' 19' ' ' HIS . 3.0 tp60 -127.21 79.42 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 18' ' ' GLN . 9.3 p80 38.23 42.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.34 157.1 9.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HE2' HG22 ' A' ' 73' ' ' ILE . 31.4 m-85 -49.98 168.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.95 6.99 7.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CB ' HG22 ' A' ' 36' ' ' VAL . 23.5 p90 -109.52 166.19 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -142.53 172.22 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.32 158.82 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -85.93 -0.57 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.11 90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ARG . 1.4 p-10 -161.45 -176.98 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' ASP . 38.2 mtt180 -34.97 -40.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 mm -127.36 69.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ILE . 20.4 t -35.22 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.5 mt -108.91 144.73 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -57.56 108.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.41 -59.78 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -150.94 167.18 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 43' ' ' MET . 38.1 t -144.4 154.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 13.0 tpp180 -80.48 136.21 52.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.81 90.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.78 26.71 8.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.432 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.68 -151.64 26.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -78.27 -41.93 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.24 96.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 7.4 mmm -64.47 -57.59 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -50.65 -21.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.07 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 43.45 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.9 t -122.63 129.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -139.09 166.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.52 146.31 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.05 37.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 146.72 53.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -116.62 133.92 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.494 HG21 HD22 ' A' ' 81' ' ' LEU . 21.1 mt -101.72 114.61 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.88 -45.73 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -117.39 149.07 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.3 t -141.33 116.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.82 30.64 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.67 -18.42 52.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.7 m -100.49 131.63 46.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 ptm -74.61 128.6 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.8 m -106.26 7.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.1 p -54.55 146.1 17.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.6 47.91 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t -129.68 157.79 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.729 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.2 m -77.81 -179.02 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 67' ' ' LEU . 1.5 t60 -69.51 -70.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' HIS . 7.7 tp -35.63 -58.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -42.82 -45.63 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' SER . 13.4 t -74.08 -42.92 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 62.0 t -48.48 -50.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -59.45 -39.79 84.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.21 -27.17 66.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.42 HG22 ' HE2' ' A' ' 21' ' ' PHE . 49.2 mt -77.7 -57.32 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -84.06 62.81 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 t -112.78 -39.84 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.66 -153.85 7.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.64 -20.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 1.1 p90 -153.19 -176.23 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 79' ' ' VAL . 7.7 p -152.19 120.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 121.35 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG21 ' A' ' 53' ' ' ILE . 41.8 mt -113.62 158.25 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 83' ' ' LEU . 93.2 m -118.99 106.69 12.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.712 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -98.86 118.64 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 85' ' ' GLY . 8.1 tp -102.73 126.17 49.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' N ' HD12 ' A' ' 84' ' ' LEU . . . 54.3 -130.48 44.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m 57.31 42.24 25.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 89' ' ' GLY . 3.2 m -94.53 92.99 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -63.88 74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' SER . . . -159.14 83.48 0.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.79 31.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.375 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -60.32 -51.25 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -114.49 112.42 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -129.19 96.49 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -106.19 162.28 13.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -172.91 156.65 25.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 52.5 p 36.79 43.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -154.74 158.67 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.48 132.07 10.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.94 122.23 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.4 164.3 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -134.39 129.91 36.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.79 110.28 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 p -109.03 138.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.58 118.19 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 14.7 mt -104.84 131.44 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 8.2 pt20 -102.45 123.48 46.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -54.48 165.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -125.93 -175.78 3.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -50.09 -20.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -110.31 -35.08 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 169.52 15.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -45.37 164.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.51 50.76 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -135.16 139.86 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -118.96 161.53 20.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.39 162.71 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 28' ' ' ASP . 8.4 t -87.94 -7.51 57.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.64 20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ARG . 9.9 m-20 -84.27 -175.07 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' ASP . 15.5 ttm-85 -34.44 -47.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.571 HG22 ' HG ' ' A' ' 32' ' ' LEU . 28.9 mm -117.93 87.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.43 107.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HG ' HG22 ' A' ' 30' ' ' ILE . 16.1 mt -129.22 136.56 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.546 HG21 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -58.35 116.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.93 -43.48 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -148.32 158.16 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 42' ' ' ALA . 58.8 t -135.08 113.22 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -38.22 134.61 0.9 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 99.58 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.54 -107.64 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.93 -52.49 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -52.07 -44.5 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 ttm -62.45 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -44.15 -48.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -61.48 -31.66 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 40.68 0.88 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 14' ' ' ILE . 84.2 t -108.72 130.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 7.4 mptt -108.03 -175.92 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -95.5 105.16 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.59 28.5 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -102.48 154.28 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -110.01 129.68 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 56' ' ' VAL . 22.1 mt -101.71 111.93 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 84' ' ' LEU . 10.2 mt -83.5 -56.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -115.82 155.08 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 53' ' ' ILE . 90.8 t -146.34 114.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 53.95 30.17 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.98 29.11 35.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m -127.28 111.72 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.2 mtp -59.15 104.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 61' ' ' VAL . 20.2 m -131.83 104.03 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.3 -33.64 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -129.74 50.58 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -114.8 163.38 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -81.48 152.42 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' LEU . 2.4 t60 -40.56 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -35.81 -66.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -39.24 -38.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' HIS . 59.7 t -79.44 -33.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' LEU . 90.5 t -51.97 -53.4 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -40.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.416 ' CD1' HG11 ' A' ' 61' ' ' VAL . 18.8 mt -71.13 -46.59 61.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.5 -47.94 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -84.56 53.57 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -154.12 109.27 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.07 144.55 14.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.76 -27.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -146.61 -179.68 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.15 112.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.97 102.73 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.67 141.19 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -111.57 94.96 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.34 137.01 32.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 85' ' ' GLY . 0.6 OUTLIER -101.12 133.06 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.855 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -35.08 106.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 m -56.01 169.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -133.41 114.22 13.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 m -72.05 -50.09 31.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.86 83.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.0 p -72.3 108.51 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -70.73 105.24 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -77.78 141.51 39.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -90.17 149.83 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.2 108.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -49.94 144.17 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.848 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -86.05 152.52 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.42 15.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -145.2 131.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.111 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.544 ' HB3' HG22 ' A' ' 82' ' ' THR . 10.5 mt-30 -108.87 161.18 15.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 46' ' ' GLY . 7.6 ptm180 -124.77 120.69 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -86.17 124.59 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 p -134.0 124.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.651 HG12 ' HB2' ' A' ' 80' ' ' ALA . 74.3 mt -102.09 124.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.516 HD11 HG21 ' A' ' 47' ' ' VAL . 18.2 mt -108.28 131.62 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.23 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -57.14 117.11 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -92.37 -43.01 9.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -118.54 44.13 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 64.04 45.72 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.74 136.57 2.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.98 169.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.82 43.13 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -137.68 132.56 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -106.94 144.51 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 33' ' ' VAL . 16.9 m -133.78 135.86 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.3 p -82.21 110.22 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.47 125.15 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.8 t0 -175.07 -179.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' ASP . 2.9 tpt180 -34.19 -43.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -130.29 79.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 69' ' ' VAL . 24.8 t -33.19 128.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD21 ' HG3' ' A' ' 52' ' ' ARG . 9.6 mt -128.97 160.92 31.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.775 ' HA ' HG12 ' A' ' 25' ' ' VAL . 75.4 t -89.32 113.22 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -155.37 169.79 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' A' ' 42' ' ' ALA . 97.4 t -132.17 109.24 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 52.9 ttm-85 -36.61 139.56 0.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 90.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.65 37.11 7.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 -124.41 3.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.83 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.641 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -61.19 -50.2 74.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.7 ttm -54.04 -48.01 71.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -55.37 -46.44 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.695 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -62.61 -28.92 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' NH2' ' A' ' 10' ' ' ARG . . . 111.81 42.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 14' ' ' ILE . 87.4 t -106.1 143.55 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -134.95 160.25 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -73.32 141.98 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.48 39.71 5.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.452 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.2 m-20 -133.23 133.12 42.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.1 mtt180 -93.61 144.78 25.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.439 HG21 HG22 ' A' ' 56' ' ' VAL . 17.8 mt -111.66 126.3 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mm -99.17 -32.99 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -126.44 153.34 45.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.865 HG12 ' OD1' ' A' ' 57' ' ' ASN . 45.5 t -150.46 120.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.865 ' OD1' HG12 ' A' ' 56' ' ' VAL . 8.8 p-10 42.3 46.04 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.475 ' CA ' ' HD3' ' A' ' 55' ' ' LYS . . . 82.28 -28.55 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' VAL . 56.5 m -92.43 128.24 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 mtm -77.88 143.14 38.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 69' ' ' VAL . 27.2 m -122.01 36.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -70.78 140.59 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 44.44 41.37 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 p -118.71 178.07 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 69' ' ' VAL . 59.2 m -110.05 171.96 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.9 t60 -62.14 -37.83 86.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.52 -58.58 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.13 -59.54 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 65' ' ' SER . 42.7 t -41.14 -37.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 66' ' ' HIS . 49.8 t -65.05 -67.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' VAL . 7.4 tttm -36.66 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' VAL . 43.9 mt -75.13 -44.61 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' VAL . 95.2 mt -64.15 -54.02 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -41.44 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 m -42.04 103.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.88 145.07 7.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.95 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -148.36 169.64 19.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.775 HG23 ' HB3' ' A' ' 57' ' ' ASN . 14.5 p -140.15 141.44 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -99.36 115.51 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD23 HG13 ' A' ' 56' ' ' VAL . 9.6 mt -106.01 136.68 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.544 HG22 ' HB3' ' A' ' 9' ' ' GLN . 84.9 m -106.65 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' N ' HD23 ' A' ' 83' ' ' LEU . 4.9 mt -83.0 132.07 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 85' ' ' GLY . 1.3 tp -121.03 133.03 55.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.87 ' N ' HD12 ' A' ' 84' ' ' LEU . . . -80.37 -142.8 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.9 p -102.01 159.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' SER . 56.2 m -100.83 166.78 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' SER . 70.7 p -34.65 127.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.37 82.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' SER . 1.4 t -77.71 149.65 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' SER . 4.7 m -38.28 -54.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -98.51 108.64 21.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -122.0 108.96 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.21 46.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -132.98 104.36 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -120.33 142.09 49.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 174.55 45.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -66.99 154.1 8.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -125.02 138.26 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -116.59 141.26 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.62 131.49 38.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 47' ' ' VAL . 13.5 p -132.14 139.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.21 126.22 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 45' ' ' ALA . 28.4 mt -108.66 124.87 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' LYS . 1.4 pt20 -114.34 127.67 55.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.2 mtmt -34.47 107.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -105.86 -45.22 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -111.66 50.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 58.03 43.26 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.78 145.57 5.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' HG22 ' A' ' 73' ' ' ILE . 25.0 m-85 -56.05 174.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.48 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 25.9 p90 -136.84 125.41 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 p -108.65 137.87 45.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 ' HB ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.55 173.25 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 p -168.21 132.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.87 141.14 3.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.18 -75.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 30' ' ' ILE . 57.3 ttp180 -62.7 -73.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -95.99 138.34 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 69' ' ' VAL . 61.8 t -102.28 112.64 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 51' ' ' ASP . 7.8 mt -109.7 148.02 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.86 118.06 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -76.76 -51.35 11.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -152.83 150.61 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' ARG . 87.2 t -124.54 105.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 18.8 tpp180 -36.06 135.97 0.52 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -69.74 82.48 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.75 46.02 2.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.08 -129.46 6.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.79 -30.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 23' ' ' PHE . . . -76.57 -34.46 58.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.8 ttm -68.44 -43.36 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -72.81 -29.09 62.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -64.87 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.66 25.74 2.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 83' ' ' LEU . 61.0 t -113.27 134.53 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 -178.05 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.9 152.52 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.81 34.09 71.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' OD2' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -104.84 108.2 19.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -85.4 119.91 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.42 137.84 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.23 -48.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.47 155.95 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.65 103.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER 48.9 29.12 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.68 -43.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -70.56 107.58 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.4 ttm -71.69 108.25 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' THR . 33.5 m -96.69 21.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -36.63 -44.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 11.5 p-10 -132.17 73.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -141.77 140.42 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -62.22 156.94 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 70' ' ' VAL . 20.6 t-160 -47.88 -59.02 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.0 mt -39.9 -57.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.5 -37.85 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 31' ' ' VAL . 46.5 t -78.44 -35.2 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 66' ' ' HIS . 93.2 t -59.51 -48.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -60.67 -39.54 88.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.62 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.751 HG23 HG11 ' A' ' 79' ' ' VAL . 39.8 mt -70.97 -50.47 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.5 -50.6 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -56.96 123.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.24 153.4 27.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.28 91.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.13 -176.25 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.751 HG11 HG23 ' A' ' 73' ' ' ILE . 4.6 p -154.99 133.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . . . -92.85 127.44 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -125.9 137.49 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 m -99.41 106.85 18.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.552 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.3 mt -99.39 138.43 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 85' ' ' GLY . 5.0 tt -123.75 139.86 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.44 ' N ' HD23 ' A' ' 84' ' ' LEU . . . 105.51 121.77 4.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.9 p -75.0 169.96 16.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.2 t -130.79 -61.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -50.83 103.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.13 -93.19 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 95.66 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -64.46 117.64 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t 42.29 40.56 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' GLY . 52.3 p 35.29 40.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -84.77 137.7 33.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.62 -149.67 18.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -121.02 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.392 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -116.19 129.74 56.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.52 22.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.98 134.19 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.44 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -113.35 152.16 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -100.41 103.68 15.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.85 141.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 80' ' ' ALA . 10.0 mm -119.71 138.3 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.5 mt -135.91 146.31 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.4 pm0 -121.57 150.45 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -86.84 150.27 24.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.65 -178.92 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ASP . 3.5 tm0? -36.3 -46.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -79.05 -43.27 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.7 -156.29 26.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE1' HG12 ' A' ' 79' ' ' VAL . 42.0 m-85 -74.92 -65.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.26 -51.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.547 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.421 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.2 p90 -81.2 132.13 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -118.97 150.71 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG23 ' ND1' ' A' ' 66' ' ' HIS . 29.0 m -122.68 144.85 30.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -130.39 3.89 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.8 118.02 5.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.69 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -42.97 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mm -121.62 91.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 69' ' ' VAL . 77.1 t -47.09 112.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' ASP . 12.8 mt -128.28 148.38 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.22 114.25 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -86.33 -44.24 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -146.16 153.9 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -136.6 123.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' CD ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -55.56 133.56 71.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.61 2.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.466 ' H ' ' CD ' ' A' ' 37' ' ' ARG . . . -162.07 39.09 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.66 -150.8 23.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -94.88 -36.54 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -61.77 -53.78 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.9 tpp -44.51 -53.04 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.95 -37.05 42.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.51 65.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.81 24.37 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -89.86 126.18 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -123.7 167.83 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.96 123.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.87 -0.92 15.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.6 m-20 -81.52 132.06 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -102.89 140.37 37.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 81' ' ' LEU . 13.2 mt -109.45 122.63 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.45 -46.2 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -116.77 142.35 47.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.866 HG22 HD23 ' A' ' 81' ' ' LEU . 67.6 t -139.95 106.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m120 62.93 33.14 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.11 -23.75 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -95.93 116.91 29.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptm -66.27 136.11 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.437 ' HB ' HG22 ' A' ' 69' ' ' VAL . 19.0 m -113.62 9.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -49.26 133.33 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 55.52 48.16 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -129.32 142.87 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' HIS . 26.5 p -62.34 135.36 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 25' ' ' VAL . 2.7 t60 -37.09 -49.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -50.08 -61.01 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -43.63 -40.81 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 31' ' ' VAL . 38.8 t -63.68 -53.48 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -38.81 -50.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -41.45 -42.78 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.43 -39.79 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.91 -68.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -39.91 -52.37 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -44.92 102.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 164.06 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.76 -52.44 56.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -105.85 172.16 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.402 HG12 ' CE1' ' A' ' 21' ' ' PHE . 2.2 p -138.34 124.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -81.56 137.05 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.045 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.866 HD23 HG22 ' A' ' 56' ' ' VAL . 20.4 mt -135.62 156.09 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -128.61 101.92 6.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -93.89 147.7 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tt -110.27 126.68 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.57 113.38 5.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -77.66 171.29 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.839 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.0 p -153.71 145.6 23.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -60.02 144.12 50.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.6 146.53 47.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.6 Cg_endo -69.83 -31.58 19.95 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' PRO . 5.0 m -34.55 131.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -124.29 146.16 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -69.28 160.32 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -172.67 140.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.26 -175.87 18.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -132.47 -48.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -40.41 145.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.8 -177.08 52.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.0 p -139.46 125.2 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.99 159.16 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -126.81 144.72 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -96.51 129.44 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.87 137.67 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.57 119.94 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 47' ' ' VAL . 32.2 mt -103.56 109.65 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -98.89 117.77 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -42.08 140.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -117.2 -38.15 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -113.53 49.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 62.54 32.46 16.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.93 164.73 20.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.424 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -85.65 167.16 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.21 37.53 2.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -138.27 131.07 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLN . 52.6 p -108.02 142.01 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.5 m -125.04 175.03 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -168.76 155.13 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.79 135.61 4.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -75.35 -70.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -66.11 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.687 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -97.62 138.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 HD12 ' A' ' 53' ' ' ILE . 93.6 t -102.68 133.89 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -129.52 156.32 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 25' ' ' VAL . 60.3 t -78.6 104.65 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 54.7 tp60 -61.16 -62.19 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -139.1 165.2 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 t -139.51 110.76 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' VAL . 21.1 tpp180 -37.9 135.04 0.82 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.72 44.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.98 -130.95 6.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.91 -56.75 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.82 -46.06 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.7 tpp -62.6 -48.54 78.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -53.55 -29.08 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.02 -21.9 36.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.28 47.55 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 48' ' ' LYS . 97.3 t -102.07 160.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.37 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 47' ' ' VAL . 18.6 mmmt -147.41 168.15 22.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -81.89 136.74 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.62 17.62 25.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.746 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -95.73 112.11 23.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 32' ' ' LEU . 21.5 ttp85 -80.36 114.29 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 31' ' ' VAL . 16.3 mt -76.37 131.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.06 -46.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 13.0 ttmm -124.14 157.91 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.5 HG12 ' OD1' ' A' ' 57' ' ' ASN . 54.2 t -139.85 105.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' OD1' HG12 ' A' ' 56' ' ' VAL . 0.4 OUTLIER 45.72 37.53 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.54 6.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -76.41 115.45 16.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.167 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 mmm -79.17 110.44 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.61 21.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -57.7 -19.15 25.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.23 -33.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m -51.98 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.82 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.4 t -119.56 170.09 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -47.82 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -45.72 -50.38 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.09 -25.65 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 65' ' ' SER . 24.5 t -84.9 -44.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.71 -45.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -61.87 -35.84 79.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 69' ' ' VAL . 9.8 mt -71.65 -45.28 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.746 HG23 HG11 ' A' ' 79' ' ' VAL . 95.8 mt -63.17 -45.75 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 38.8 mtpt -65.53 -71.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.2 t -37.48 107.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' TYR . . . 111.57 123.56 4.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -35.67 -34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLY . 1.5 p90 -138.29 178.23 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 73' ' ' ILE . 8.1 p -149.32 136.41 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.55 123.44 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.11 138.96 52.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -104.33 99.93 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 51' ' ' ASP . 10.0 mt -87.88 127.27 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 85' ' ' GLY . 5.2 tt -98.22 142.29 30.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.499 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -144.74 116.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.5 p -119.71 122.46 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 t 49.78 42.99 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -125.13 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.66 -170.72 12.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.96 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -130.44 107.64 9.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 t -94.01 125.15 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.4 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.7 142.86 50.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -118.98 161.0 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.28 123.49 47.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.01 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.1 134.19 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.519 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 8.1 mt -117.49 128.51 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -105.75 118.46 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.97 31.57 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.441 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.0 p90 -137.68 153.67 49.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -141.12 146.11 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 33' ' ' VAL . 29.5 m -123.17 178.26 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -171.0 129.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.8 142.1 3.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.89 -70.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -80.55 -65.78 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -89.86 128.55 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG1' HD12 ' A' ' 53' ' ' ILE . 86.2 t -106.61 124.22 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' ARG . 13.9 mt -132.22 145.02 51.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' HA ' HG12 ' A' ' 25' ' ' VAL . 43.8 t -58.67 109.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -70.16 -58.23 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -131.16 167.43 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -145.69 122.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -48.24 145.75 5.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.33 8.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.55 27.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.62 173.13 50.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' CG2' ' A' ' 14' ' ' ILE . . . -52.83 -26.49 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -74.45 -49.55 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.9 tpp -57.77 -43.32 85.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -14.73 61.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.66 -31.28 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.057 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.16 33.79 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.542 ' CG1' HG21 ' A' ' 33' ' ' VAL . 98.4 t -102.24 110.95 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -107.44 161.28 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.92 121.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.26 40.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.06 108.16 13.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.564 ' CA ' HD23 ' A' ' 32' ' ' LEU . 12.2 ttp180 -73.69 129.55 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.491 HD12 ' CG1' ' A' ' 31' ' ' VAL . 23.5 mt -83.5 127.16 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.6 -53.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -124.27 141.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 HD23 ' A' ' 81' ' ' LEU . 58.4 t -134.64 102.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 55.38 44.3 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.21 13.76 81.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.55 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -121.74 103.36 8.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 mtp -61.62 119.46 8.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.88 26.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -57.39 -28.54 63.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 -33.8 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -39.08 158.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . 20.0 m -92.83 153.58 18.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' VAL . 19.8 t-160 -37.35 -65.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 16.5 mt -34.95 -59.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -51.06 -41.74 60.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 31' ' ' VAL . 25.4 t -66.6 -44.57 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -52.77 -63.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.25 -40.51 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 69' ' ' VAL . 51.2 mt -58.71 -41.66 86.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.47 -22.21 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.52 19.51 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -115.96 106.38 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.29 149.41 24.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.43 -54.26 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 3.9 p90 -107.42 179.75 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 79' ' ' VAL . 7.5 p -150.78 118.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.52 107.4 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 56' ' ' VAL . 22.1 mt -109.17 132.64 53.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -102.63 98.39 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.96 150.16 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 84' ' ' LEU . 14.5 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.775 0.322 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -103.35 133.32 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -107.88 157.27 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -114.37 107.5 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -103.33 157.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.494 ' N ' HG22 ' A' ' 12' ' ' VAL . 87.4 mt -133.93 127.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.548 HD11 HG21 ' A' ' 47' ' ' VAL . 70.0 mt -119.97 120.16 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.44 133.08 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 pttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 59.3 m-85 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.36 36.28 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.1 p90 -136.29 136.57 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 p -118.32 149.53 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.1 m -128.03 176.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -172.42 141.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.29 140.01 3.2 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.88 -48.6 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -110.7 -55.52 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 30' ' ' ILE . 37.3 mm -97.13 86.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -66.51 138.24 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 52' ' ' ARG . 16.2 mt -142.88 161.18 38.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 25' ' ' VAL . 85.5 t -75.67 115.23 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -69.95 -58.4 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -145.54 172.75 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -145.74 122.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -50.76 143.37 14.89 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -4.91 15.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.17 38.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.46 -129.5 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -17.73 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -79.98 -44.62 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.28 -47.75 84.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -57.12 -29.17 63.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.81 58.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.38 41.06 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.548 HG21 HD11 ' A' ' 14' ' ' ILE . 65.3 t -108.72 143.76 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -125.58 166.42 16.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.82 121.34 26.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.7 21.7 6.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.58 ' OD2' HD13 ' A' ' 83' ' ' LEU . 10.0 t0 -100.58 136.16 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.836 ' HA ' HD23 ' A' ' 32' ' ' LEU . 19.5 ttm180 -90.4 143.64 26.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 mt -109.86 124.82 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -90.28 -51.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -127.13 149.7 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 79' ' ' VAL . 27.4 t -132.9 118.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 54.16 39.84 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.67 24.95 76.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 m -125.74 128.56 47.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.1 tpt -67.78 116.03 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 61' ' ' VAL . 25.2 m -132.6 47.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -81.95 -34.0 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -128.59 50.78 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 p -123.09 154.66 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -69.07 139.74 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.513 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.1 t-160 -42.99 -44.27 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.775 ' H ' HD12 ' A' ' 67' ' ' LEU . 5.0 mp -53.09 -60.68 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.36 -45.51 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 72' ' ' LEU . 92.2 t -64.84 -45.5 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 66' ' ' HIS . 55.0 t -45.77 -55.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -47.95 -36.75 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 69' ' ' VAL . 33.4 mt -65.6 -44.45 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 79' ' ' VAL . 41.2 mt -68.32 -48.01 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HD2' HG12 ' A' ' 70' ' ' VAL . 27.1 mttm -47.29 -63.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.9 p -73.8 123.68 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' ALA . . . 115.21 112.79 2.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -36.17 -47.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -128.45 157.78 40.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG2' HG13 ' A' ' 56' ' ' VAL . 5.5 p -125.26 119.85 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.47 106.67 11.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.42 141.12 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 95.81 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' OD2' ' A' ' 51' ' ' ASP . 6.4 mt -90.34 141.92 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 8' ' ' VAL . 37.9 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 8' ' ' VAL . 14.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.772 ' OE1' HG21 ' A' ' 82' ' ' THR . 10.0 pt20 -81.16 143.74 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -116.6 169.48 9.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.29 130.65 56.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -133.78 136.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.68 127.0 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.589 HD11 HG21 ' A' ' 47' ' ' VAL . 27.3 mt -120.77 132.68 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LYS . 28.5 pt20 -113.54 123.44 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' GLN . 32.2 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.943 0.402 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.01 -49.91 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 36' ' ' VAL . 8.1 p90 -84.03 139.35 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 p -116.65 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 66' ' ' HIS . 30.1 m -129.07 145.84 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 t -143.16 144.02 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.76 164.16 12.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -107.1 -48.78 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -110.91 -48.66 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.0 mm -106.78 93.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.2 t -68.98 137.62 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 51' ' ' ASP . 22.0 mt -142.98 151.82 41.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.91 103.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.17 -62.18 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -147.46 159.86 43.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 23' ' ' PHE . 97.2 t -137.8 109.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 31.6 ttm-85 -36.72 142.05 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.76 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.48 4.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.43 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.47 -107.87 3.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.57 -48.12 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.601 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -58.41 -51.66 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 tpp -50.02 -54.7 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -43.11 -52.42 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' HG23 ' A' ' 12' ' ' VAL . . . -63.18 -28.98 70.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.6 41.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' ' HB1' ' A' ' 42' ' ' ALA . 24.5 t -109.71 141.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -150.08 178.32 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.48 148.63 49.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.26 -24.43 32.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.628 ' O ' HD23 ' A' ' 32' ' ' LEU . 17.6 m-20 -63.78 148.22 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.813 0.34 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 19.5 ttm105 -115.8 135.21 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.73 130.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -105.42 -54.78 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -118.22 158.42 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 81' ' ' LEU . 58.9 t -150.52 110.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.78 32.67 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.73 -34.82 4.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.9 m -71.41 117.61 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -76.46 88.78 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' VAL . 28.1 m -94.38 97.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 p -121.26 -37.44 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -118.64 65.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 m -145.26 179.85 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.5 m -95.15 162.84 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.661 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 t-160 -64.28 -57.54 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.7 tt -36.57 -43.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.61 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 65' ' ' SER . 39.8 t -49.41 -29.04 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 66' ' ' HIS . 91.4 t -60.83 -62.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -47.1 -45.09 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.51 -35.25 52.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.482 HG12 HG21 ' A' ' 79' ' ' VAL . 50.8 mt -79.8 -44.03 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -42.2 -48.74 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -71.67 118.94 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.63 4.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.52 -58.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -105.16 176.46 5.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.482 HG21 HG12 ' A' ' 73' ' ' ILE . 11.9 p -146.42 138.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.555 HD11 ' HZ ' ' A' ' 23' ' ' PHE . 71.3 mt -108.08 147.4 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' OE1' ' A' ' 9' ' ' GLN . 92.8 m -112.44 101.36 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 51' ' ' ASP . 11.1 mt -102.29 134.78 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD23 ' C ' ' A' ' 84' ' ' LEU . 5.8 tt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.715 0.293 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -116.42 141.4 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -121.21 165.92 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.66 128.09 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.02 147.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.4 mt -121.2 136.88 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 47' ' ' VAL . 21.1 mt -136.35 128.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 153.54 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 21' ' ' PHE . 22.1 mtmm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 36.5 m-85 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.93 -19.13 63.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 21' ' ' PHE . 5.0 p90 -94.5 145.3 24.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 p -127.51 165.74 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 66' ' ' HIS . 15.4 m -135.68 166.39 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 p -167.11 123.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 162.3 177.43 35.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -127.61 -43.95 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -108.48 -37.91 5.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.663 HG23 ' HE ' ' A' ' 52' ' ' ARG . 28.1 mm -121.83 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.8 128.5 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 52' ' ' ARG . 63.8 mt -142.2 129.28 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 36' ' ' VAL . 21.0 t -46.41 106.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.37 -57.37 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -141.87 167.98 20.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' HG11 ' A' ' 33' ' ' VAL . 69.1 t -146.12 110.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 6.2 ttt85 -38.65 140.64 0.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.79 -4.65 14.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.26 39.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.27 -156.77 32.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.17 -22.7 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.11 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttm -52.77 -54.94 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -56.49 -30.95 63.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.76 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.25 43.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 14' ' ' ILE . 90.4 t -124.31 136.35 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -136.39 171.93 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.09 147.42 52.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.16 23.1 45.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB3' HD22 ' A' ' 83' ' ' LEU . 4.1 m-20 -101.57 130.47 47.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HE ' HG23 ' A' ' 30' ' ' ILE . 35.9 ttt-85 -107.6 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt -81.91 133.27 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -103.38 -48.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' CA ' ' A' ' 60' ' ' MET . 5.7 tptt -117.74 149.1 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.13 107.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 62.42 26.9 16.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.32 -9.59 75.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -102.78 103.17 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.481 ' CA ' ' HD2' ' A' ' 55' ' ' LYS . 3.9 ptm -52.83 130.62 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.589 HG11 HG22 ' A' ' 69' ' ' VAL . 17.1 m -116.47 26.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -56.87 -62.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -91.83 18.91 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -94.67 164.78 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.1 m -100.0 172.43 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.5 t60 -55.89 -60.86 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.7 mt -41.64 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.36 -55.93 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 HG11 ' A' ' 61' ' ' VAL . 55.1 t -53.04 -41.59 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 66' ' ' HIS . 28.2 t -56.48 -61.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -40.63 -38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.91 -35.33 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' VAL . 51.9 mt -65.0 -57.96 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 mtpm? -43.19 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -50.31 92.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LYS . . . 114.45 120.0 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.11 -39.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -117.43 169.35 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.4 p -143.42 124.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.27 103.78 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.16 152.3 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -117.82 105.31 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.3 mt -97.68 151.9 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 8' ' ' VAL . 8.6 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' OE1' HD12 ' A' ' 84' ' ' LEU . 13.3 pt20 -127.27 162.93 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -140.81 152.18 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -96.95 107.93 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.24 129.6 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.93 119.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.09 114.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.404 ' CD ' ' H ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -98.04 142.87 29.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.34 25.5 8.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 8.2 p90 -129.71 128.68 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -105.61 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 66' ' ' HIS . 2.4 m -140.64 170.35 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.443 ' CB ' ' NE2' ' A' ' 34' ' ' GLN . 1.7 t -164.69 138.89 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.97 125.87 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.83 -70.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -90.8 -36.6 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.34 96.27 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -83.57 135.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -144.23 148.89 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.66 100.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.443 ' NE2' ' CB ' ' A' ' 26' ' ' SER . 2.9 tp60 -58.05 -58.6 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -147.8 164.51 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.6 t -140.11 121.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.5 ttm-85 -49.35 140.57 12.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.9 Cg_endo -69.75 82.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.37 34.43 8.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.63 -106.55 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -35.21 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.24 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 ttm -67.4 -47.2 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.77 -22.3 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.06 -21.64 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.39 42.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.6 t -116.48 140.45 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -140.72 157.57 45.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -48.71 129.53 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 53.53 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -136.78 109.16 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.828 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 14.2 ttp-105 -81.93 132.49 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mt -92.16 138.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.8 mt -110.74 -40.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -132.48 151.76 51.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 HG22 HD23 ' A' ' 81' ' ' LEU . 47.8 t -147.48 111.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 53.98 31.45 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.34 15.95 65.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.514 HG21 HD11 ' A' ' 72' ' ' LEU . 26.9 m -113.51 134.31 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 ttm -89.44 102.8 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.7 m -112.64 38.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 p -68.93 -25.34 64.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -33.39 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.65 159.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -73.07 170.03 15.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.581 ' CD2' HG23 ' A' ' 25' ' ' VAL . 2.4 t-80 -66.42 -51.61 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -51.01 -40.16 57.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.04 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.12 -52.49 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 73' ' ' ILE . 77.7 t -41.36 -50.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -46.22 -49.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 59' ' ' THR . 16.8 mt -66.88 -31.84 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 70' ' ' VAL . 61.2 mt -65.18 -45.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 pttm -95.66 58.56 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -121.18 -37.68 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.79 -179.17 16.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.26 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -124.43 174.81 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.28 134.12 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.83 110.32 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 32.8 mt -107.46 133.83 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -98.16 97.28 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 51' ' ' ASP . 3.7 mt -99.85 138.82 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.444 HD12 ' OE1' ' A' ' 9' ' ' GLN . 4.1 tt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.82 0.343 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -101.68 160.05 14.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -112.73 141.53 46.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.05 129.86 49.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 81' ' ' LEU . 9.6 p -138.67 149.2 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -140.08 123.09 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 42' ' ' ALA . 24.7 mt -103.7 137.94 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -116.49 135.68 53.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.76 43.04 1.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.54 ' HZ ' HD13 ' A' ' 73' ' ' ILE . 5.6 p90 -137.64 138.07 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -122.72 140.94 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 66' ' ' HIS . 26.7 m -124.62 177.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -174.47 152.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.28 135.79 3.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.28 -74.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.894 ' NH2' HD11 ' A' ' 30' ' ' ILE . 2.9 tmm_? -56.93 -49.36 75.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.894 HD11 ' NH2' ' A' ' 29' ' ' ARG . 5.3 mt -121.5 167.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.522 ' H ' HG22 ' A' ' 30' ' ' ILE . 39.8 t -130.14 115.4 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 52' ' ' ARG . 18.6 mt -120.71 154.56 35.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.419 HG21 ' CG1' ' A' ' 47' ' ' VAL . 88.0 t -68.95 107.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.78 -53.54 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -153.23 157.23 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.57 121.77 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 14.1 ttp85 -56.3 138.92 74.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.696 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.1 Cg_endo -69.77 99.29 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.43 21.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.61 -113.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -50.67 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 23' ' ' PHE . . . -54.6 -51.01 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.4 tpp -50.9 -48.02 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -50.17 -42.03 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 50.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' CG1' HG21 ' A' ' 33' ' ' VAL . 47.1 t -116.54 126.05 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.63 155.03 48.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.09 133.92 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.64 -27.71 9.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD1' HD13 ' A' ' 83' ' ' LEU . 2.0 m-20 -55.23 138.24 45.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HA ' HD23 ' A' ' 32' ' ' LEU . 20.8 ttm105 -115.49 111.66 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mt -73.06 137.53 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -112.26 -47.28 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -134.11 169.78 16.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.522 HG12 ' ND2' ' A' ' 57' ' ' ASN . 79.1 t -142.91 114.07 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' HG12 ' A' ' 56' ' ' VAL . 19.4 p30 44.66 31.36 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -35.3 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -68.11 123.19 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 ttt -74.64 134.67 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.41 20.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -68.88 120.44 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.05 33.51 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -114.44 147.07 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.8 p -61.42 166.86 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.6 t-160 -64.84 -65.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' HIS . 4.8 tp -36.46 -60.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -38.96 -49.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -72.45 -41.39 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -42.42 -48.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -55.84 -44.81 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.672 HG23 HG11 ' A' ' 79' ' ' VAL . 96.4 mt -64.18 -44.32 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -81.27 71.61 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 t -160.39 157.89 28.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.21 -151.53 4.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.49 -32.19 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 2.1 p90 -138.01 157.85 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG11 HG23 ' A' ' 73' ' ' ILE . 3.2 p -131.37 124.77 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.57 134.1 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 12' ' ' VAL . 44.0 mt -129.22 113.79 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -88.54 97.57 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.567 HD13 ' OD1' ' A' ' 51' ' ' ASP . 13.2 mt -90.15 165.07 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.0 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -92.53 142.33 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -122.39 149.18 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.6 120.97 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 81' ' ' LEU . 7.2 p -119.12 139.67 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.42 123.46 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.671 HD11 HG21 ' A' ' 47' ' ' VAL . 71.8 mt -111.64 119.55 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 134.27 41.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.04 39.59 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 24.9 p90 -138.28 132.56 31.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -109.22 153.26 24.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 27.6 m -131.22 158.04 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -148.98 144.75 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.93 154.06 6.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 -51.28 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -106.48 -68.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.815 HD11 ' HG2' ' A' ' 52' ' ' ARG . 1.8 tp -88.6 78.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 99.4 t -44.22 140.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.44 166.49 20.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 51' ' ' ASP . 59.1 t -88.26 109.72 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -65.03 -57.59 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.439 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 4.4 t -154.61 164.78 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.63 HG21 ' HA ' ' A' ' 48' ' ' LYS . 89.8 t -129.53 107.83 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 29.7 ttp180 -34.96 139.84 0.31 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.0 Cg_endo -69.78 88.47 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 43.88 5.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.1 -131.15 6.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 -50.26 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -51.99 -45.4 64.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.1 tpp -53.63 -49.98 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -41.35 -52.26 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -68.5 -32.61 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.77 49.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.671 HG21 HD11 ' A' ' 14' ' ' ILE . 57.3 t -114.7 130.76 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.63 ' HA ' HG21 ' A' ' 36' ' ' VAL . 40.2 mtpt -133.45 177.46 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 49.6 mt-10 -61.29 162.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.67 -33.94 3.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB3' HD22 ' A' ' 83' ' ' LEU . 76.0 m-20 -43.89 124.34 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.815 ' HG2' HD11 ' A' ' 30' ' ' ILE . 15.4 ttp180 -97.48 108.06 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.9 125.68 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mm -104.71 -57.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -119.42 155.47 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.93 107.88 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 62.17 30.97 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.99 -33.0 6.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -71.25 151.43 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 75.3 mtp -98.53 102.81 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 m -97.41 34.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -72.04 -34.44 68.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -102.06 -42.71 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -43.9 150.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.4 p -86.41 158.49 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 11.4 t-160 -42.47 -49.01 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -43.09 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.57 -23.11 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' SER . 22.6 t -85.03 -31.84 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 66' ' ' HIS . 96.7 t -57.09 -63.03 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 72' ' ' LEU . 6.4 ptpp? -44.73 -34.74 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 13.7 mt -69.78 -48.55 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.673 HG23 HG11 ' A' ' 79' ' ' VAL . 57.0 mt -61.99 -48.96 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 52.68 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.7 t -108.98 -47.49 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.96 -174.22 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.45 -53.81 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -123.91 176.97 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.673 HG11 HG23 ' A' ' 73' ' ' ILE . 6.3 p -145.82 138.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.55 102.84 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 12' ' ' VAL . 60.2 mt -99.61 122.46 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -96.07 98.1 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.1 mt -86.63 154.93 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.7 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.855 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt20 -109.32 144.79 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -121.55 162.12 21.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.36 122.68 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.72 137.52 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.5 130.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.51 122.9 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -101.98 119.74 39.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.1 41.6 1.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 17.6 p90 -136.64 131.97 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.909 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -111.74 135.6 52.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -117.14 168.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -169.42 146.85 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.07 122.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.47 -54.71 42.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -109.57 -54.38 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.2 mm -90.94 82.06 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.79 129.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -138.96 145.64 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.75 113.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.96 -53.67 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -153.07 164.58 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.78 113.15 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -40.15 137.3 1.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.48 45.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.91 -132.63 7.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.06 -37.7 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -59.1 -54.32 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 37.6 ttm -50.03 -53.78 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -45.0 -39.69 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.14 68.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.54 39.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.3 t -98.26 137.64 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -119.11 164.37 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -76.59 144.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.57 37.66 26.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.556 ' CG ' HD22 ' A' ' 83' ' ' LEU . 12.1 t0 -106.46 142.48 36.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 53' ' ' ILE . 32.3 tpt85 -87.04 146.29 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 33.7 mt -123.94 110.17 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -85.26 -52.04 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -115.99 152.11 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG22 HD23 ' A' ' 81' ' ' LEU . 65.8 t -138.03 116.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.64 ' HB2' HG23 ' A' ' 79' ' ' VAL . 23.5 t-20 51.1 39.55 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -119.36 128.47 54.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.2 mmm -75.86 103.56 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 61' ' ' VAL . 31.2 m -127.02 104.52 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 p -132.03 -36.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -114.24 36.41 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -116.17 161.46 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 p -85.56 138.97 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . 5.9 t-80 -38.53 -56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' HIS . 1.9 tt -38.17 -45.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -50.47 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.6 t -55.08 -41.17 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.5 t -41.69 -58.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -42.38 -46.52 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 61' ' ' VAL . 36.1 mt -58.13 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.68 -32.09 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -95.49 53.22 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.1 t -151.7 127.52 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.2 -171.49 46.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -32.27 18.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -139.88 164.23 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' HB2' ' A' ' 57' ' ' ASN . 10.1 p -129.06 119.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.45 110.1 18.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 56' ' ' VAL . 5.0 mt -109.43 146.71 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 55.1 m -108.44 96.38 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.556 HD22 ' CG ' ' A' ' 51' ' ' ASP . 17.2 mt -86.05 122.28 29.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.313 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -96.83 136.6 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -110.45 164.39 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.805 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -124.24 112.21 16.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.549 HG12 ' HB2' ' A' ' 80' ' ' ALA . 30.1 mt -114.84 117.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 47' ' ' VAL . 22.9 mt -97.91 132.74 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -121.22 139.65 53.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.28 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.3 144.52 40.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -124.6 171.07 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.199 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' OG1' ' A' ' 24' ' ' THR . 27.2 m -146.3 169.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -173.68 144.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASP . . . 120.48 100.45 1.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' GLY . 2.3 m-20 -34.58 -66.08 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -98.8 151.6 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 30' ' ' ILE . 20.7 mm 51.62 50.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -47.86 139.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.3 mt -134.35 155.46 50.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.87 109.0 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -59.98 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -143.44 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.09 121.22 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -46.53 141.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.33 33.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.41 -142.84 4.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.26 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.97 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.16 -54.61 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -58.26 -28.78 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.96 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.12 37.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 14' ' ' ILE . 50.2 t -111.61 134.97 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -129.65 166.57 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.47 128.19 35.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.22 35.96 3.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -117.37 140.34 49.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HA ' HD23 ' A' ' 32' ' ' LEU . 14.5 ttm180 -98.71 130.76 45.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.61 107.41 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.417 HG23 HG22 ' A' ' 62' ' ' THR . 80.4 mt -81.21 -60.45 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -117.34 155.5 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 79' ' ' VAL . 96.8 t -139.46 106.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.08 39.33 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.93 -34.97 4.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.6 m -75.84 113.93 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.737 ' HG2' HG23 ' A' ' 62' ' ' THR . 10.8 ttt -80.59 112.57 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 61' ' ' VAL . 15.0 m -107.63 38.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 60' ' ' MET . 38.4 p -55.51 -44.03 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -129.33 79.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -150.44 172.83 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -81.59 139.51 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' VAL . 3.9 t-160 -47.44 -65.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 9.6 tp -35.41 -55.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.12 -43.92 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' HIS . 87.3 t -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -49.02 -58.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -43.11 -48.06 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.14 -41.59 75.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -70.98 -43.26 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -47.72 -51.59 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.8 t -75.96 107.87 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.75 131.34 3.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.3 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 8.3 p90 -125.06 161.23 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -132.97 125.26 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -83.37 108.25 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.01 138.61 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -102.93 94.91 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.439 HD11 HG22 ' A' ' 47' ' ' VAL . 12.4 mt -95.81 121.94 38.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 84' ' ' LEU . 8.1 tt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.575 ' CA ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -98.1 159.58 14.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -134.81 142.75 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.8 129.88 41.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -141.54 143.08 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.0 135.38 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 47' ' ' VAL . 58.5 mt -108.38 121.14 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -104.98 131.74 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.19 35.55 3.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -132.33 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.0 p -118.41 162.78 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 m -142.76 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -146.59 145.67 30.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.89 123.61 2.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.69 -44.23 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -95.46 -55.95 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.53 107.33 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 69' ' ' VAL . 59.6 t -77.2 131.11 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -142.15 147.71 37.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.08 107.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.4 -48.11 81.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -156.1 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -139.84 123.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.486 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 tpp180 -52.38 136.69 41.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.4 Cg_endo -69.81 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.95 38.03 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.43 -150.62 24.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.11 -45.81 25.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -58.37 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.8 tpp -46.59 -52.11 14.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -53.65 -45.4 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -29.35 68.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.19 38.77 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 14' ' ' ILE . 48.3 t -109.3 122.95 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -118.27 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.91 146.71 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.77 -4.74 82.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.2 m-20 -75.27 121.1 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -93.42 130.16 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mt -88.95 133.55 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -105.36 -54.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -123.05 144.97 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.498 HG13 HD23 ' A' ' 81' ' ' LEU . 19.7 t -134.43 121.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 43.68 49.75 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.2 30.87 76.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 m -127.55 121.55 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttm -78.9 87.85 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 m -92.52 39.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -79.29 115.03 18.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 68.42 46.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -117.63 -176.58 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 p -88.23 149.93 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -58.27 -58.55 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 tp -37.76 -51.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -56.2 -44.0 79.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 31' ' ' VAL . 73.0 t -56.17 -54.75 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ILE . 97.1 t -45.81 -60.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' VAL . 13.2 tttm -34.73 -39.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.04 -47.52 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 41.5 mt -61.48 -43.36 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -90.49 46.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 t -105.91 -54.45 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.24 -175.36 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.41 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -178.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.427 HG11 HG23 ' A' ' 73' ' ' ILE . 5.8 p -147.86 133.2 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.25 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.498 HD23 HG13 ' A' ' 56' ' ' VAL . 69.8 mt -126.06 136.75 53.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 m -103.59 95.2 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' ASP . 17.6 mt -89.85 139.18 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 9' ' ' GLN . 3.9 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -127.94 149.21 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -127.06 145.69 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.59 136.33 33.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.701 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 p -145.06 126.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.5 mt -97.81 136.36 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 81' ' ' LEU . 52.5 mt -131.61 125.33 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 1.8 pm0 -101.25 150.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 pttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.09 -42.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -78.7 141.63 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 p -113.3 164.57 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' CD2' ' A' ' 66' ' ' HIS . 5.3 m -147.67 168.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -169.94 142.74 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.98 140.08 4.03 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.84 -71.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -71.14 -75.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -89.97 132.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 69' ' ' VAL . 77.2 t -100.93 124.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 51' ' ' ASP . 12.0 mt -123.12 147.62 46.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.77 115.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.35 -48.47 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.0 m -154.76 162.02 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' ARG . 69.9 t -129.48 112.35 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 11.1 tpp180 -36.77 136.69 0.58 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.8 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.42 29.25 33.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.5 -127.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 15' ' ' GLN . . . -99.72 -39.79 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.45 61.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 tpp -51.32 -48.03 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -53.14 -43.49 67.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -61.08 -31.16 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.08 39.75 1.93 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 83' ' ' LEU . 84.7 t -107.13 144.01 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -134.22 172.79 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.21 148.26 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.67 31.64 15.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.575 ' HB3' HD22 ' A' ' 83' ' ' LEU . 10.1 m-20 -114.48 110.07 19.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 ttm105 -84.45 105.54 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 81' ' ' LEU . 70.4 mt -70.39 132.42 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -97.01 -50.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.03 155.97 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.007 HG12 ' OD1' ' A' ' 57' ' ' ASN . 91.2 t -137.75 106.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 1.007 ' OD1' HG12 ' A' ' 56' ' ' VAL . 4.4 p-10 45.07 39.36 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.64 -33.6 5.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -79.8 116.01 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 mtp -76.62 121.81 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' VAL . 8.7 m -110.67 34.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -65.99 -30.43 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -121.11 -35.14 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 m -43.78 161.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.3 p -89.14 165.01 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.667 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.5 t-80 -59.77 -46.06 90.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mt -50.09 -43.43 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.25 -35.9 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 31' ' ' VAL . 99.2 t -63.27 -39.33 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 85.4 t -57.57 -65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -38.31 -46.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 69' ' ' VAL . 11.4 mt -64.19 -42.96 96.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 69' ' ' VAL . 48.1 mt -62.63 -65.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -42.68 -72.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -47.64 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.95 126.84 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.22 -48.66 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -134.85 176.15 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 57' ' ' ASN . 10.1 p -147.98 125.23 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 110.03 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -105.73 142.23 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 9' ' ' GLN . 43.9 m -111.84 97.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' ASP . 14.8 mt -83.97 139.95 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -104.3 164.03 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 82' ' ' THR . 57.9 mtm180 -142.04 175.39 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -123.29 118.08 26.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.01 139.99 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -112.53 134.75 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 47' ' ' VAL . 58.7 mt -129.07 133.88 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -114.93 153.04 31.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 pttt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.28 41.15 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 p90 -137.83 153.57 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -125.79 164.93 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 66' ' ' HIS . 4.1 m -148.78 158.39 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -92.56 -6.61 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.5 18.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.438 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ARG . 2.1 m-20 -78.21 -174.78 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 29' ' ' ARG . 18.1 ttp-105 -33.52 -64.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.9 tp -102.01 76.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' ILE . 33.9 t -32.88 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 51' ' ' ASP . 6.5 mt -119.89 149.58 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.48 106.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -62.88 -58.76 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -141.99 168.15 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 43' ' ' MET . 25.3 t -145.3 109.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -44.48 142.9 2.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.78 16.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.31 27.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.22 -153.61 7.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.55 -32.06 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 14' ' ' ILE . . . -72.76 -53.1 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.45 ' HB2' HG12 ' A' ' 36' ' ' VAL . 54.3 tpp -46.02 -47.56 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -58.17 -47.32 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.88 -23.77 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.29 37.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 14' ' ' ILE . 5.6 t -105.22 151.39 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 166.96 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.11 125.24 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . 122.57 -32.57 4.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.9 m-20 -41.55 128.09 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.77 HH21 HD21 ' A' ' 84' ' ' LEU . 23.6 ttp180 -101.4 110.02 21.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 83' ' ' LEU . 41.1 mt -83.85 121.15 36.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.853 HD11 HD23 ' A' ' 84' ' ' LEU . 2.6 mt -108.32 -49.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -117.36 158.33 24.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 95.1 t -148.52 106.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 62.8 41.61 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.97 -9.08 26.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -101.66 121.76 42.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 ttm -71.22 130.74 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.8 36.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.4 ' C ' ' CG ' ' A' ' 63' ' ' ASN . 65.1 p -73.4 148.97 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 62' ' ' THR . 0.7 OUTLIER 45.28 43.13 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.0 m -114.35 -175.0 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -102.03 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.707 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 t-160 -80.47 -37.04 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.58 -51.18 61.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.02 -68.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.72 HG12 ' CD1' ' A' ' 73' ' ' ILE . 94.2 t -40.07 -58.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' HIS . 72.1 t -40.24 -64.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -40.45 -45.85 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.99 -38.67 76.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.72 ' CD1' HG12 ' A' ' 69' ' ' VAL . 74.1 mt -60.4 -34.66 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.21 60.66 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -125.83 121.98 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.86 -124.06 23.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.3 -24.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -136.95 175.22 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.12 124.74 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.87 102.82 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.71 HD23 HG22 ' A' ' 56' ' ' VAL . 5.6 mt -106.93 138.18 43.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 10' ' ' ARG . 87.6 m -93.22 100.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 51' ' ' ASP . 37.5 mt -105.59 130.54 53.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 54' ' ' ILE . 2.0 pp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.5 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -113.13 151.83 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -120.01 146.02 46.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -89.42 111.02 21.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -112.64 152.75 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.2 mt -140.54 135.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 18.0 mt -123.99 136.47 60.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -123.97 140.19 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 73' ' ' ILE . 22.8 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.47 10.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -80.79 154.08 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -142.63 144.68 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 66' ' ' HIS . 18.8 m -115.54 144.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -130.58 8.47 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.04 117.32 4.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.85 -70.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -71.79 -42.79 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.04 100.32 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 69' ' ' VAL . 92.9 t -54.78 118.65 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.4 mt -134.74 135.75 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 36' ' ' VAL . 85.6 t -58.24 102.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.54 -54.41 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -148.01 155.58 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' A' ' 33' ' ' VAL . 98.9 t -132.89 120.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.488 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 17.5 tpp180 -44.43 136.29 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.76 -0.65 7.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.59 48.94 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.69 -165.16 14.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.65 -50.31 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.25 -61.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.2 ttm -45.59 -51.26 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -54.9 -42.37 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.08 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.1 37.35 1.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 83' ' ' LEU . 85.2 t -109.29 117.85 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -115.86 161.88 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.41 151.08 17.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.32 -20.15 35.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' CG ' HD22 ' A' ' 83' ' ' LEU . 7.0 t0 -59.61 135.1 57.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.752 0.311 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . 8.8 ttp-105 -108.21 136.78 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.15 131.75 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.93 -51.15 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -128.93 156.86 43.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 81' ' ' LEU . 72.0 t -142.86 107.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 79' ' ' VAL . 32.5 m120 57.89 32.12 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.59 -11.34 71.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 m -98.05 110.55 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.96 135.85 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.7 24.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -55.91 -44.01 77.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -127.43 51.19 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -116.36 152.06 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.1 p -82.53 132.98 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 25' ' ' VAL . 9.2 t-160 -39.82 -52.81 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.69 -59.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.89 -41.27 86.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HA ' HD12 ' A' ' 72' ' ' LEU . 95.4 t -54.39 -44.59 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.45 -55.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.68 -42.13 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 69' ' ' VAL . 28.4 mt -57.44 -46.32 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.443 HG22 ' CE2' ' A' ' 21' ' ' PHE . 27.9 mt -67.79 -17.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -94.81 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -116.77 92.52 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.48 -123.41 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.55 -40.93 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 6.4 p90 -117.49 -178.67 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 57' ' ' ASN . 14.5 p -145.93 134.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.7 114.51 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 56' ' ' VAL . 3.8 mt -111.44 153.5 26.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -112.34 96.95 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 51' ' ' ASP . 12.4 mt -86.39 150.01 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -88.47 151.43 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -124.36 173.74 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -117.06 120.53 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 83' ' ' LEU . 8.3 p -131.42 140.82 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -128.44 137.99 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mt -118.59 127.15 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -103.97 118.26 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 3.0 pptp? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 32.5 m-85 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.42 34.81 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.5 p90 -134.2 145.85 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -129.87 138.51 50.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 33' ' ' VAL . 3.7 m -116.92 173.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -165.76 145.62 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.4 121.22 2.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.2 -56.33 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.99 -38.89 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.91 78.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.5 129.66 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 51' ' ' ASP . 41.1 mt -141.64 143.67 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' HA ' HG12 ' A' ' 25' ' ' VAL . 98.9 t -66.61 116.39 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -53.17 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.424 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 51.9 m -160.29 155.92 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.2 t -128.35 139.36 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -68.19 134.39 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -1.27 8.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.647 2.231 . . . . 0.0 112.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.08 44.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.35 -137.94 7.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.93 -33.9 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -62.62 -45.6 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.6 tpp -59.13 -46.2 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -51.87 -46.53 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -28.99 68.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.97 47.64 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.76 137.01 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -135.85 167.21 21.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 36.3 mt-10 -59.48 146.93 38.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.23 34.69 9.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.64 ' CG ' HD22 ' A' ' 83' ' ' LEU . 6.1 t0 -120.03 144.38 47.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.96 156.72 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mt -125.19 125.81 69.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.84 -46.91 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 149.08 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.496 HG22 HD23 ' A' ' 81' ' ' LEU . 56.0 t -137.06 117.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.65 41.9 18.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.88 75.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -121.57 109.34 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.51 110.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG11 HG22 ' A' ' 69' ' ' VAL . 27.1 m -117.06 22.06 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 p -55.81 -26.71 47.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.5 t30 -110.33 -51.32 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' ASN . 74.3 m -37.1 154.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 t -82.05 160.55 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CD2' HG23 ' A' ' 25' ' ' VAL . 4.4 t-80 -57.79 -61.67 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -38.0 -36.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.24 -61.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 61' ' ' VAL . 56.6 t -40.47 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 74' ' ' LYS . 84.0 t -47.06 -53.79 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 72' ' ' LEU . 19.1 pttm -39.13 -46.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 71' ' ' LYS . 5.7 mt -65.75 -56.97 9.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 mt -43.84 -51.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 70' ' ' VAL . 9.3 ptpt -78.98 60.83 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -145.87 143.63 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.19 -148.88 45.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.7 -33.95 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 158.55 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.8 p -130.99 120.23 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.85 132.4 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 56' ' ' VAL . 5.8 mt -126.23 138.24 53.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -97.98 95.26 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.64 HD22 ' CG ' ' A' ' 51' ' ' ASP . 25.0 mt -86.88 144.33 27.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -99.91 154.6 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 14.8 ttm105 -135.87 144.22 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -101.43 131.56 47.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.09 130.62 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -109.88 127.89 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 21.3 mt -107.13 130.75 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' LYS . 12.9 pt20 -110.67 124.74 52.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLN . 13.8 ptpt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HE2' HG22 ' A' ' 73' ' ' ILE . 31.4 m-85 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.95 6.99 7.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CB ' HG22 ' A' ' 36' ' ' VAL . 23.5 p90 -109.52 166.19 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -142.53 172.22 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.32 158.82 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -85.93 -0.57 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.11 90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ARG . 1.4 p-10 -161.45 -176.98 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' ASP . 38.2 mtt180 -34.97 -40.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 mm -127.36 69.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ILE . 20.4 t -35.22 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.5 mt -108.91 144.73 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -57.56 108.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.41 -59.78 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -150.94 167.18 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 43' ' ' MET . 38.1 t -144.4 154.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 13.0 tpp180 -80.48 136.21 52.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.81 90.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.78 26.71 8.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.432 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.68 -151.64 26.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.27 -41.93 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.092 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.24 96.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 7.4 mmm -64.47 -57.59 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -50.65 -21.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.07 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 43.45 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.9 t -122.63 129.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -139.09 166.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.52 146.31 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.05 37.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 146.72 53.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -116.62 133.92 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.494 HG21 HD22 ' A' ' 81' ' ' LEU . 21.1 mt -101.72 114.61 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.88 -45.73 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -117.39 149.07 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.3 t -141.33 116.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.82 30.64 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.67 -18.42 52.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.7 m -100.49 131.63 46.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 ptm -74.61 128.6 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.8 m -106.26 7.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.1 p -54.55 146.1 17.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.6 47.91 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t -129.68 157.79 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.729 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.2 m -77.81 -179.02 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CD2' HG23 ' A' ' 70' ' ' VAL . 22.9 t-160 -69.51 -70.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' HIS . 7.7 tp -35.63 -58.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -42.82 -45.63 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' SER . 13.4 t -74.08 -42.92 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG23 ' CD2' ' A' ' 66' ' ' HIS . 62.0 t -48.48 -50.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -59.45 -39.79 84.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.21 -27.17 66.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.42 HG22 ' HE2' ' A' ' 21' ' ' PHE . 49.2 mt -77.7 -57.32 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -84.06 62.81 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 t -112.78 -39.84 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.66 -153.85 7.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.64 -20.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 1.1 p90 -153.19 -176.23 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 79' ' ' VAL . 7.7 p -152.19 120.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 121.35 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG21 ' A' ' 53' ' ' ILE . 41.8 mt -113.62 158.25 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 83' ' ' LEU . 93.2 m -118.99 106.69 12.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -98.86 118.64 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.802 0.334 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.4 164.3 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -134.39 129.91 36.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.79 110.28 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 p -109.03 138.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.58 118.19 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 14.7 mt -104.84 131.44 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 8.2 pt20 -102.45 123.48 46.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.51 50.76 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -135.16 139.86 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -118.96 161.53 20.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.39 162.71 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 28' ' ' ASP . 8.4 t -87.94 -7.51 57.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.64 20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ARG . 9.9 m-20 -84.27 -175.07 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' ASP . 15.5 ttm-85 -34.44 -47.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.571 HG22 ' HG ' ' A' ' 32' ' ' LEU . 28.9 mm -117.93 87.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.43 107.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HG ' HG22 ' A' ' 30' ' ' ILE . 16.1 mt -129.22 136.56 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.546 HG21 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -58.35 116.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.93 -43.48 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -148.32 158.16 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 42' ' ' ALA . 58.8 t -135.08 113.22 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -38.22 134.61 0.9 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 99.58 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.54 -107.64 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.93 -52.49 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -52.07 -44.5 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 ttm -62.45 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -44.15 -48.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -61.48 -31.66 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 40.68 0.88 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 14' ' ' ILE . 84.2 t -108.72 130.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 7.4 mptt -108.03 -175.92 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -95.5 105.16 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.59 28.5 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -102.48 154.28 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -110.01 129.68 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 56' ' ' VAL . 22.1 mt -101.71 111.93 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 84' ' ' LEU . 10.2 mt -83.5 -56.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -115.82 155.08 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 53' ' ' ILE . 90.8 t -146.34 114.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 53.95 30.17 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.98 29.11 35.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m -127.28 111.72 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.2 mtp -59.15 104.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 61' ' ' VAL . 20.2 m -131.83 104.03 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.3 -33.64 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -129.74 50.58 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -114.8 163.38 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -81.48 152.42 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' LEU . 18.6 t-160 -40.56 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -35.81 -66.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -39.24 -38.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' HIS . 59.7 t -79.44 -33.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' LEU . 90.5 t -51.97 -53.4 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -40.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.416 ' CD1' HG11 ' A' ' 61' ' ' VAL . 18.8 mt -71.13 -46.59 61.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.5 -47.94 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -84.56 53.57 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -154.12 109.27 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.07 144.55 14.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.76 -27.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -146.61 -179.68 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.15 112.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.97 102.73 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.67 141.19 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -111.57 94.96 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.34 137.01 32.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.64 ' HB2' HD11 ' A' ' 54' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.758 0.313 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.544 ' HB3' HG22 ' A' ' 82' ' ' THR . 10.5 mt-30 -108.87 161.18 15.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 46' ' ' GLY . 7.6 ptm180 -124.77 120.69 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -86.17 124.59 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 p -134.0 124.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.651 HG12 ' HB2' ' A' ' 80' ' ' ALA . 74.3 mt -102.09 124.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.516 HD11 HG21 ' A' ' 47' ' ' VAL . 18.2 mt -108.28 131.62 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.23 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 pttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.82 43.13 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -137.68 132.56 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -106.94 144.51 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 33' ' ' VAL . 16.9 m -133.78 135.86 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.3 p -82.21 110.22 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.47 125.15 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.8 t0 -175.07 -179.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' ASP . 2.9 tpt180 -34.19 -43.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -130.29 79.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 69' ' ' VAL . 24.8 t -33.19 128.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD21 ' HG3' ' A' ' 52' ' ' ARG . 9.6 mt -128.97 160.92 31.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.775 ' HA ' HG12 ' A' ' 25' ' ' VAL . 75.4 t -89.32 113.22 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -155.37 169.79 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' A' ' 42' ' ' ALA . 97.4 t -132.17 109.24 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 52.9 ttm-85 -36.61 139.56 0.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 90.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.65 37.11 7.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 -124.41 3.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.83 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.641 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -61.19 -50.2 74.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.7 ttm -54.04 -48.01 71.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -55.37 -46.44 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.695 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -62.61 -28.92 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' NH2' ' A' ' 10' ' ' ARG . . . 111.81 42.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 14' ' ' ILE . 87.4 t -106.1 143.55 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -134.95 160.25 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -73.32 141.98 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.48 39.71 5.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.452 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.2 m-20 -133.23 133.12 42.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.1 mtt180 -93.61 144.78 25.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.439 HG21 HG22 ' A' ' 56' ' ' VAL . 17.8 mt -111.66 126.3 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mm -99.17 -32.99 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -126.44 153.34 45.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.865 HG12 ' OD1' ' A' ' 57' ' ' ASN . 45.5 t -150.46 120.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.865 ' OD1' HG12 ' A' ' 56' ' ' VAL . 8.8 p-10 42.3 46.04 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.475 ' CA ' ' HD3' ' A' ' 55' ' ' LYS . . . 82.28 -28.55 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' VAL . 56.5 m -92.43 128.24 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 mtm -77.88 143.14 38.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 69' ' ' VAL . 27.2 m -122.01 36.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -70.78 140.59 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 44.44 41.37 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 p -118.71 178.07 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 69' ' ' VAL . 59.2 m -110.05 171.96 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.9 t60 -62.14 -37.83 86.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.52 -58.58 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.13 -59.54 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 65' ' ' SER . 42.7 t -41.14 -37.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 66' ' ' HIS . 49.8 t -65.05 -67.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' VAL . 7.4 tttm -36.66 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' VAL . 43.9 mt -75.13 -44.61 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' VAL . 95.2 mt -64.15 -54.02 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -41.44 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 m -42.04 103.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.88 145.07 7.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.95 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -148.36 169.64 19.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.775 HG23 ' HB3' ' A' ' 57' ' ' ASN . 14.5 p -140.15 141.44 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -99.36 115.51 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.45 HD23 HG13 ' A' ' 56' ' ' VAL . 9.6 mt -106.01 136.68 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.544 HG22 ' HB3' ' A' ' 9' ' ' GLN . 84.9 m -106.65 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 83' ' ' LEU . 4.9 mt -83.0 132.07 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 84' ' ' LEU . 1.3 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -125.02 138.26 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -116.59 141.26 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.62 131.49 38.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 47' ' ' VAL . 13.5 p -132.14 139.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.21 126.22 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 45' ' ' ALA . 28.4 mt -108.66 124.87 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' LYS . 1.4 pt20 -114.34 127.67 55.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.2 mtmt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' HG22 ' A' ' 73' ' ' ILE . 25.0 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.48 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 25.9 p90 -136.84 125.41 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 p -108.65 137.87 45.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.463 ' HB ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.55 173.25 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 p -168.21 132.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.87 141.14 3.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.18 -75.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 30' ' ' ILE . 57.3 ttp180 -62.7 -73.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -95.99 138.34 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 69' ' ' VAL . 61.8 t -102.28 112.64 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 51' ' ' ASP . 7.8 mt -109.7 148.02 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.86 118.06 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -76.76 -51.35 11.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -152.83 150.61 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' ARG . 87.2 t -124.54 105.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.444 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 18.8 tpp180 -36.06 135.97 0.52 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -69.74 82.48 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.75 46.02 2.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.08 -129.46 6.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.79 -30.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -76.57 -34.46 58.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.8 ttm -68.44 -43.36 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -72.81 -29.09 62.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -64.87 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.66 25.74 2.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 83' ' ' LEU . 61.0 t -113.27 134.53 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 -178.05 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.9 152.52 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.81 34.09 71.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.552 ' OD2' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -104.84 108.2 19.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -85.4 119.91 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.42 137.84 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.23 -48.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.47 155.95 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.65 103.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 11.2 t-20 48.9 29.12 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.68 -43.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -70.56 107.58 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.4 ttm -71.69 108.25 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' THR . 33.5 m -96.69 21.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -36.63 -44.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 11.5 p-10 -132.17 73.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -141.77 140.42 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -62.22 156.94 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 70' ' ' VAL . 20.6 t-160 -47.88 -59.02 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.0 mt -39.9 -57.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.5 -37.85 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 31' ' ' VAL . 46.5 t -78.44 -35.2 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 66' ' ' HIS . 93.2 t -59.51 -48.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -60.67 -39.54 88.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.62 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.751 HG23 HG11 ' A' ' 79' ' ' VAL . 39.8 mt -70.97 -50.47 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.5 -50.6 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -56.96 123.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.24 153.4 27.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.28 91.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.13 -176.25 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.751 HG11 HG23 ' A' ' 73' ' ' ILE . 4.6 p -154.99 133.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . . . -92.85 127.44 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -125.9 137.49 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 m -99.41 106.85 18.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.552 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.3 mt -99.39 138.43 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.44 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -113.35 152.16 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -100.41 103.68 15.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.85 141.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 80' ' ' ALA . 10.0 mm -119.71 138.3 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.5 mt -135.91 146.31 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.4 pm0 -121.57 150.45 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 pttp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE1' HG12 ' A' ' 79' ' ' VAL . 42.0 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.26 -51.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.547 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.421 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.2 p90 -81.2 132.13 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -118.97 150.71 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG23 ' ND1' ' A' ' 66' ' ' HIS . 29.0 m -122.68 144.85 30.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -130.39 3.89 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.8 118.02 5.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.69 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -42.97 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mm -121.62 91.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 69' ' ' VAL . 77.1 t -47.09 112.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' ASP . 12.8 mt -128.28 148.38 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.22 114.25 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -86.33 -44.24 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -146.16 153.9 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -136.6 123.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' CD ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -55.56 133.56 71.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.61 2.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.466 ' H ' ' CD ' ' A' ' 37' ' ' ARG . . . -162.07 39.09 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.66 -150.8 23.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -94.88 -36.54 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -61.77 -53.78 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.9 tpp -44.51 -53.04 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.95 -37.05 42.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.51 65.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.81 24.37 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -89.86 126.18 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -123.7 167.83 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.96 123.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.87 -0.92 15.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.6 m-20 -81.52 132.06 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -102.89 140.37 37.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 81' ' ' LEU . 13.2 mt -109.45 122.63 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.45 -46.2 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -116.77 142.35 47.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.866 HG22 HD23 ' A' ' 81' ' ' LEU . 67.6 t -139.95 106.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m120 62.93 33.14 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.11 -23.75 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -95.93 116.91 29.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptm -66.27 136.11 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.437 ' HB ' HG22 ' A' ' 69' ' ' VAL . 19.0 m -113.62 9.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -49.26 133.33 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 55.52 48.16 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -129.32 142.87 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' HIS . 26.5 p -62.34 135.36 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 25' ' ' VAL . 2.7 t60 -37.09 -49.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -50.08 -61.01 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -43.63 -40.81 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 31' ' ' VAL . 38.8 t -63.68 -53.48 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -38.81 -50.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -41.45 -42.78 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.43 -39.79 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.91 -68.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -39.91 -52.37 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -44.92 102.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 164.06 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.76 -52.44 56.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -105.85 172.16 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.402 HG12 ' CE1' ' A' ' 21' ' ' PHE . 2.2 p -138.34 124.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -81.56 137.05 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.045 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.866 HD23 HG22 ' A' ' 56' ' ' VAL . 20.4 mt -135.62 156.09 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -128.61 101.92 6.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -93.89 147.7 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.911 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.0 p . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.784 0.326 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.99 159.16 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -126.81 144.72 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -96.51 129.44 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.87 137.67 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.57 119.94 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 47' ' ' VAL . 32.2 mt -103.56 109.65 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -98.89 117.77 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.21 37.53 2.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -138.27 131.07 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLN . 52.6 p -108.02 142.01 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.5 m -125.04 175.03 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -168.76 155.13 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.79 135.61 4.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -75.35 -70.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -66.11 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.687 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -97.62 138.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 HD12 ' A' ' 53' ' ' ILE . 93.6 t -102.68 133.89 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -129.52 156.32 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 25' ' ' VAL . 60.3 t -78.6 104.65 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 54.7 tp60 -61.16 -62.19 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -139.1 165.2 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 t -139.51 110.76 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' VAL . 21.1 tpp180 -37.9 135.04 0.82 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.72 44.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.98 -130.95 6.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.91 -56.75 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.82 -46.06 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.7 tpp -62.6 -48.54 78.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -53.55 -29.08 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.02 -21.9 36.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.28 47.55 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 48' ' ' LYS . 97.3 t -102.07 160.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.37 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 47' ' ' VAL . 18.6 mmmt -147.41 168.15 22.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -81.89 136.74 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.62 17.62 25.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.746 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -95.73 112.11 23.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 32' ' ' LEU . 21.5 ttp85 -80.36 114.29 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 31' ' ' VAL . 16.3 mt -76.37 131.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.06 -46.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 13.0 ttmm -124.14 157.91 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.641 HG12 ' ND2' ' A' ' 57' ' ' ASN . 54.2 t -139.85 105.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.641 ' ND2' HG12 ' A' ' 56' ' ' VAL . 22.8 p30 45.72 37.53 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.54 6.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -76.41 115.45 16.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.167 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 mmm -79.17 110.44 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.61 21.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -57.7 -19.15 25.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.23 -33.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m -51.98 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.82 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.4 t -119.56 170.09 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -47.82 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -45.72 -50.38 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.09 -25.65 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 65' ' ' SER . 24.5 t -84.9 -44.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.71 -45.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -61.87 -35.84 79.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 69' ' ' VAL . 9.8 mt -71.65 -45.28 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.746 HG23 HG11 ' A' ' 79' ' ' VAL . 95.8 mt -63.17 -45.75 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 38.8 mtpt -65.53 -71.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.2 t -37.48 107.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' TYR . . . 111.57 123.56 4.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -35.67 -34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLY . 1.5 p90 -138.29 178.23 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 73' ' ' ILE . 8.1 p -149.32 136.41 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.55 123.44 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.11 138.96 52.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -104.33 99.93 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 51' ' ' ASP . 10.0 mt -87.88 127.27 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 p -69.68 159.19 33.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 p -113.52 106.64 14.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.22 128.7 2.02 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 m -40.9 109.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -69.35 107.44 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.8 -165.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.4 p -111.59 124.29 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.7 142.86 50.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -118.98 161.0 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.6 p -105.28 123.49 47.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.3 p -122.01 130.75 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.1 134.19 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.519 ' CG2' ' HB1' ' A' ' 41' ' ' ALA . 8.1 mt -117.49 128.51 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -105.75 118.46 36.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -41.62 121.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.92 -43.99 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -112.37 61.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 49.35 49.54 19.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 137.19 167.81 11.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -76.69 -175.17 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.97 31.57 2.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.441 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.0 p90 -137.68 153.67 49.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.885 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.4 p -141.12 146.11 36.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 33' ' ' VAL . 29.5 m -123.17 178.26 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -171.0 129.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.8 142.1 3.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -73.89 -70.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -80.55 -65.78 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.7 pp -89.86 128.55 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG1' HD12 ' A' ' 53' ' ' ILE . 86.2 t -106.61 124.22 62.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.147 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' ARG . 13.9 mt -132.22 145.02 51.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' HA ' HG12 ' A' ' 25' ' ' VAL . 43.8 t -58.67 109.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -70.16 -58.23 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.3 m -131.16 167.43 19.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 t -145.69 122.87 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -48.24 145.75 5.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -1.33 8.3 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.55 27.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.62 173.13 50.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.519 ' HB1' ' CG2' ' A' ' 14' ' ' ILE . . . -52.83 -26.49 14.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -74.45 -49.55 21.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.9 tpp -57.77 -43.32 85.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -14.73 61.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.66 -31.28 21.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.057 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.16 33.79 2.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.542 ' CG1' HG21 ' A' ' 33' ' ' VAL . 98.4 t -102.24 110.95 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -107.44 161.28 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.92 121.75 14.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.26 40.48 1.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.433 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.06 108.16 13.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.789 0.328 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.564 ' CA ' HD23 ' A' ' 32' ' ' LEU . 12.2 ttp180 -73.69 129.55 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.491 HD12 ' CG1' ' A' ' 31' ' ' VAL . 23.5 mt -83.5 127.16 40.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.0 mm -100.6 -53.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -124.27 141.91 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 HD23 ' A' ' 81' ' ' LEU . 58.4 t -134.64 102.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 55.38 44.3 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.21 13.76 81.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.55 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 m -121.74 103.36 8.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 mtp -61.62 119.46 8.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -116.88 26.12 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.0 p -57.39 -28.54 63.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.8 -33.8 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.1 t -39.08 158.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . 20.0 m -92.83 153.58 18.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' VAL . 19.8 t-160 -37.35 -65.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 16.5 mt -34.95 -59.7 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -51.06 -41.74 60.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.472 HG21 HG21 ' A' ' 31' ' ' VAL . 25.4 t -66.6 -44.57 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.9 t -52.77 -63.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -49.25 -40.51 34.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 69' ' ' VAL . 51.2 mt -58.71 -41.66 86.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -66.47 -22.21 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.52 19.51 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -115.96 106.38 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.29 149.41 24.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.43 -54.26 18.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.764 0.316 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 3.9 p90 -107.42 179.75 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 79' ' ' VAL . 7.5 p -150.78 118.55 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.52 107.4 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.51 HD23 HG22 ' A' ' 56' ' ' VAL . 22.1 mt -109.17 132.64 53.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.3 m -102.63 98.39 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.1 mt -87.96 150.16 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 tt -120.07 126.06 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.46 126.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.501 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.3 p -114.33 168.63 9.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.8 t -78.75 156.44 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 73.5 p -159.16 119.69 3.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.36 163.36 33.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -19.39 35.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 90.9 p -96.18 145.59 25.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -52.15 -23.21 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 24.5 m 37.62 42.48 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -88.29 155.42 19.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.88 94.64 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -72.56 -47.84 44.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 t -134.7 129.87 35.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 120.06 2.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 84' ' ' LEU . 14.5 p -119.48 133.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -103.35 133.32 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -107.88 157.27 18.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -114.37 107.5 15.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 13' ' ' ILE . 7.2 p -103.33 157.1 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.494 ' N ' HG22 ' A' ' 12' ' ' VAL . 87.4 mt -133.93 127.08 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.548 HD11 HG21 ' A' ' 47' ' ' VAL . 70.0 mt -119.97 120.16 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -102.44 133.08 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 10.0 pttp -62.29 120.07 10.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -90.87 179.32 5.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.72 -30.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -87.62 -32.01 19.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' PHE . . . 98.85 158.61 29.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 59.3 m-85 -35.97 151.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.903 0.383 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.36 36.28 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.477 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 7.1 p90 -136.29 136.57 39.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.952 0.406 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 p -118.32 149.53 41.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.1 m -128.03 176.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -172.42 141.31 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.29 140.01 3.2 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -80.88 -48.6 12.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -110.7 -55.52 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 30' ' ' ILE . 37.3 mm -97.13 86.8 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.6 t -66.51 138.24 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.836 HD23 ' HA ' ' A' ' 52' ' ' ARG . 16.2 mt -142.88 161.18 38.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.44 ' HA ' HG12 ' A' ' 25' ' ' VAL . 85.5 t -75.67 115.23 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -69.95 -58.4 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 p -145.54 172.75 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -145.74 122.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -50.76 143.37 14.89 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.625 0.726 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -4.91 15.03 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.311 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -167.17 38.67 0.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.46 -129.5 2.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.46 -17.73 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -79.98 -44.62 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttm -60.28 -47.75 84.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -57.12 -29.17 63.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.73 -20.81 58.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.38 41.06 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.548 HG21 HD11 ' A' ' 14' ' ' ILE . 65.3 t -108.72 143.76 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.363 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -125.58 166.42 16.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -81.82 121.34 26.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 111.7 21.7 6.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.58 ' OD2' HD13 ' A' ' 83' ' ' LEU . 10.0 t0 -100.58 136.16 40.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.817 0.342 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.836 ' HA ' HD23 ' A' ' 32' ' ' LEU . 19.5 ttm180 -90.4 143.64 26.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.8 mt -109.86 124.82 66.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.0 mt -90.28 -51.7 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -127.13 149.7 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 79' ' ' VAL . 27.4 t -132.9 118.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 54.16 39.84 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.67 24.95 76.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.7 m -125.74 128.56 47.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 111.133 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.1 tpt -67.78 116.03 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 61' ' ' VAL . 25.2 m -132.6 47.25 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.4 p -81.95 -34.0 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -128.59 50.78 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.2 p -123.09 154.66 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.1 m -69.07 139.74 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.513 ' O ' HG23 ' A' ' 70' ' ' VAL . 6.1 t-160 -42.99 -44.27 4.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.775 ' H ' HD12 ' A' ' 67' ' ' LEU . 5.0 mp -53.09 -60.68 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.36 -45.51 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 72' ' ' LEU . 92.2 t -64.84 -45.5 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 66' ' ' HIS . 55.0 t -45.77 -55.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.9 mtpt -47.95 -36.75 13.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 69' ' ' VAL . 33.4 mt -65.6 -44.45 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 79' ' ' VAL . 41.2 mt -68.32 -48.01 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HD2' HG12 ' A' ' 70' ' ' VAL . 27.1 mttm -47.29 -63.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.9 p -73.8 123.68 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' ALA . . . 115.21 112.79 2.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -36.17 -47.02 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.078 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -128.45 157.78 40.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.431 ' CG2' HG13 ' A' ' 56' ' ' VAL . 5.5 p -125.26 119.85 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.47 106.67 11.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mt -101.42 141.12 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.5 m -109.9 95.81 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD13 ' OD2' ' A' ' 51' ' ' ASP . 6.4 mt -90.34 141.92 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 8' ' ' VAL . 37.9 tp -122.3 135.52 54.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.77 148.75 38.46 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.521 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.0 p -43.97 155.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.824 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 88' ' ' SER . 52.6 m -94.7 165.15 12.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 87' ' ' SER . 39.6 t -36.05 123.69 0.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.44 83.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.431 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 95.3 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.8 p -150.26 145.1 26.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t -96.39 133.82 40.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -113.52 117.91 32.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -118.78 129.37 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.14 65.81 0.56 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -45.78 111.8 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -102.55 103.72 14.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.68 -157.66 15.92 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' O ' HG13 ' A' ' 8' ' ' VAL . 14.8 p -123.62 128.12 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.772 ' OE1' HG21 ' A' ' 82' ' ' THR . 10.0 pt20 -81.16 143.74 32.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -116.6 169.48 9.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -116.29 130.65 56.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -133.78 136.72 53.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -121.68 127.0 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.589 HD11 HG21 ' A' ' 47' ' ' VAL . 27.3 mt -120.77 132.68 69.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' LYS . 28.5 pt20 -113.54 123.44 50.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' GLN . 32.2 pttt -35.46 148.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -127.42 -43.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -131.82 84.2 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 40.11 40.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.73 161.13 11.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -75.1 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.01 -49.91 0.9 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.579 ' HB2' HG22 ' A' ' 36' ' ' VAL . 8.1 p90 -84.03 139.35 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.9 p -116.65 155.29 29.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 66' ' ' HIS . 30.1 m -129.07 145.84 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.1 t -143.16 144.02 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 153.76 164.16 12.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -107.1 -48.78 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.762 0.315 . . . . 0.0 110.823 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -110.91 -48.66 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.0 mm -106.78 93.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 98.2 t -68.98 137.62 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 51' ' ' ASP . 22.0 mt -142.98 151.82 41.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.91 103.47 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.17 -62.18 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 p -147.46 159.86 43.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 23' ' ' PHE . 97.2 t -137.8 109.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 31.6 ttm-85 -36.72 142.05 0.36 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.552 0.691 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.2 Cg_endo -69.76 89.5 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.347 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.5 50.48 4.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.43 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.47 -107.87 3.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -119.57 -48.12 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.601 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -58.41 -51.66 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 21.7 tpp -50.02 -54.7 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -43.11 -52.42 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB1' HG23 ' A' ' 12' ' ' VAL . . . -63.18 -28.98 70.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.6 41.07 0.88 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' ' HB1' ' A' ' 42' ' ' ALA . 24.5 t -109.71 141.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -150.08 178.32 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.48 148.63 49.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.26 -24.43 32.27 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.628 ' O ' HD23 ' A' ' 32' ' ' LEU . 17.6 m-20 -63.78 148.22 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.813 0.34 . . . . 0.0 110.852 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 19.5 ttm105 -115.8 135.21 54.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.6 mt -99.73 130.49 48.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -105.42 -54.78 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -118.22 158.42 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 81' ' ' LEU . 58.9 t -150.52 110.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 60.78 32.67 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.73 -34.82 4.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 35.9 m -71.41 117.61 13.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -76.46 88.78 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 61' ' ' VAL . 28.1 m -94.38 97.27 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 p -121.26 -37.44 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -118.64 65.53 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.1 m -145.26 179.85 7.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.5 m -95.15 162.84 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.661 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 t-160 -64.28 -57.54 9.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' ' 67' ' ' LEU . 8.7 tt -36.57 -43.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -66.61 -60.71 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 65' ' ' SER . 39.8 t -49.41 -29.04 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 66' ' ' HIS . 91.4 t -60.83 -62.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -47.1 -45.09 21.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.2 mt -52.51 -35.25 52.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.482 HG12 HG21 ' A' ' 79' ' ' VAL . 50.8 mt -79.8 -44.03 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -42.2 -48.74 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.4 t -71.67 118.94 15.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.63 4.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -39.52 -58.04 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.769 0.318 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -105.16 176.46 5.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.482 HG21 HG12 ' A' ' 73' ' ' ILE . 11.9 p -146.42 138.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.112 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.91 108.94 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.555 HD11 ' HZ ' ' A' ' 23' ' ' PHE . 71.3 mt -108.08 147.4 31.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.772 HG21 ' OE1' ' A' ' 9' ' ' GLN . 92.8 m -112.44 101.36 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 51' ' ' ASP . 11.1 mt -102.29 134.78 45.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.646 HD23 ' N ' ' A' ' 85' ' ' GLY . 5.8 tt -115.38 131.38 56.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.646 ' N ' HD23 ' A' ' 84' ' ' LEU . . . 81.76 105.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.6 p -108.89 125.46 52.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 m -53.23 144.32 16.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -76.12 -57.35 3.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.37 -83.48 0.36 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.76 12.01 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -61.07 156.89 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.4 p -68.38 171.98 6.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -159.01 171.07 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m -71.65 164.72 25.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.62 -87.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -41.3 137.48 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -59.08 -52.0 67.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.96 -154.03 24.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.5 t -144.0 117.9 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.142 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -116.42 141.4 48.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -121.21 165.92 14.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -108.66 128.09 54.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 p -125.02 147.94 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.4 mt -121.2 136.88 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.579 HD11 HG21 ' A' ' 47' ' ' VAL . 21.1 mt -136.35 128.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.53 153.54 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 21' ' ' PHE . 22.1 mtmm -67.63 144.75 55.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' HIS . 39.3 m-20 -109.08 -175.67 2.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -38.45 -31.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' ASP . 30.4 m-70 -113.28 -25.31 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.56 -152.06 17.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 16' ' ' LYS . 36.5 m-85 -72.85 111.56 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.93 -19.13 63.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 21' ' ' PHE . 5.0 p90 -94.5 145.3 24.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.964 0.411 . . . . 0.0 110.844 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.0 p -127.51 165.74 19.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.583 HG23 ' CE1' ' A' ' 66' ' ' HIS . 15.4 m -135.68 166.39 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.4 p -167.11 123.64 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 162.3 177.43 35.33 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -127.61 -43.95 1.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -108.48 -37.91 5.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.663 HG23 ' HE ' ' A' ' 52' ' ' ARG . 28.1 mm -121.83 92.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -74.8 128.5 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 52' ' ' ARG . 63.8 mt -142.2 129.28 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG11 ' CG2' ' A' ' 36' ' ' VAL . 21.0 t -46.41 106.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -58.37 -57.37 13.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.9 m -141.87 167.98 20.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.532 ' CG2' HG11 ' A' ' 33' ' ' VAL . 69.1 t -146.12 110.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 6.2 ttt85 -38.65 140.64 0.63 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.553 0.692 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.5 Cg_endo -69.79 -4.65 14.48 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.309 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.26 39.49 0.31 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.27 -156.77 32.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.17 -22.7 25.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.28 -53.11 10.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.6 ttm -52.77 -54.94 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -56.49 -30.95 63.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.76 63.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.25 43.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 HG21 HD11 ' A' ' 14' ' ' ILE . 90.4 t -124.31 136.35 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.937 0.399 . . . . 0.0 111.094 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -136.39 171.93 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -64.09 147.42 52.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.16 23.1 45.97 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.55 ' HB3' HD22 ' A' ' 83' ' ' LEU . 4.1 m-20 -101.57 130.47 47.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.802 0.334 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HE ' HG23 ' A' ' 30' ' ' ILE . 35.9 ttt-85 -107.6 116.99 32.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.8 mt -81.91 133.27 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -103.38 -48.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' CA ' ' A' ' 60' ' ' MET . 5.7 tptt -117.74 149.1 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.13 107.02 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 62.42 26.9 16.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.32 -9.59 75.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.6 m -102.78 103.17 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.776 0.322 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.481 ' CA ' ' HD2' ' A' ' 55' ' ' LYS . 3.9 ptm -52.83 130.62 33.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.589 HG11 HG22 ' A' ' 69' ' ' VAL . 17.1 m -116.47 26.54 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.2 p -56.87 -62.76 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -91.83 18.91 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.7 t -94.67 164.78 12.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.1 m -100.0 172.43 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.671 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.5 t60 -55.89 -60.86 2.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.7 mt -41.64 -58.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.36 -55.93 7.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.589 HG22 HG11 ' A' ' 61' ' ' VAL . 55.1 t -53.04 -41.59 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 66' ' ' HIS . 28.2 t -56.48 -61.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -40.63 -38.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.1 mt -71.91 -35.33 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' VAL . 51.9 mt -65.0 -57.96 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' GLY . 4.8 mtpm? -43.19 -61.03 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -50.31 92.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LYS . . . 114.45 120.0 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.11 -39.92 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -117.43 169.35 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.4 p -143.42 124.71 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.27 103.78 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -100.16 152.3 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.1 m -117.82 105.31 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.3 mt -97.68 151.9 19.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 tt -119.77 129.97 54.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.24 85.62 1.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -91.38 95.82 10.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.8 t -85.06 144.0 28.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 t -166.4 170.52 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -49.86 147.39 7.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 102.66 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -68.03 -61.19 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 77.8 p -112.68 105.67 13.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 p -143.54 128.26 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -171.11 134.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.45 -169.51 24.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.0 p -155.82 132.99 10.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -106.6 157.19 17.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.1 177.85 15.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 8' ' ' VAL . 8.6 p -121.25 119.37 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' OE1' HD12 ' A' ' 84' ' ' LEU . 13.3 pt20 -127.27 162.93 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -140.81 152.18 44.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.8 p -96.95 107.93 20.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.24 129.6 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.93 119.8 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -108.09 114.81 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' CD ' ' H ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -98.04 142.87 29.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -59.69 146.89 39.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -131.49 -40.6 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -118.27 65.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 58.28 43.77 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 136.0 -172.78 22.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -94.69 164.68 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -117.34 25.5 8.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.585 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 8.2 p90 -129.71 128.68 43.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.93 0.395 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -105.61 171.28 7.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.581 HG23 ' CD2' ' A' ' 66' ' ' HIS . 2.4 m -140.64 170.35 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' CB ' ' NE2' ' A' ' 34' ' ' GLN . 1.7 t -164.69 138.89 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.97 125.87 2.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -63.83 -70.17 0.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 0.0 110.841 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -90.8 -36.6 14.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.34 96.27 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 74.9 t -83.57 135.51 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -144.23 148.89 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.66 100.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.443 ' NE2' ' CB ' ' A' ' 26' ' ' SER . 2.9 tp60 -58.05 -58.6 7.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -147.8 164.51 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.6 t -140.11 121.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 15.5 ttm-85 -49.35 140.57 12.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 53.9 Cg_endo -69.75 82.19 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.37 34.43 8.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.63 -106.55 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -35.21 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.802 0.334 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.72 -33.24 53.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 25.8 ttm -67.4 -47.2 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.77 -22.3 61.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.06 -21.64 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.39 42.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.6 t -116.48 140.45 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.932 0.396 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -140.72 157.57 45.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -48.71 129.53 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.43 53.53 0.93 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.62 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -136.78 109.16 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.828 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 14.2 ttp-105 -81.93 132.49 35.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.7 mt -92.16 138.97 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.8 mt -110.74 -40.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -132.48 151.76 51.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 HG22 HD23 ' A' ' 81' ' ' LEU . 47.8 t -147.48 111.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 53.98 31.45 13.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.34 15.95 65.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.514 HG21 HD11 ' A' ' 72' ' ' LEU . 26.9 m -113.51 134.31 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 111.152 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.5 ttm -89.44 102.8 15.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 61' ' ' VAL . 2.7 m -112.64 38.11 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.7 p -68.93 -25.34 64.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.38 -33.39 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.65 159.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -73.07 170.03 15.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.581 ' CD2' HG23 ' A' ' 25' ' ' VAL . 2.4 t-80 -66.42 -51.61 55.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.3 mt -51.01 -40.16 57.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.04 79.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.12 -52.49 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.804 ' HA ' HD12 ' A' ' 73' ' ' ILE . 77.7 t -41.36 -50.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -46.22 -49.15 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD11 HG21 ' A' ' 59' ' ' THR . 16.8 mt -66.88 -31.84 72.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 70' ' ' VAL . 61.2 mt -65.18 -45.13 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 pttm -95.66 58.56 2.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -121.18 -37.68 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.79 -179.17 16.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.51 -53.26 31.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -124.43 174.81 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.28 134.12 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.83 110.32 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 32.8 mt -107.46 133.83 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -98.16 97.28 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 51' ' ' ASP . 3.7 mt -99.85 138.82 36.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.576 HD23 ' N ' ' A' ' 85' ' ' GLY . 4.1 tt -110.69 145.83 37.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.576 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -118.15 125.49 6.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.513 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.1 p -141.68 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.0 m -139.69 137.84 35.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.8 p -167.21 173.8 8.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.5 166.17 23.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.09 26.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -47.26 160.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.8 p -53.28 155.88 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -93.52 171.27 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -120.67 -43.94 2.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 -164.38 26.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.432 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -140.43 134.39 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 p -124.37 150.96 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.68 153.78 6.02 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.63 138.06 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.82 0.343 . . . . 0.0 111.107 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -101.68 160.05 14.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -112.73 141.53 46.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.05 129.86 49.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 81' ' ' LEU . 9.6 p -138.67 149.2 23.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -140.08 123.09 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 42' ' ' ALA . 24.7 mt -103.7 137.94 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -116.49 135.68 53.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -55.69 139.29 45.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -108.72 -56.03 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -134.99 -67.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -77.93 -38.68 44.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 145.93 -69.74 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 33.5 m-85 -147.73 152.64 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.76 43.04 1.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' HZ ' HD13 ' A' ' 73' ' ' ILE . 5.6 p90 -137.64 138.07 39.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.1 p -122.72 140.94 52.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.48 HG23 ' CD2' ' A' ' 66' ' ' HIS . 26.7 m -124.62 177.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.4 t -174.47 152.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.28 135.79 3.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -79.28 -74.84 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.894 ' NH2' HD11 ' A' ' 30' ' ' ILE . 2.9 tmm_? -56.93 -49.36 75.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.894 HD11 ' NH2' ' A' ' 29' ' ' ARG . 5.3 mt -121.5 167.14 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.522 ' H ' HG22 ' A' ' 30' ' ' ILE . 39.8 t -130.14 115.4 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' A' ' 52' ' ' ARG . 18.6 mt -120.71 154.56 35.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG21 ' CG1' ' A' ' 47' ' ' VAL . 88.0 t -68.95 107.67 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -66.78 -53.54 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -153.23 157.23 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.57 121.77 51.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 14.1 ttp85 -56.3 138.92 74.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.696 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.1 Cg_endo -69.77 99.29 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.651 2.234 . . . . 0.0 112.381 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.9 33.43 21.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -87.61 -113.58 1.06 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.33 -50.67 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB2' ' HB3' ' A' ' 23' ' ' PHE . . . -54.6 -51.01 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.4 tpp -50.9 -48.02 60.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -50.17 -42.03 50.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.34 -30.86 66.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.44 50.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' CG1' HG21 ' A' ' 33' ' ' VAL . 47.1 t -116.54 126.05 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 111.106 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -131.63 155.03 48.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -50.09 133.92 22.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.64 -27.71 9.1 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.567 ' OD1' HD13 ' A' ' 83' ' ' LEU . 2.0 m-20 -55.23 138.24 45.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.643 ' HA ' HD23 ' A' ' 32' ' ' LEU . 20.8 ttm105 -115.49 111.66 21.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.3 mt -73.06 137.53 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -112.26 -47.28 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -134.11 169.78 16.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.522 HG12 ' ND2' ' A' ' 57' ' ' ASN . 79.1 t -142.91 114.07 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.522 ' ND2' HG12 ' A' ' 56' ' ' VAL . 19.4 p30 44.66 31.36 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.77 -35.3 5.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -68.11 123.19 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.1 ttt -74.64 134.67 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 m -127.41 20.45 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.1 p -68.88 120.44 14.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.05 33.51 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -114.44 147.07 39.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.8 p -61.42 166.86 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.48 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.6 t-160 -64.84 -65.59 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 66' ' ' HIS . 4.8 tp -36.46 -60.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -38.96 -49.37 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.5 t -72.45 -41.39 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.1 t -42.42 -48.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -55.84 -44.81 78.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.1 mt -58.63 -47.48 84.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.672 HG23 HG11 ' A' ' 79' ' ' VAL . 96.4 mt -64.18 -44.32 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -81.27 71.61 8.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 t -160.39 157.89 28.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.21 -151.53 4.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.49 -32.19 10.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 2.1 p90 -138.01 157.85 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG11 HG23 ' A' ' 73' ' ' ILE . 3.2 p -131.37 124.77 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.57 134.1 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.555 ' O ' HG12 ' A' ' 12' ' ' VAL . 44.0 mt -129.22 113.79 15.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.7 m -88.54 97.57 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.567 HD13 ' OD1' ' A' ' 51' ' ' ASP . 13.2 mt -90.15 165.07 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 85' ' ' GLY . 1.8 tt -124.66 139.0 54.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.712 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -102.04 -86.44 1.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -75.38 118.66 18.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.7 p -153.47 147.64 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -93.92 162.01 14.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.45 75.6 0.74 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 159.74 52.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.306 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.4 m -127.43 83.61 2.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.7 t -59.29 165.76 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 t -158.88 147.34 18.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -133.31 128.49 35.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.72 -154.88 10.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.546 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -147.05 115.71 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.902 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 m -83.32 130.48 35.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.76 169.49 43.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 8' ' ' VAL . 11.0 p -119.45 124.52 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -92.53 142.33 27.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -122.39 149.18 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.8 t -95.6 120.97 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 81' ' ' LEU . 7.2 p -119.12 139.67 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.5 mt -112.42 123.46 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.671 HD11 HG21 ' A' ' 47' ' ' VAL . 71.8 mt -111.64 119.55 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 134.27 41.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -62.09 140.73 58.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -103.19 -50.58 3.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -109.35 42.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 64.46 35.61 9.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.75 133.74 1.68 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -66.05 172.92 3.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.04 39.59 1.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 81' ' ' LEU . 24.9 p90 -138.28 132.56 31.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.9 p -109.22 153.26 24.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' HB ' ' CG1' ' A' ' 31' ' ' VAL . 27.6 m -131.22 158.04 43.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -148.98 144.75 26.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.93 154.06 6.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.32 -51.28 5.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -106.48 -68.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.815 HD11 ' HG2' ' A' ' 52' ' ' ARG . 1.8 tp -88.6 78.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 25' ' ' VAL . 99.4 t -44.22 140.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.44 166.49 20.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.41 HG21 ' HB2' ' A' ' 51' ' ' ASP . 59.1 t -88.26 109.72 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -65.03 -57.59 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.439 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 4.4 t -154.61 164.78 38.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.63 HG21 ' HA ' ' A' ' 48' ' ' LYS . 89.8 t -129.53 107.83 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 29.7 ttp180 -34.96 139.84 0.31 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.662 0.744 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.0 Cg_endo -69.78 88.47 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 43.88 5.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -97.1 -131.15 6.89 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.19 -50.26 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB ' ' A' ' 47' ' ' VAL . . . -51.99 -45.4 64.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 16.1 tpp -53.63 -49.98 66.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -41.35 -52.26 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -68.5 -32.61 72.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.77 49.46 0.64 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.671 HG21 HD11 ' A' ' 14' ' ' ILE . 57.3 t -114.7 130.76 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.63 ' HA ' HG21 ' A' ' 36' ' ' VAL . 40.2 mtpt -133.45 177.46 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 49.6 mt-10 -61.29 162.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.67 -33.94 3.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.491 ' HB3' HD22 ' A' ' 83' ' ' LEU . 76.0 m-20 -43.89 124.34 3.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.843 0.354 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.815 ' HG2' HD11 ' A' ' 30' ' ' ILE . 15.4 ttp180 -97.48 108.06 20.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.8 mt -74.9 125.68 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.3 mm -104.71 -57.7 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm -119.42 155.47 31.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.93 107.88 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 62.17 30.97 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.99 -33.0 6.26 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.2 m -71.25 151.43 44.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 111.148 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 75.3 mtp -98.53 102.81 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 m -97.41 34.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.8 p -72.04 -34.44 68.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -102.06 -42.71 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m -43.9 150.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.4 p -86.41 158.49 19.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 11.4 t-160 -42.47 -49.01 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -43.09 75.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -66.57 -23.11 66.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 65' ' ' SER . 22.6 t -85.03 -31.84 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 66' ' ' HIS . 96.7 t -57.09 -63.03 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 72' ' ' LEU . 6.4 ptpp? -44.73 -34.74 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 13.7 mt -69.78 -48.55 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.673 HG23 HG11 ' A' ' 79' ' ' VAL . 57.0 mt -61.99 -48.96 86.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.13 52.68 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.7 t -108.98 -47.49 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.96 -174.22 13.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.45 -53.81 26.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 111.076 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -123.91 176.97 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.673 HG11 HG23 ' A' ' 73' ' ' ILE . 6.3 p -145.82 138.95 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.55 102.84 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 12' ' ' VAL . 60.2 mt -99.61 122.46 42.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 97.4 m -96.07 98.1 10.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 51' ' ' ASP . 12.1 mt -86.63 154.93 20.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.7 tp -134.94 127.55 30.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.99 71.3 0.73 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.7 p -101.8 133.93 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.71 -48.53 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.1 p 46.54 48.83 13.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.39 148.77 21.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -43.06 2.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.344 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.7 t -156.45 129.93 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 79.3 p -82.18 87.99 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -78.91 168.82 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -168.38 150.64 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.45 118.15 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -123.17 135.8 54.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 t -127.45 146.61 50.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -147.59 10.74 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.0 t -85.11 117.29 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 3.6 pt20 -109.32 144.79 37.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -121.55 162.12 21.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.36 122.68 48.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.0 p -131.72 137.52 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 72.8 mt -125.5 130.78 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mt -113.51 122.9 68.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -101.98 119.74 39.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -38.91 137.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -107.57 -70.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -118.47 -59.5 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -86.65 -36.31 18.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.559 ' O ' ' CD1' ' A' ' 21' ' ' PHE . . . 138.9 -58.73 0.61 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 20' ' ' GLY . 41.0 m-85 -152.47 150.54 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.1 41.6 1.53 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 17.6 p90 -136.64 131.97 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.924 0.393 . . . . 0.0 110.909 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.7 p -111.74 135.6 52.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 m -117.14 168.93 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -169.42 146.85 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 141.07 122.78 1.88 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.47 -54.71 42.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -109.57 -54.38 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.2 mm -90.94 82.06 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.79 129.89 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -138.96 145.64 40.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.5 t -64.75 113.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -65.96 -53.67 36.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -153.07 164.58 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 78.9 t -133.78 113.15 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -40.15 137.3 1.25 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.48 45.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.91 -132.63 7.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.06 -37.7 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.087 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -59.1 -54.32 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 37.6 ttm -50.03 -53.78 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -45.0 -39.69 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.95 -31.14 68.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 114.54 39.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.3 t -98.26 137.64 25.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -119.11 164.37 15.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -76.59 144.08 39.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.57 37.66 26.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.435 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.556 ' CG ' HD22 ' A' ' 83' ' ' LEU . 12.1 t0 -106.46 142.48 36.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' NH1' ' O ' ' A' ' 53' ' ' ILE . 32.3 tpt85 -87.04 146.29 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.424 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 33.7 mt -123.94 110.17 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.5 mt -85.26 -52.04 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -115.99 152.11 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG22 HD23 ' A' ' 81' ' ' LEU . 65.8 t -138.03 116.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.64 ' HB2' HG23 ' A' ' 79' ' ' VAL . 23.5 t-20 51.1 39.55 23.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.9 m -119.36 128.47 54.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.774 0.321 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.2 mmm -75.86 103.56 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.677 ' O ' HG23 ' A' ' 61' ' ' VAL . 31.2 m -127.02 104.52 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.2 p -132.03 -36.22 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -114.24 36.41 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 t -116.17 161.46 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.81 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 p -85.56 138.97 31.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . 5.9 t-80 -38.53 -56.9 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' HIS . 1.9 tt -38.17 -45.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.66 -50.47 64.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.6 t -55.08 -41.17 58.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 51.5 t -41.69 -58.2 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -42.38 -46.52 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.509 ' CD1' HG11 ' A' ' 61' ' ' VAL . 36.1 mt -58.13 -37.99 75.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 95.4 mt -70.68 -32.09 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -95.49 53.22 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.1 t -151.7 127.52 10.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.2 -171.49 46.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.37 -32.27 18.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.784 0.326 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -139.88 164.23 30.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.938 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' HB2' ' A' ' 57' ' ' ASN . 10.1 p -129.06 119.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.175 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.45 110.1 18.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.48 HD23 HG22 ' A' ' 56' ' ' VAL . 5.0 mt -109.43 146.71 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' A' ' 9' ' ' GLN . 55.1 m -108.44 96.38 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.556 HD22 ' CG ' ' A' ' 51' ' ' ASP . 17.2 mt -86.05 122.28 29.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.1 tt -114.04 128.92 56.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 162.79 138.73 2.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 m -120.95 130.28 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t 43.27 43.73 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -104.07 124.82 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.01 147.37 7.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 153.12 69.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.9 p -132.48 133.01 43.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 91.6 p -51.35 112.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -131.12 137.36 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -99.26 -61.93 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.96 95.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -38.11 131.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -146.63 113.78 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' HA3' HD21 ' A' ' 84' ' ' LEU . . . 137.55 148.84 5.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 p -77.01 136.61 24.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -96.83 136.6 37.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -110.45 164.39 12.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.805 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -124.24 112.21 16.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.549 HG12 ' HB2' ' A' ' 80' ' ' ALA . 30.1 mt -114.84 117.21 54.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 47' ' ' VAL . 22.9 mt -97.91 132.74 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -121.22 139.65 53.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -42.26 124.11 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.9 -67.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 tp60 -113.98 -54.49 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -125.84 49.56 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.57 -96.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -125.01 140.23 53.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -115.83 40.28 2.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -138.3 144.52 40.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.985 0.421 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.433 ' OG1' ' N ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -124.6 171.07 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.199 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' OG1' ' A' ' 24' ' ' THR . 27.2 m -146.3 169.47 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 t -173.68 144.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASP . . . 120.48 100.45 1.78 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' GLY . 2.3 m-20 -34.58 -66.08 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -98.8 151.6 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 30' ' ' ILE . 20.7 mm 51.62 50.31 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -47.86 139.1 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.3 mt -134.35 155.46 50.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -68.87 109.0 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -59.98 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -143.44 164.88 29.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.9 t -138.09 121.22 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -46.53 141.53 5.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.33 15.99 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.257 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.33 33.68 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.41 -142.84 4.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.59 -31.26 10.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.97 66.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.2 ttm -58.16 -54.61 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 pttp -58.26 -28.78 65.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.69 -30.96 67.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.12 37.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 14' ' ' ILE . 50.2 t -111.61 134.97 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.2 pttt -129.65 166.57 19.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.47 128.19 35.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 104.22 35.96 3.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -117.37 140.34 49.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.827 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HA ' HD23 ' A' ' 32' ' ' LEU . 14.5 ttm180 -98.71 130.76 45.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 50.8 mt -96.61 107.41 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.417 HG23 HG22 ' A' ' 62' ' ' THR . 80.4 mt -81.21 -60.45 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -117.34 155.5 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG13 ' CG2' ' A' ' 79' ' ' VAL . 96.8 t -139.46 106.77 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.08 39.33 30.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.93 -34.97 4.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.45 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.6 m -75.84 113.93 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.104 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.737 ' HG2' HG23 ' A' ' 62' ' ' THR . 10.8 ttt -80.59 112.57 18.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 61' ' ' VAL . 15.0 m -107.63 38.64 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.737 HG23 ' HG2' ' A' ' 60' ' ' MET . 38.4 p -55.51 -44.03 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -129.33 79.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -150.44 172.83 14.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -81.59 139.51 35.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' VAL . 3.9 t-160 -47.44 -65.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' HIS . 9.6 tp -35.41 -55.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -46.12 -43.92 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 66' ' ' HIS . 87.3 t -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -49.02 -58.64 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -43.11 -48.06 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.14 -41.59 75.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 17.4 mt -70.98 -43.26 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -47.72 -51.59 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.8 t -75.96 107.87 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.75 131.34 3.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.16 -47.3 68.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 8.3 p90 -125.06 161.23 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -132.97 125.26 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -83.37 108.25 16.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 92.5 mt -99.01 138.61 35.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.5 m -102.93 94.91 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.439 HD11 HG22 ' A' ' 47' ' ' VAL . 12.4 mt -95.81 121.94 38.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD21 ' HA3' ' A' ' 7' ' ' GLY . 8.1 tt -100.41 130.65 46.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.99 102.11 2.1 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 t -54.85 -52.23 63.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.0 t -120.19 109.8 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.5 m -84.11 145.12 28.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.08 82.35 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -131.41 149.84 52.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.0 t -102.57 92.05 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -97.55 167.69 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -152.48 120.11 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.07 50.94 4.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -55.3 -55.81 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -87.69 114.88 24.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.72 -175.94 45.01 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.428 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -120.52 125.76 74.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.575 ' CA ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -98.1 159.58 14.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -134.81 142.75 46.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -94.8 129.88 41.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -141.54 143.08 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -122.0 135.38 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 47' ' ' VAL . 58.5 mt -108.38 121.14 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -104.98 131.74 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -46.31 119.79 2.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -122.11 -46.5 2.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -98.76 47.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 58.28 47.87 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.7 153.62 8.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -54.5 147.99 13.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -121.19 35.55 3.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -132.33 143.63 50.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.0 p -118.41 162.78 17.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.6 m -142.76 153.19 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -146.59 145.67 30.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.89 123.61 2.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.69 -44.23 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -95.46 -55.95 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.3 mm -105.53 107.33 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 69' ' ' VAL . 59.6 t -77.2 131.11 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -142.15 147.71 37.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.08 107.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -62.4 -48.11 81.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -156.1 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.0 t -139.84 123.25 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.486 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 15.8 tpp180 -52.38 136.69 41.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.4 Cg_endo -69.81 94.37 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.633 2.222 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.95 38.03 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.43 -150.62 24.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.11 -45.81 25.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.9 -58.37 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 47.8 tpp -46.59 -52.11 14.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -53.65 -45.4 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -29.35 68.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.19 38.77 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 14' ' ' ILE . 48.3 t -109.3 122.95 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -118.27 176.87 5.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.91 146.71 39.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.77 -4.74 82.08 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.2 m-20 -75.27 121.1 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 ttt-85 -93.42 130.16 39.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.9 mt -88.95 133.55 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -105.36 -54.33 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -123.05 144.97 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.498 HG13 HD23 ' A' ' 81' ' ' LEU . 19.7 t -134.43 121.52 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 43.68 49.75 6.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.2 30.87 76.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 36.2 m -127.55 121.55 30.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 111.126 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttm -78.9 87.85 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 m -92.52 39.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.8 p -79.29 115.03 18.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 68.42 46.49 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.5 m -117.63 -176.58 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 p -88.23 149.93 23.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -58.27 -58.55 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.7 tp -37.76 -51.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -56.2 -44.0 79.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.668 HG21 HG21 ' A' ' 31' ' ' VAL . 73.0 t -56.17 -54.75 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ILE . 97.1 t -45.81 -60.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 70' ' ' VAL . 13.2 tttm -34.73 -39.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.7 mt -70.04 -47.52 61.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' VAL . 41.5 mt -61.48 -43.36 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? -90.49 46.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.0 t -105.91 -54.45 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.24 -175.36 14.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.538 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.45 -55.41 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.74 -178.61 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.427 HG11 HG23 ' A' ' 73' ' ' ILE . 5.8 p -147.86 133.2 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.25 129.04 35.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.498 HD23 HG13 ' A' ' 56' ' ' VAL . 69.8 mt -126.06 136.75 53.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.4 m -103.59 95.2 5.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 51' ' ' ASP . 17.6 mt -89.85 139.18 30.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 9' ' ' GLN . 3.9 tp -100.09 146.14 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -115.38 102.08 1.09 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 m -106.11 88.77 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.5 t 61.11 44.14 10.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 m -116.1 124.58 50.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.71 -170.59 18.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.425 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 89.04 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.626 2.218 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 t 47.11 44.27 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -109.81 42.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -68.44 125.48 26.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -51.94 94.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.08 137.99 5.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -67.11 149.14 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -98.55 102.22 13.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.81 -145.67 5.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -83.98 129.54 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.772 0.32 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.526 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -127.94 149.21 50.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -127.06 145.69 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.59 136.33 33.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.701 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 p -145.06 126.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.5 mt -97.81 136.36 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 81' ' ' LEU . 52.5 mt -131.61 125.33 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.466 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 1.8 pm0 -101.25 150.32 23.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 pttm -78.94 150.81 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -128.1 115.88 19.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 70.59 36.93 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 69.05 39.15 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.29 129.89 1.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.448 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -73.2 -64.49 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.09 -42.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -78.7 141.63 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.8 p -113.3 164.57 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 ' CD2' ' A' ' 66' ' ' HIS . 5.3 m -147.67 168.8 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.074 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t -169.94 142.74 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.98 140.08 4.03 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.84 -71.07 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtt-85 -71.14 -75.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -89.97 132.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 69' ' ' VAL . 77.2 t -100.93 124.95 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 51' ' ' ASP . 12.0 mt -123.12 147.62 46.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.2 t -72.77 115.6 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -74.35 -48.47 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.0 m -154.76 162.02 41.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 37' ' ' ARG . 69.9 t -129.48 112.35 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 11.1 tpp180 -36.77 136.69 0.58 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.8 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.42 29.25 33.64 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.5 -127.18 1.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 15' ' ' GLN . . . -99.72 -39.79 8.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.07 -46.45 61.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 32.4 tpp -51.32 -48.03 62.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -53.14 -43.49 67.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -61.08 -31.16 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.068 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.08 39.75 1.93 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 83' ' ' LEU . 84.7 t -107.13 144.01 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.381 . . . . 0.0 111.118 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -134.22 172.79 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -67.21 148.26 51.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.67 31.64 15.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.575 ' HB3' HD22 ' A' ' 83' ' ' LEU . 10.1 m-20 -114.48 110.07 19.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 15.8 ttm105 -84.45 105.54 15.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.53 HD13 HD22 ' A' ' 81' ' ' LEU . 70.4 mt -70.39 132.42 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.6 mm -97.01 -50.35 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.03 155.97 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.007 HG12 ' OD1' ' A' ' 57' ' ' ASN . 91.2 t -137.75 106.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 1.007 ' OD1' HG12 ' A' ' 56' ' ' VAL . 4.4 p-10 45.07 39.36 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.64 -33.6 5.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.9 m -79.8 116.01 19.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 20.0 mtp -76.62 121.81 23.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 61' ' ' VAL . 8.7 m -110.67 34.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.7 p -65.99 -30.43 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -121.11 -35.14 3.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 m -43.78 161.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.3 p -89.14 165.01 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.667 ' CD2' HG23 ' A' ' 25' ' ' VAL . 11.5 t-80 -59.77 -46.06 90.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 mt -50.09 -43.43 51.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -68.25 -35.9 78.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG21 HG21 ' A' ' 31' ' ' VAL . 99.2 t -63.27 -39.33 84.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 73' ' ' ILE . 85.4 t -57.57 -65.76 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.184 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -38.31 -46.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 69' ' ' VAL . 11.4 mt -64.19 -42.96 96.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 69' ' ' VAL . 48.1 mt -62.63 -65.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -42.68 -72.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -47.64 106.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.95 126.84 3.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -41.22 -48.66 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -134.85 176.15 8.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 57' ' ' ASN . 10.1 p -147.98 125.23 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.098 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.84 110.03 15.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 53' ' ' ILE . 12.3 mt -105.73 142.23 35.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 9' ' ' GLN . 43.9 m -111.84 97.9 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 51' ' ' ASP . 14.8 mt -83.97 139.95 32.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 85' ' ' GLY . 4.8 tt -122.25 126.57 48.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.436 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -43.68 141.56 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.2 p -106.8 108.03 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m -75.61 112.55 12.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.7 p 36.76 51.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -100.13 -93.26 2.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -39.45 6.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.643 2.228 . . . . 0.0 112.378 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.2 t -59.34 133.82 56.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.7 t -79.83 -41.53 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -69.83 113.43 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.8 p -131.31 160.19 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.84 -69.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -43.56 -65.89 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.886 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -108.17 86.69 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.38 158.13 2.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t -117.5 113.56 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -104.3 164.03 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 82' ' ' THR . 57.9 mtm180 -142.04 175.39 9.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.2 p -123.29 118.08 26.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.01 139.99 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.0 mt -112.53 134.75 54.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 47' ' ' VAL . 58.7 mt -129.07 133.88 65.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -114.93 153.04 31.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -80.16 122.88 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.37 -44.84 5.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -110.17 49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 59.14 35.52 23.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.91 141.03 3.04 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -65.25 -176.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.28 41.15 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' PHE . 2.3 p90 -137.83 153.57 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -125.79 164.93 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 66' ' ' HIS . 4.1 m -148.78 158.39 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 t -92.56 -6.61 49.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.5 18.51 0.61 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.438 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 29' ' ' ARG . 2.1 m-20 -78.21 -174.78 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 29' ' ' ARG . 18.1 ttp-105 -33.52 -64.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.663 ' O ' HG23 ' A' ' 30' ' ' ILE . 1.9 tp -102.01 76.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 30' ' ' ILE . 33.9 t -32.88 105.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 51' ' ' ASP . 6.5 mt -119.89 149.58 41.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.48 106.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -62.88 -58.76 6.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -141.99 168.15 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 43' ' ' MET . 25.3 t -145.3 109.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -44.48 142.9 2.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.78 16.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.31 27.02 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.22 -153.61 7.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.55 -32.06 13.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.088 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 14' ' ' ILE . . . -72.76 -53.1 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.45 ' HB2' HG12 ' A' ' 36' ' ' VAL . 54.3 tpp -46.02 -47.56 16.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -58.17 -47.32 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.88 -23.77 63.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.29 37.48 1.33 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 14' ' ' ILE . 5.6 t -105.22 151.39 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.391 . . . . 0.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.32 166.96 30.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.11 125.24 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.494 ' O ' ' CD2' ' A' ' 32' ' ' LEU . . . 122.57 -32.57 4.43 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.553 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.9 m-20 -41.55 128.09 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.77 HH21 HD21 ' A' ' 84' ' ' LEU . 23.6 ttp180 -101.4 110.02 21.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.422 HG13 ' CD2' ' A' ' 83' ' ' LEU . 41.1 mt -83.85 121.15 36.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.853 HD11 HD23 ' A' ' 84' ' ' LEU . 2.6 mt -108.32 -49.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -117.36 158.33 24.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 95.1 t -148.52 106.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 62.8 41.61 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.97 -9.08 26.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.453 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 79.3 m -101.66 121.76 42.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.9 ttm -71.22 130.74 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 31.4 m -125.8 36.2 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.4 ' C ' ' CG ' ' A' ' 63' ' ' ASN . 65.1 p -73.4 148.97 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 62' ' ' THR . 0.7 OUTLIER 45.28 43.13 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.0 m -114.35 -175.0 2.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 m -102.03 -175.97 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.707 ' O ' HG23 ' A' ' 70' ' ' VAL . 7.2 t-160 -80.47 -37.04 32.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.58 -51.18 61.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.02 -68.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.72 HG12 ' CD1' ' A' ' 73' ' ' ILE . 94.2 t -40.07 -58.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 66' ' ' HIS . 72.1 t -40.24 -64.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -40.45 -45.85 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.99 -38.67 76.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.72 ' CD1' HG12 ' A' ' 69' ' ' VAL . 74.1 mt -60.4 -34.66 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -90.21 60.66 4.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -125.83 121.98 34.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.86 -124.06 23.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -117.3 -24.4 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -136.95 175.22 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.2 p -137.12 124.74 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.87 102.82 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.71 HD23 HG22 ' A' ' 56' ' ' VAL . 5.6 mt -106.93 138.18 43.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 10' ' ' ARG . 87.6 m -93.22 100.88 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.548 HD13 ' CG ' ' A' ' 51' ' ' ASP . 37.5 mt -105.59 130.54 53.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 54' ' ' ILE . 2.0 pp -110.69 168.64 9.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.36 111.11 1.06 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.0 t -100.84 -26.17 13.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.8 t -61.04 133.21 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.8 m -129.17 159.1 37.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.21 -65.09 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.441 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.98 13.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.626 2.217 . . . . 0.0 112.393 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 89.8 p -44.66 123.0 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.9 p -58.12 145.07 38.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.527 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -137.21 145.58 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -137.61 173.99 11.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.07 75.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.507 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -118.6 -61.15 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -68.17 88.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.49 175.83 38.93 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 51.5 t -114.98 122.08 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -113.13 151.83 30.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -120.01 146.02 46.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 60.4 m -89.42 111.02 21.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.6 p -112.64 152.75 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.2 mt -140.54 135.01 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.434 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 18.0 mt -123.99 136.47 60.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -123.97 140.19 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -44.06 136.76 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -117.89 -58.56 2.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -115.06 -58.08 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -129.58 41.45 3.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.12 -131.51 10.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.486 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 73' ' ' ILE . 22.8 m-85 -95.03 143.06 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -91.59 -30.47 10.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -80.79 154.08 27.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.863 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -142.63 144.68 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 66' ' ' HIS . 18.8 m -115.54 144.0 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -130.58 8.47 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.04 117.32 4.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.85 -70.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -71.79 -42.79 66.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mm -122.04 100.32 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 69' ' ' VAL . 92.9 t -54.78 118.65 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 52' ' ' ARG . 85.4 mt -134.74 135.75 42.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 36' ' ' VAL . 85.6 t -58.24 102.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -63.54 -54.41 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -148.01 155.58 41.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' A' ' 33' ' ' VAL . 98.9 t -132.89 120.02 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.488 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 17.5 tpp180 -44.43 136.29 4.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.654 0.74 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.6 Cg_endo -69.76 -0.65 7.23 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.59 48.94 0.35 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.69 -165.16 14.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.65 -50.31 12.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.08 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.439 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.25 -61.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 29.2 ttm -45.59 -51.26 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -54.9 -42.37 72.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.08 72.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.1 37.35 1.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 83' ' ' LEU . 85.2 t -109.29 117.85 55.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt -115.86 161.88 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -57.41 151.08 17.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.32 -20.15 35.56 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' CG ' HD22 ' A' ' 83' ' ' LEU . 7.0 t0 -59.61 135.1 57.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.752 0.311 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . 8.8 ttp-105 -108.21 136.78 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.5 mt -98.15 131.75 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 59.4 mt -100.93 -51.15 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -128.93 156.86 43.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG22 HD23 ' A' ' 81' ' ' LEU . 72.0 t -142.86 107.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 79' ' ' VAL . 32.5 m120 57.89 32.12 21.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.59 -11.34 71.49 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.1 m -98.05 110.55 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 111.163 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.6 mmt -63.96 135.85 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.7 24.15 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.3 p -55.91 -44.01 77.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -127.43 51.19 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 p -116.36 152.06 34.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.1 p -82.53 132.98 35.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.449 ' CD2' HG23 ' A' ' 25' ' ' VAL . 9.2 t-160 -39.82 -52.81 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -39.69 -59.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.89 -41.27 86.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.81 ' HA ' HD12 ' A' ' 72' ' ' LEU . 95.4 t -54.39 -44.59 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 90.3 t -44.45 -55.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.68 -42.13 61.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 69' ' ' VAL . 28.4 mt -57.44 -46.32 83.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.443 HG22 ' CE2' ' A' ' 21' ' ' PHE . 27.9 mt -67.79 -17.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -94.81 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -116.77 92.52 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.48 -123.41 7.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -120.55 -40.93 2.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.052 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 6.4 p90 -117.49 -178.67 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 57' ' ' ASN . 14.5 p -145.93 134.12 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.7 114.51 26.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.749 HD23 HG22 ' A' ' 56' ' ' VAL . 3.8 mt -111.44 153.5 26.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.5 m -112.34 96.95 6.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.528 HD22 ' CG ' ' A' ' 51' ' ' ASP . 12.4 mt -86.39 150.01 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.644 HD13 ' N ' ' A' ' 85' ' ' GLY . 0.5 OUTLIER -106.89 132.51 52.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.644 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -89.71 82.03 1.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -70.93 124.18 23.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -97.39 83.33 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.4 m -105.13 111.9 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.24 146.47 6.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.507 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 126.86 13.81 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -127.74 160.74 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 84.3 p -69.86 110.5 5.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 56.42 42.31 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -104.39 150.74 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.85 89.62 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.451 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m 56.01 36.61 27.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -103.38 112.46 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.89 141.13 15.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p -108.88 125.75 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -88.47 151.43 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -124.36 173.74 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -117.06 120.53 38.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG11 HD11 ' A' ' 83' ' ' LEU . 8.3 p -131.42 140.82 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.9 mt -128.44 137.99 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 35.3 mt -118.59 127.15 75.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -103.97 118.26 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 3.0 pptp? -59.3 170.55 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.37 -176.41 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -41.29 -46.87 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.552 ' CE1' ' O ' ' A' ' 20' ' ' GLY . 12.3 p80 -80.88 -37.72 29.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.552 ' O ' ' CE1' ' A' ' 19' ' ' HIS . . . 121.86 177.12 15.36 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 32.5 m-85 -51.63 170.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.42 34.81 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.5 p90 -134.2 145.85 49.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.947 0.403 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.9 p -129.87 138.51 50.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG12 ' HA ' ' A' ' 33' ' ' VAL . 3.7 m -116.92 173.88 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -165.76 145.62 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 133.4 121.22 2.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -68.2 -56.33 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -100.99 -38.89 8.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -108.91 78.84 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.5 129.66 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 51' ' ' ASP . 41.1 mt -141.64 143.67 33.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' HA ' HG12 ' A' ' 25' ' ' VAL . 98.9 t -66.61 116.39 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -53.17 22.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.424 ' HA ' ' CG ' ' A' ' 49' ' ' GLU . 51.9 m -160.29 155.92 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 83.2 t -128.35 139.36 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -68.19 134.39 91.43 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.651 0.739 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -1.27 8.23 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.647 2.231 . . . . 0.0 112.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.08 44.53 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -110.35 -137.94 7.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.93 -33.9 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -62.62 -45.6 92.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.6 tpp -59.13 -46.2 88.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -51.87 -46.53 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -28.99 68.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.97 47.64 0.88 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -118.76 137.01 54.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -135.85 167.21 21.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' CG ' ' HA ' ' A' ' 35' ' ' SER . 36.3 mt-10 -59.48 146.93 38.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.23 34.69 9.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.64 ' CG ' HD22 ' A' ' 83' ' ' LEU . 6.1 t0 -120.03 144.38 47.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -109.96 156.72 20.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.4 mt -125.19 125.81 69.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.84 -46.91 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.14 149.08 50.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.496 HG22 HD23 ' A' ' 81' ' ' LEU . 56.0 t -137.06 117.9 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 48.65 41.9 18.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.09 24.88 75.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -121.57 109.34 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.3 ttm -63.51 110.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG11 HG22 ' A' ' 69' ' ' VAL . 27.1 m -117.06 22.06 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 p -55.81 -26.71 47.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' SER . 4.5 t30 -110.33 -51.32 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' ASN . 74.3 m -37.1 154.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.8 t -82.05 160.55 23.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.427 ' CD2' HG23 ' A' ' 25' ' ' VAL . 4.4 t-80 -57.79 -61.67 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -38.0 -36.76 0.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -70.24 -61.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG22 HG11 ' A' ' 61' ' ' VAL . 56.6 t -40.47 -32.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 74' ' ' LYS . 84.0 t -47.06 -53.79 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' CG ' ' N ' ' A' ' 72' ' ' LEU . 19.1 pttm -39.13 -46.73 1.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' N ' ' CG ' ' A' ' 71' ' ' LYS . 5.7 mt -65.75 -56.97 9.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 45.1 mt -43.84 -51.39 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 70' ' ' VAL . 9.3 ptpt -78.98 60.83 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 t -145.87 143.63 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.19 -148.88 45.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.7 -33.95 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -134.71 158.55 43.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.8 p -130.99 120.23 46.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.85 132.4 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 HD23 HG22 ' A' ' 56' ' ' VAL . 5.8 mt -126.23 138.24 53.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 m -97.98 95.26 7.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.64 HD22 ' CG ' ' A' ' 51' ' ' ASP . 25.0 mt -86.88 144.33 27.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD12 ' H ' ' A' ' 85' ' ' GLY . 17.3 tp -132.43 136.67 46.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.558 ' H ' HD12 ' A' ' 84' ' ' LEU . . . -43.86 108.71 0.19 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.9 p -95.1 167.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.2 p -141.04 134.06 29.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.3 m -70.31 -52.39 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.28 149.34 21.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 124.54 11.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.2 p -172.39 162.87 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.8 t -47.67 149.71 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -124.3 172.07 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -57.5 171.93 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.07 111.03 1.61 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.548 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 m -65.71 126.15 27.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.365 . . . . 0.0 110.895 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 p -102.76 154.96 18.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.62 -151.88 52.35 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.7 t -144.89 120.82 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.151 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -99.91 154.6 18.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 14.8 ttm105 -135.87 144.22 45.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.2 p -101.43 131.56 47.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.09 130.62 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -109.88 127.89 66.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 21.3 mt -107.13 130.75 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' LYS . 12.9 pt20 -110.67 124.74 52.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLN . 13.8 ptpt -34.62 118.13 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 12.4 t70 -112.63 -36.08 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' HG3' ' NE2' ' A' ' 19' ' ' HIS . 3.0 tp60 -127.21 79.42 1.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 18' ' ' GLN . 9.3 p80 38.23 42.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.34 157.1 9.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HE2' HG22 ' A' ' 73' ' ' ILE . 31.4 m-85 -49.98 168.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.95 6.99 7.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' CB ' HG22 ' A' ' 36' ' ' VAL . 23.5 p90 -109.52 166.19 11.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.402 . . . . 0.0 110.914 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -142.53 172.22 12.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.32 158.82 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.3 t -85.93 -0.57 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.11 90.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' ARG . 1.4 p-10 -161.45 -176.98 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' ASP . 38.2 mtt180 -34.97 -40.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' VAL . 8.0 mm -127.36 69.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' ILE . 20.4 t -35.22 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.5 mt -108.91 144.73 36.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.8 t -57.56 108.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -68.41 -59.78 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -150.94 167.18 28.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.485 ' CG1' ' HG2' ' A' ' 43' ' ' MET . 38.1 t -144.4 154.81 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 13.0 tpp180 -80.48 136.21 52.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.555 0.693 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.7 Cg_endo -69.81 90.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.693 2.262 . . . . 0.0 112.307 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.78 26.71 8.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.432 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.68 -151.64 26.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -78.27 -41.93 32.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.092 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.96 -43.24 96.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.485 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 7.4 mmm -64.47 -57.59 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -50.65 -21.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.0 -29.07 18.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.82 43.45 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.9 t -122.63 129.55 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -139.09 166.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -54.52 146.31 16.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.05 37.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.46 146.72 53.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -116.62 133.92 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.494 HG21 HD22 ' A' ' 81' ' ' LEU . 21.1 mt -101.72 114.61 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.9 mt -93.88 -45.73 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -117.39 149.07 41.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.3 t -141.33 116.27 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 53.82 30.64 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.67 -18.42 52.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.7 m -100.49 131.63 46.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 111.113 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.7 ptm -74.61 128.6 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.8 m -106.26 7.66 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.1 p -54.55 146.1 17.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m120 47.6 47.91 17.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.7 t -129.68 157.79 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.729 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.2 m -77.81 -179.02 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CD2' HG23 ' A' ' 70' ' ' VAL . 22.9 t-160 -69.51 -70.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 66' ' ' HIS . 7.7 tp -35.63 -58.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -42.82 -45.63 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 65' ' ' SER . 13.4 t -74.08 -42.92 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG23 ' CD2' ' A' ' 66' ' ' HIS . 62.0 t -48.48 -50.83 11.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -59.45 -39.79 84.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -68.21 -27.17 66.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.42 HG22 ' HE2' ' A' ' 21' ' ' PHE . 49.2 mt -77.7 -57.32 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -84.06 62.81 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.7 t -112.78 -39.84 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.66 -153.85 7.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.64 -20.91 53.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.102 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 1.1 p90 -153.19 -176.23 5.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 79' ' ' VAL . 7.7 p -152.19 120.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 121.35 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.494 HD22 HG21 ' A' ' 53' ' ' ILE . 41.8 mt -113.62 158.25 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.597 ' C ' HD23 ' A' ' 83' ' ' LEU . 93.2 m -118.99 106.69 12.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -98.86 118.64 36.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 85' ' ' GLY . 8.1 tp -102.73 126.17 49.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.455 ' N ' HD12 ' A' ' 84' ' ' LEU . . . 54.3 -130.48 44.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m 57.31 42.24 25.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 89' ' ' GLY . 3.2 m -94.53 92.99 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -63.88 74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' SER . . . -159.14 83.48 0.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -22.79 31.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.375 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -60.32 -51.25 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 p -114.49 112.42 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -129.19 96.49 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -106.19 162.28 13.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -172.91 156.65 25.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.489 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 52.5 p 36.79 43.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -154.74 158.67 39.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.48 132.07 10.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.94 122.23 57.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 111.09 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.4 164.3 20.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -134.39 129.91 36.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -86.79 110.28 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.4 p -109.03 138.66 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.58 118.19 53.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' TYR . 14.7 mt -104.84 131.44 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 8.2 pt20 -102.45 123.48 46.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -54.48 165.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -125.93 -175.78 3.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -50.09 -20.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -110.31 -35.08 6.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.89 169.52 15.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -45.37 164.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.51 50.76 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -135.16 139.86 44.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -118.96 161.53 20.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.5 m -144.39 162.71 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.4 ' C ' ' N ' ' A' ' 28' ' ' ASP . 8.4 t -87.94 -7.51 57.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.64 20.61 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.542 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' ARG . 9.9 m-20 -84.27 -175.07 5.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.35 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' ASP . 15.5 ttm-85 -34.44 -47.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.571 HG22 ' HG ' ' A' ' 32' ' ' LEU . 28.9 mm -117.93 87.14 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.6 t -49.43 107.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HG ' HG22 ' A' ' 30' ' ' ILE . 16.1 mt -129.22 136.56 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.546 HG21 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -58.35 116.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -79.93 -43.48 22.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.6 m -148.32 158.16 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 42' ' ' ALA . 58.8 t -135.08 113.22 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -38.22 134.61 0.9 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 99.58 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.41 34.53 60.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.54 -107.64 1.53 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.93 -52.49 2.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.073 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -52.07 -44.5 64.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.6 ttm -62.45 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -44.15 -48.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -61.48 -31.66 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.09 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 115.02 40.68 0.88 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.433 HG21 HD11 ' A' ' 14' ' ' ILE . 84.2 t -108.72 130.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 7.4 mptt -108.03 -175.92 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -95.5 105.16 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.59 28.5 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG21 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -102.48 154.28 19.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.844 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -110.01 129.68 55.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 56' ' ' VAL . 22.1 mt -101.71 111.93 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' A' ' 84' ' ' LEU . 10.2 mt -83.5 -56.31 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -115.82 155.08 28.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.4 ' CG2' HG21 ' A' ' 53' ' ' ILE . 90.8 t -146.34 114.59 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.0 m120 53.95 30.17 11.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 82.98 29.11 35.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 61' ' ' VAL . 6.4 m -127.28 111.72 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 111.161 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.2 mtp -59.15 104.97 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 61' ' ' VAL . 20.2 m -131.83 104.03 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.3 -33.64 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -129.74 50.58 2.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.5 m -114.8 163.38 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.2 p -81.48 152.42 27.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 67' ' ' LEU . 18.6 t-160 -40.56 -71.98 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -35.81 -66.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -39.24 -38.66 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 66' ' ' HIS . 59.7 t -79.44 -33.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 67' ' ' LEU . 90.5 t -51.97 -53.4 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -40.21 2.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.416 ' CD1' HG11 ' A' ' 61' ' ' VAL . 18.8 mt -71.13 -46.59 61.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 75.5 mt -55.5 -47.94 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -84.56 53.57 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.3 t -154.12 109.27 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.07 144.55 14.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.76 -27.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' ILE . 0.5 OUTLIER -146.61 -179.68 6.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 p -134.15 112.89 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.97 102.73 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.67 141.19 30.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.7 m -111.57 94.96 5.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.34 137.01 32.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 85' ' ' GLY . 0.6 OUTLIER -101.12 133.06 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.855 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -35.08 106.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 m -56.01 169.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -133.41 114.22 13.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 m -72.05 -50.09 31.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.86 83.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 60.0 p -72.3 108.51 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.0 t -70.73 105.24 3.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -77.78 141.51 39.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.9 0.381 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -90.17 149.83 22.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.2 108.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -49.94 144.17 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.848 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -86.05 152.52 22.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.52 -144.42 15.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -145.2 131.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 111.111 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.544 ' HB3' HG22 ' A' ' 82' ' ' THR . 10.5 mt-30 -108.87 161.18 15.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' NH2' ' O ' ' A' ' 46' ' ' GLY . 7.6 ptm180 -124.77 120.69 32.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -86.17 124.59 32.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 4.5 p -134.0 124.97 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.651 HG12 ' HB2' ' A' ' 80' ' ' ALA . 74.3 mt -102.09 124.17 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.516 HD11 HG21 ' A' ' 47' ' ' VAL . 18.2 mt -108.28 131.62 58.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.23 142.31 45.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -57.14 117.11 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -92.37 -43.01 9.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -118.54 44.13 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 64.04 45.72 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.74 136.57 2.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -60.98 169.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.82 43.13 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -137.68 132.56 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.5 p -106.94 144.51 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.169 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.775 HG12 ' HA ' ' A' ' 33' ' ' VAL . 16.9 m -133.78 135.86 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.3 p -82.21 110.22 17.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.47 125.15 25.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.8 t0 -175.07 -179.19 1.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 28' ' ' ASP . 2.9 tpt180 -34.19 -43.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.64 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.7 pp -130.29 79.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 69' ' ' VAL . 24.8 t -33.19 128.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD21 ' HG3' ' A' ' 52' ' ' ARG . 9.6 mt -128.97 160.92 31.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.775 ' HA ' HG12 ' A' ' 25' ' ' VAL . 75.4 t -89.32 113.22 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -63.23 -58.49 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -155.37 169.79 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' A' ' 42' ' ' ALA . 97.4 t -132.17 109.24 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 38' ' ' PRO . 52.9 ttm-85 -36.61 139.56 0.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.666 0.746 . . . . 0.0 110.811 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 37' ' ' ARG . 54.3 Cg_endo -69.73 90.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.389 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.65 37.11 7.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.98 -124.41 3.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.17 -44.83 4.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 111.066 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.641 ' HB3' HG13 ' A' ' 36' ' ' VAL . . . -61.19 -50.2 74.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.7 ttm -54.04 -48.01 71.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -55.37 -46.44 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.695 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -62.61 -28.92 70.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.064 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.4 ' O ' ' NH2' ' A' ' 10' ' ' ARG . . . 111.81 42.33 1.03 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG21 HD11 ' A' ' 14' ' ' ILE . 87.4 t -106.1 143.55 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.878 0.371 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -134.95 160.25 38.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -73.32 141.98 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.48 39.71 5.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.452 ' O ' HD23 ' A' ' 32' ' ' LEU . 3.2 m-20 -133.23 133.12 42.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.496 ' HG3' HD21 ' A' ' 32' ' ' LEU . 16.1 mtt180 -93.61 144.78 25.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.439 HG21 HG22 ' A' ' 56' ' ' VAL . 17.8 mt -111.66 126.3 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.5 mm -99.17 -32.99 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -126.44 153.34 45.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.865 HG12 ' OD1' ' A' ' 57' ' ' ASN . 45.5 t -150.46 120.49 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.865 ' OD1' HG12 ' A' ' 56' ' ' VAL . 8.8 p-10 42.3 46.04 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.475 ' CA ' ' HD3' ' A' ' 55' ' ' LYS . . . 82.28 -28.55 3.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 56' ' ' VAL . 56.5 m -92.43 128.24 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.175 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.7 mtm -77.88 143.14 38.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 69' ' ' VAL . 27.2 m -122.01 36.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.6 p -70.78 140.59 51.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.3 p30 44.44 41.37 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.8 p -118.71 178.07 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 69' ' ' VAL . 59.2 m -110.05 171.96 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.68 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.9 t60 -62.14 -37.83 86.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -47.52 -58.58 4.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.13 -59.54 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 65' ' ' SER . 42.7 t -41.14 -37.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 66' ' ' HIS . 49.8 t -65.05 -67.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' VAL . 7.4 tttm -36.66 -32.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 70' ' ' VAL . 43.9 mt -75.13 -44.61 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' VAL . 95.2 mt -64.15 -54.02 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -41.44 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 m -42.04 103.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.88 145.07 7.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.95 -22.55 67.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.072 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -148.36 169.64 19.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.775 HG23 ' HB3' ' A' ' 57' ' ' ASN . 14.5 p -140.15 141.44 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 13' ' ' ILE . . . -99.36 115.51 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD23 HG13 ' A' ' 56' ' ' VAL . 9.6 mt -106.01 136.68 45.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.544 HG22 ' HB3' ' A' ' 9' ' ' GLN . 84.9 m -106.65 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 83' ' ' LEU . 4.9 mt -83.0 132.07 35.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 85' ' ' GLY . 1.3 tp -121.03 133.03 55.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.87 ' N ' HD12 ' A' ' 84' ' ' LEU . . . -80.37 -142.8 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.534 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 94.9 p -102.01 159.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 88' ' ' SER . 56.2 m -100.83 166.78 10.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 87' ' ' SER . 70.7 p -34.65 127.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.37 82.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.7 3.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.348 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' SER . 1.4 t -77.71 149.65 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' SER . 4.7 m -38.28 -54.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -98.51 108.64 21.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -122.0 108.96 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.21 46.92 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -132.98 104.36 6.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -120.33 142.09 49.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.04 174.55 45.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -66.99 154.1 8.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -125.02 138.26 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -116.59 141.26 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.62 131.49 38.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.409 HG11 HG22 ' A' ' 47' ' ' VAL . 13.5 p -132.14 139.67 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.8 mt -122.21 126.22 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.459 HG12 ' CB ' ' A' ' 45' ' ' ALA . 28.4 mt -108.66 124.87 65.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.145 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' LYS . 1.4 pt20 -114.34 127.67 55.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLN . 25.2 mtmt -34.47 107.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' HB3' ' NE2' ' A' ' 18' ' ' GLN . 3.4 t70 -105.86 -45.22 4.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' NE2' ' HB3' ' A' ' 17' ' ' ASP . 3.8 mp0 -111.66 50.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 58.03 43.26 21.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.78 145.57 5.46 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' CE2' HG22 ' A' ' 73' ' ' ILE . 25.0 m-85 -56.05 174.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.48 35.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 25.9 p90 -136.84 125.41 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.1 p -108.65 137.87 45.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 ' HB ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -115.55 173.25 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 p -168.21 132.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.87 141.14 3.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.18 -75.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HE ' HG23 ' A' ' 30' ' ' ILE . 57.3 ttp180 -62.7 -73.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.661 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -95.99 138.34 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 69' ' ' VAL . 61.8 t -102.28 112.64 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD23 ' C ' ' A' ' 51' ' ' ASP . 7.8 mt -109.7 148.02 32.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.86 118.06 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -76.76 -51.35 11.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -152.83 150.61 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' ARG . 87.2 t -124.54 105.88 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.444 ' CD ' ' HD2' ' A' ' 38' ' ' PRO . 18.8 tpp180 -36.06 135.97 0.52 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' CD ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -69.74 82.48 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.75 46.02 2.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.08 -129.46 6.69 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -110.79 -30.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -76.57 -34.46 58.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.8 ttm -68.44 -43.36 77.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -72.81 -29.09 62.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' CB ' HG12 ' A' ' 14' ' ' ILE . . . -64.87 -31.42 72.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 120.66 25.74 2.3 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HD11 ' A' ' 83' ' ' LEU . 61.0 t -113.27 134.53 55.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.889 0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.82 -178.05 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.9 152.52 45.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.81 34.09 71.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' OD2' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -104.84 108.2 19.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.914 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -85.4 119.91 26.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.4 mt -90.42 137.84 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 19.1 mt -106.23 -48.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -125.47 155.95 39.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.65 103.03 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 80' ' ' ALA . 11.2 t-20 48.9 29.12 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.68 -43.13 1.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 50.2 m -70.56 107.58 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 111.122 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.4 ttm -71.69 108.25 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' THR . 33.5 m -96.69 21.05 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -36.63 -44.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 11.5 p-10 -132.17 73.0 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -141.77 140.42 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 m -62.22 156.94 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.829 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.586 ' CD2' HG23 ' A' ' 70' ' ' VAL . 20.6 t-160 -47.88 -59.02 3.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.0 mt -39.9 -57.32 1.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -46.5 -37.85 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.712 HG21 HG21 ' A' ' 31' ' ' VAL . 46.5 t -78.44 -35.2 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 66' ' ' HIS . 93.2 t -59.51 -48.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -60.67 -39.54 88.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.62 -37.77 88.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.751 HG23 HG11 ' A' ' 79' ' ' VAL . 39.8 mt -70.97 -50.47 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -47.5 -50.6 22.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.8 t -56.96 123.72 16.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.24 153.4 27.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.28 91.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -118.13 -176.25 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.751 HG11 HG23 ' A' ' 73' ' ' ILE . 4.6 p -154.99 133.54 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . . . -92.85 127.44 38.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -125.9 137.49 53.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.6 m -99.41 106.85 18.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.552 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.3 mt -99.39 138.43 36.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 85' ' ' GLY . 5.0 tt -123.75 139.86 53.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.44 ' N ' HD23 ' A' ' 84' ' ' LEU . . . 105.51 121.77 4.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.9 p -75.0 169.96 16.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.2 t -130.79 -61.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.3 t -50.83 103.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.13 -93.19 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 95.66 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -64.46 117.64 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t 42.29 40.56 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' GLY . 52.3 p 35.29 40.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.86 0.362 . . . . 0.0 110.842 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -84.77 137.7 33.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.62 -149.67 18.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -121.02 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.922 0.392 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -116.19 129.74 56.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.81 -173.52 22.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.98 134.19 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.776 0.322 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -105.44 147.2 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -113.35 152.16 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -100.41 103.68 15.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.85 141.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 80' ' ' ALA . 10.0 mm -119.71 138.3 50.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.5 mt -135.91 146.31 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.4 pm0 -121.57 150.45 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -86.84 150.27 24.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -120.65 -178.92 3.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ASP . 3.5 tm0? -36.3 -46.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -79.05 -43.27 24.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.7 -156.29 26.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CE1' HG12 ' A' ' 79' ' ' VAL . 42.0 m-85 -74.92 -65.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.26 -51.34 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.547 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.421 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 5.2 p90 -81.2 132.13 35.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.934 0.397 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -118.97 150.71 39.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG23 ' ND1' ' A' ' 66' ' ' HIS . 29.0 m -122.68 144.85 30.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -130.39 3.89 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.8 118.02 5.93 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.69 -59.93 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.801 0.334 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.29 -42.97 18.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mm -121.62 91.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 69' ' ' VAL . 77.1 t -47.09 112.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 51' ' ' ASP . 12.8 mt -128.28 148.38 50.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.7 t -69.22 114.25 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -86.33 -44.24 12.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -146.16 153.9 41.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.8 t -136.6 123.14 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' CD ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -55.56 133.56 71.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 110.892 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.61 2.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.466 ' H ' ' CD ' ' A' ' 37' ' ' ARG . . . -162.07 39.09 0.38 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.66 -150.8 23.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . -94.88 -36.54 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.764 0.316 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -61.77 -53.78 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 30.9 tpp -44.51 -53.04 7.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -50.95 -37.05 42.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.14 -24.51 65.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.81 24.37 9.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.521 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -89.86 126.18 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -123.7 167.83 13.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -59.96 123.66 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.87 -0.92 15.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.432 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.6 m-20 -81.52 132.06 35.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -102.89 140.37 37.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 81' ' ' LEU . 13.2 mt -109.45 122.63 64.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.45 -46.2 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -116.77 142.35 47.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.866 HG22 HD23 ' A' ' 81' ' ' LEU . 67.6 t -139.95 106.13 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.3 m120 62.93 33.14 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.11 -23.75 13.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -95.93 116.91 29.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ptm -66.27 136.11 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.437 ' HB ' HG22 ' A' ' 69' ' ' VAL . 19.0 m -113.62 9.44 7.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.5 p -49.26 133.33 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 55.52 48.16 19.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t -129.32 142.87 50.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.827 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 66' ' ' HIS . 26.5 p -62.34 135.36 57.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 25' ' ' VAL . 2.7 t60 -37.09 -49.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -50.08 -61.01 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -43.63 -40.81 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.923 HG21 HG21 ' A' ' 31' ' ' VAL . 38.8 t -63.68 -53.48 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.9 t -38.81 -50.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -41.45 -42.78 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.5 mt -70.43 -39.79 74.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -59.91 -68.31 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -39.91 -52.37 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -44.92 102.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.827 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.57 164.06 36.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.76 -52.44 56.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -105.85 172.16 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.402 HG12 ' CE1' ' A' ' 21' ' ' PHE . 2.2 p -138.34 124.17 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -81.56 137.05 35.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.045 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.866 HD23 HG22 ' A' ' 56' ' ' VAL . 20.4 mt -135.62 156.09 49.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.5 m -128.61 101.92 6.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.9 mt -93.89 147.7 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 tt -110.27 126.68 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.57 113.38 5.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.536 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -77.66 171.29 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.391 . . . . 0.0 110.839 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.0 p -153.71 145.6 23.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.9 m -60.02 144.12 50.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.6 146.53 47.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' SER . 53.6 Cg_endo -69.83 -31.58 19.95 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.306 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' PRO . 5.0 m -34.55 131.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 m -124.29 146.16 48.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -69.28 160.32 31.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -172.67 140.25 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.26 -175.87 18.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.515 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.8 m -132.47 -48.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -40.41 145.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.8 -177.08 52.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.0 p -139.46 125.2 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.99 159.16 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -126.81 144.72 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -96.51 129.44 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.87 137.67 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.57 119.94 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.564 HD11 HG21 ' A' ' 47' ' ' VAL . 32.2 mt -103.56 109.65 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -98.89 117.77 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -42.08 140.45 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -117.2 -38.15 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -113.53 49.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 62.54 32.46 16.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.93 164.73 20.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.424 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -85.65 167.16 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -126.21 37.53 2.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.526 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -138.27 131.07 29.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.939 0.4 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 34' ' ' GLN . 52.6 p -108.02 142.01 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 33' ' ' VAL . 27.5 m -125.04 175.03 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 t -168.76 155.13 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.79 135.61 4.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -75.35 -70.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.776 0.322 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -66.11 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.687 HD13 ' H ' ' A' ' 30' ' ' ILE . 0.2 OUTLIER -97.62 138.51 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 HD12 ' A' ' 53' ' ' ILE . 93.6 t -102.68 133.89 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -129.52 156.32 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG12 ' A' ' 25' ' ' VAL . 60.3 t -78.6 104.65 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' THR . 54.7 tp60 -61.16 -62.19 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.1 m -139.1 165.2 27.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 37' ' ' ARG . 14.6 t -139.51 110.76 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' VAL . 21.1 tpp180 -37.9 135.04 0.82 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.618 2.212 . . . . 0.0 112.366 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.72 44.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.98 -130.95 6.21 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.91 -56.75 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.82 -46.06 2.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.7 tpp -62.6 -48.54 78.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -53.55 -29.08 35.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.02 -21.9 36.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.28 47.55 1.69 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 48' ' ' LYS . 97.3 t -102.07 160.93 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.876 0.37 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.566 ' N ' HG12 ' A' ' 47' ' ' VAL . 18.6 mmmt -147.41 168.15 22.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -81.89 136.74 35.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.62 17.62 25.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.746 ' HB3' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -95.73 112.11 23.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.851 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 32' ' ' LEU . 21.5 ttp85 -80.36 114.29 19.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 31' ' ' VAL . 16.3 mt -76.37 131.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.06 -46.95 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 56' ' ' VAL . 13.0 ttmm -124.14 157.91 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.641 HG12 ' ND2' ' A' ' 57' ' ' ASN . 54.2 t -139.85 105.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.641 ' ND2' HG12 ' A' ' 56' ' ' VAL . 22.8 p30 45.72 37.53 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.54 6.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.2 m -76.41 115.45 16.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.776 0.322 . . . . 0.0 111.167 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 mmm -79.17 110.44 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.0 m -104.61 21.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -57.7 -19.15 25.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.23 -33.57 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.5 m -51.98 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.82 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.4 t -119.56 170.09 9.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -47.82 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -45.72 -50.38 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.09 -25.65 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 65' ' ' SER . 24.5 t -84.9 -44.29 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.71 -45.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -61.87 -35.84 79.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 69' ' ' VAL . 9.8 mt -71.65 -45.28 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.746 HG23 HG11 ' A' ' 79' ' ' VAL . 95.8 mt -63.17 -45.75 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 38.8 mtpt -65.53 -71.86 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' LYS . 7.2 t -37.48 107.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.815 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 78' ' ' TYR . . . 111.57 123.56 4.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 76' ' ' GLY . . . -35.67 -34.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 76' ' ' GLY . 1.5 p90 -138.29 178.23 7.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 73' ' ' ILE . 8.1 p -149.32 136.41 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.55 123.44 40.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -119.11 138.96 52.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -104.33 99.93 9.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 51' ' ' ASP . 10.0 mt -87.88 127.27 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 85' ' ' GLY . 5.2 tt -98.22 142.29 30.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.499 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -144.74 116.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.5 p -119.71 122.46 41.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.3 t 49.78 42.99 24.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.7 t -125.13 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -132.66 -170.72 12.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.96 67.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.321 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -130.44 107.64 9.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 t -94.01 125.15 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.43 -179.927 . . . . . . . . 0 0 . 1 stop_ save_