data_2m7n_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 2m7n _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 75.1 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -62.25 -42.22 99.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.01 -54.92 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.182 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.99 -51.59 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.947 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.9 -55.27 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.868 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -42.78 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.3 110.877 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -38.59 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.936 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mmt -72.48 -12.03 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.55 110.879 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.54 74.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.866 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -60.48 -16.85 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.144 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.29 -2.85 50.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.878 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.07 45.27 20.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 70.23 112.466 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -94.57 -18.34 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 73.25 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.84 -3.41 75.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 73.3 112.502 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.1 OUTLIER -138.23 134.14 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 74.53 110.884 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 pp -97.36 142.34 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 9.0 t -92.34 157.18 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 72.1 111.142 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.34 -53.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.915 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.1 -44.78 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.99 -46.74 87.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.883 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -32.68 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.09 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.0 m -73.44 -37.53 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.162 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -39.56 75.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.849 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -67.85 -45.47 74.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -25.56 56.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -28.65 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -55.86 -28.46 56.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -15.6 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 72.32 110.831 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.23 3.9 89.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.4 mt -83.9 129.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 75.32 111.13 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.26 -17.35 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -54.79 -25.62 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.957 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.57 -29.46 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 73.54 111.104 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.44 111.09 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.53 -32.48 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.23 -44.86 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.42 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -31.38 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -35.34 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.936 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -84.3 -21.76 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.06 -16.62 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 70.51 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.72 82.47 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.35 110.893 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.38 -17.16 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.05 111.097 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.13 -2.28 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.36 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 73.13 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -70.34 -20.69 62.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 62.34 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.28 -1.37 88.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 43.14 112.47 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -147.16 156.75 43.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 75.41 110.967 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.73 131.82 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 75.41 111.137 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 11.0 t -89.26 -177.07 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.109 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mp -51.03 -42.61 60.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.902 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.56 -55.17 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.92 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -56.03 -46.93 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 71.15 110.899 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -54.93 -39.74 69.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.03 -19.2 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.937 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.81 -18.9 38.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 75.55 110.896 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.863 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 75.35 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.33 85.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.896 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.47 -55.11 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.54 111.108 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.58 -39.55 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.57 -54.04 50.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.93 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.63 -44.0 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.5 110.823 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 tt -57.04 -42.01 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 10.0 mmt -71.46 -11.2 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.822 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.04 66.66 7.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 74.43 110.822 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.57 -18.57 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 70.51 111.169 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -80.95 -2.88 49.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.887 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.28 45.76 35.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 73.42 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -98.44 -23.87 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 74.55 110.801 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.68 2.17 63.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 72.32 112.467 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -145.16 138.73 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 72.42 110.859 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.54 144.87 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.94 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 5.8 m -93.98 155.07 17.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.133 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 2.8 tttt -35.57 -45.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 71.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -69.15 -45.04 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' THR . 52.3 tt0 -62.76 -53.18 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.894 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.4 p -55.82 -38.28 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.162 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.4 m -67.29 -44.32 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.4 m -70.23 -36.99 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.867 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -62.43 -49.69 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 74.33 110.952 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -76.11 -27.18 57.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.87 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -28.83 42.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.889 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -56.99 -30.26 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 73.11 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -10.95 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.888 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.22 -3.62 84.24 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 74.25 112.529 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.8 tt -88.23 122.48 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 73.43 111.163 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.47 -14.67 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -25.97 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.67 -29.46 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 74.43 111.114 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.14 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 64.24 111.082 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.64 -33.34 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.87 -44.02 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.906 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.38 -31.05 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.142 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -35.59 46.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.51 110.903 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.41 -21.96 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.89 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.67 -19.08 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.44 111.067 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 82.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.65 -16.92 60.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 72.54 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.53 -2.81 34.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.26 29.65 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 72.33 112.536 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -70.76 -20.83 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 72.22 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 85.83 -2.08 87.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 71.14 112.528 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.44 161.37 36.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 74.22 110.957 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 2.5 pt -127.87 121.46 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.32 111.158 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.2 t -90.8 -177.26 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 75.35 111.147 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.31 -31.13 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.03 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -58.65 -54.3 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.63 80.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.34 110.915 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -39.41 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.55 -20.16 60.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 73.55 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.57 -18.75 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 45.53 110.859 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.902 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.904 0.383 . . . . 74.12 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -43.74 98.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 64.25 110.926 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.51 -54.66 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.079 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -51.9 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.04 110.904 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.88 -55.5 16.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.32 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -42.04 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.912 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -11.6 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.857 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.78 75.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.25 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.34 -13.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.12 111.116 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -79.96 -3.15 47.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 61.42 110.894 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.02 45.53 14.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 63.1 112.517 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -92.23 -22.46 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 72.2 110.896 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.41 -3.61 72.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.473 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.33 157.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 75.11 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 pp -123.86 143.47 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 72.01 110.856 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.91 156.81 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 72.35 111.097 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.6 tttt -37.65 -55.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.907 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.75 -44.35 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.23 110.887 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.01 -47.43 86.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.05 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -33.58 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.156 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 84.9 m -74.75 -31.03 61.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.111 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t -69.96 -47.39 62.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 71.23 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -75.91 -25.83 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.874 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -28.91 24.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.965 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -56.22 -25.21 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.926 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 -21.18 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.872 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.96 -5.24 78.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 53.52 112.577 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.15 127.97 38.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 75.55 111.083 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -101.11 -12.95 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -55.08 -26.39 37.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 73.53 110.918 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.2 p -52.2 -30.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 63.33 111.144 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.23 83.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 73.31 111.169 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.49 -31.87 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.856 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -71.87 -44.92 62.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.42 -31.25 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 75.1 111.132 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -35.53 48.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -83.2 -22.09 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.925 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.4 -18.85 32.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.07 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.36 82.48 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.847 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.94 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.44 111.049 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -86.87 -2.35 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.18 29.27 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 72.25 112.458 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -71.4 -20.71 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 75.51 110.904 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.42 1.62 76.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 60.44 112.572 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.21 158.97 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 73.24 110.943 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.74 127.16 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.123 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.8 t -90.42 -177.49 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.44 111.143 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -36.56 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.91 -56.44 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.867 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.87 -44.63 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.65 -39.28 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.22 -19.97 60.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.58 -18.87 39.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.845 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.864 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.863 0.363 . . . . 74.22 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -43.93 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.952 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.36 -53.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.134 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.27 -47.97 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.23 110.963 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -58.6 -55.39 35.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 75.1 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.9 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -24.22 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.943 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -36.03 72.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 75.34 110.884 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.53 78.5 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -57.35 -17.83 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.155 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -79.87 -2.22 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 70.13 110.855 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.25 45.87 34.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 73.24 112.481 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -97.62 -19.65 18.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 62.24 110.851 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.6 66.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 73.21 112.517 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -134.96 135.41 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 72.32 110.919 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.62 140.61 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.853 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.5 t -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.24 111.142 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.12 -54.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.928 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -52.78 -45.0 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 73.41 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.04 -46.62 88.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.01 110.82 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -32.71 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.123 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -73.47 -36.33 65.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.31 111.184 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -40.44 75.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -69.62 -44.13 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -24.67 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -28.55 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.02 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -24.55 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.894 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.28 -21.08 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.812 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.07 -5.44 75.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 75.34 112.521 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.83 130.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.831 0.348 . . . . 74.11 111.13 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -102.85 -10.91 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.45 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.901 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.43 -29.43 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.1 111.167 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.72 80.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.35 111.071 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -72.3 -32.33 66.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -45.11 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.899 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.72 -31.29 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 mmt -77.1 -36.16 55.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.63 -21.28 32.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 74.33 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.74 -19.19 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 73.25 111.132 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -94.18 83.53 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.923 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -19.11 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.25 111.087 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -83.31 -2.59 56.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 65.13 110.917 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.53 28.31 6.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 73.2 112.522 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.65 -23.41 64.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 64.41 110.861 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.73 -1.89 70.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 63.43 112.503 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.25 154.92 47.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 75.22 110.867 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.421 ' O ' ' CG1' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -124.7 128.16 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.121 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 9.0 t -85.94 -177.41 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.071 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mp -49.42 -47.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.913 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.81 -54.52 43.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.853 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.86 -38.26 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 75.51 110.856 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 64.34 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.46 -23.82 61.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -84.32 -18.0 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.11 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.83 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.944 0.402 . . . . 64.24 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -62.12 -45.37 93.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.94 -53.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.43 111.106 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -50.25 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.32 110.871 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -50.45 -54.76 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.52 110.914 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -45.98 88.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.25 110.864 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -41.69 71.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 73.12 110.853 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.2 mmm -71.62 -14.51 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.915 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.08 74.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.5 -15.4 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 70.03 111.197 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -80.47 -3.28 49.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 71.25 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.95 45.6 14.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 44.52 112.498 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -92.92 -20.7 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.99 0.27 68.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 72.25 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.98 161.34 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 73.31 110.879 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.8 mt -123.18 148.42 45.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.879 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -93.97 152.84 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.145 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -36.69 -61.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.862 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -53.99 -44.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.835 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.24 -49.15 78.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.1 t -50.68 -45.51 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 74.03 111.163 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -69.29 -30.39 68.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 65.24 111.114 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -70.56 -50.09 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.42 110.841 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.35 -39.42 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.53 110.9 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.37 -26.4 55.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 72.02 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -28.7 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -56.04 -24.86 42.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.884 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -87.72 -22.38 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.858 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -13.64 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 71.03 112.533 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mt -80.88 130.59 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 74.31 111.086 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.24 -15.94 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.835 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -54.94 -26.31 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.26 -29.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.55 111.082 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 71.25 111.121 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.87 -31.61 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.04 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -73.36 -44.21 59.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.74 -31.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 73.41 111.127 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -35.96 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 74.34 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -81.86 -22.1 37.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.73 -18.36 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.094 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.31 81.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 73.2 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.61 -28.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 71.32 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -84.06 -2.46 56.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.32 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.6 29.42 7.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 74.31 112.484 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -71.48 -21.09 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 75.21 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.49 0.37 84.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -147.5 161.05 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 75.21 110.959 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 1.0 OUTLIER -119.56 125.21 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.24 111.153 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 9.0 t -83.6 -177.77 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.52 -48.18 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.906 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.03 -52.55 58.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.83 -47.6 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.869 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.35 -39.9 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.9 tp -73.39 -20.31 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.928 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.93 -18.35 40.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 63.24 110.861 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 72.34 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -57.43 -47.23 82.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.4 110.912 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.23 -51.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.164 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -53.58 52.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.915 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -50.64 -54.92 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 72.34 110.923 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -42.79 96.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 75.14 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -39.69 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.45 110.937 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -14.63 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.2 75.42 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.85 -14.24 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 65.2 111.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -79.23 -3.26 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.942 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.21 45.56 10.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 64.32 112.474 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -94.39 -21.29 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 72.13 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.6 68.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 73.24 112.49 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -138.65 143.35 39.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 72.54 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.8 140.26 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.0 t -94.22 155.65 16.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.178 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -57.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.863 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.18 -41.38 60.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.06 -37.46 81.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.853 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -33.7 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.33 111.14 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.5 m -75.69 -38.72 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 54.12 111.172 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -45.96 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 71.03 110.821 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -64.77 -43.98 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -76.89 -23.58 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -27.64 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.54 110.862 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -54.79 -24.64 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 75.23 110.856 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.61 -25.57 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.35 110.844 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -9.9 65.1 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 63.33 112.473 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.4 mm -95.27 122.03 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 75.03 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -0.99 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.876 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -24.64 40.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.889 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.85 -29.61 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.5 111.155 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.71 82.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -72.9 -32.04 65.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -44.68 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.3 110.939 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.38 -31.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 64.44 111.128 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.91 -37.94 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.835 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.06 -21.21 43.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.927 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.21 -19.06 24.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.45 111.149 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.19 82.93 6.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.805 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -18.88 60.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.04 111.027 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -83.59 -2.09 55.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 74.11 110.915 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.63 28.71 11.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 74.31 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.15 -22.5 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.34 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.5 3.64 72.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 53.22 112.509 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -149.8 161.5 42.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 71.44 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 0.7 OUTLIER -124.12 123.47 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 75.43 111.117 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 10.4 t -88.16 -176.54 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mp -48.64 -48.66 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.923 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.49 -54.55 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 124' ' ' ILE . 18.3 mt-10 -56.12 -41.75 75.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.869 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.99 -41.04 86.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 73.4 110.863 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.58 -24.39 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.56 -17.55 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.51 110.863 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.914 0.388 . . . . 74.33 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -45.95 80.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.13 110.849 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.13 -51.61 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.54 111.154 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.39 -53.45 53.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.19 -55.38 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.827 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -43.64 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.13 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -40.28 71.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.929 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -12.57 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.873 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.18 76.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.51 -13.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 71.35 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -79.53 -3.29 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.919 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.81 45.69 9.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.431 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.48 -20.73 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 75.34 110.825 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.53 -4.26 69.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 73.4 112.471 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.3 OUTLIER -138.26 155.82 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 71.2 110.853 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.43 140.14 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 72.52 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.3 t -93.93 156.05 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.1 111.09 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -57.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.877 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -51.45 -41.02 60.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.57 -37.2 79.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -33.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.114 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.3 m -75.11 -41.65 58.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.164 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -43.76 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.4 110.842 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -64.17 -45.46 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.925 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.5 -24.38 53.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -27.92 13.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.933 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.36 -24.58 30.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.52 110.913 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -89.03 -23.67 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 74.12 110.87 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.71 -3.57 74.67 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.686 -0.768 . . . . 63.55 112.463 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.3 mp -94.75 132.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 72.32 111.169 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -97.65 -7.96 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.888 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -24.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 72.15 110.899 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.75 -29.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.089 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.02 74.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.034 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -73.1 -33.11 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -73.75 -44.25 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.944 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.69 -31.61 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 74.42 111.128 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -37.63 42.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.884 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.66 -20.97 41.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.76 -1.36 57.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 70.12 111.125 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 82.68 5.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.73 -18.12 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 72.21 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.31 -2.51 36.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.839 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.52 27.9 6.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.55 112.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -67.1 -21.38 65.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 73.1 110.818 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.01 3.3 74.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 71.42 112.455 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.69 161.34 42.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 74.13 110.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 0.9 OUTLIER -124.1 125.18 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 74.41 111.106 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.0 t -87.34 -176.69 5.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.106 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -49.07 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.897 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.66 -53.02 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.853 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -54.45 -46.36 73.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.883 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.02 -40.95 82.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.72 -24.97 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.04 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.2 -17.63 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.883 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 73.55 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -61.51 -44.0 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.05 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.68 -52.46 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 72.24 111.14 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.06 -53.18 60.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -50.75 -55.08 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.858 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.11 -41.74 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 72.53 110.971 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.5 mmt -71.72 -11.7 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.887 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -103.21 73.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.24 -16.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 62.15 111.145 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -80.26 -3.41 49.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.54 110.847 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.8 45.43 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 64.45 112.531 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -92.05 -22.63 19.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.835 0.35 . . . . 71.24 110.832 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.39 -3.99 70.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 61.4 112.468 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 1.2 pttp -138.35 157.21 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 72.51 110.919 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.72 142.51 51.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 73.24 110.932 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.1 t -92.68 156.22 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.14 111.126 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.5 OUTLIER -37.71 -54.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.911 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.34 -44.37 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.21 -40.99 97.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -32.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.5 111.103 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.2 m -72.82 -45.14 60.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.187 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -70.35 -38.65 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.27 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -25.14 54.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.843 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -28.37 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -55.86 -24.72 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 -15.82 21.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.827 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.1 -5.97 75.77 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 72.41 112.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.68 131.35 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 74.14 111.16 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.82 -8.72 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 64.21 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -24.77 28.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.25 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -31.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 73.12 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.49 -47.27 86.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 70.41 111.126 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.52 -29.56 63.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -44.93 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.873 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.18 -31.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.52 111.096 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.61 -34.18 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.88 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -84.66 -23.87 29.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.852 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.76 -18.14 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 50.52 111.117 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.08 82.27 6.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.54 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.12 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -92.91 -2.62 55.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.78 29.81 6.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 71.24 112.483 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -73.74 -19.76 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 54.13 110.816 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.6 75.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 73.24 112.567 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.67 157.25 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 63.33 110.913 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -131.54 127.88 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.152 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.9 t -89.9 -177.06 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.53 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -39.92 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.95 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.75 -56.51 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.881 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.82 -45.53 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.58 -38.63 72.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 72.3 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.41 -20.27 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.14 110.931 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -18.81 39.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 63.2 110.971 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.834 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.887 0.375 . . . . 73.31 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -51.86 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.959 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.24 -52.23 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.45 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -55.98 -51.44 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.55 -55.37 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.917 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -46.73 88.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -43.27 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 65.1 110.933 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -70.91 -17.59 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.83 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.2 75.32 2.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.41 -12.5 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -79.68 -3.18 46.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 64.05 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.15 45.21 10.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 74.21 112.52 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.57 -22.35 19.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 73.01 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.58 -3.58 67.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 62.53 112.438 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.97 140.77 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 74.33 110.949 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -97.31 140.01 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 t -94.92 155.91 16.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.203 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -57.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 74.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.82 -42.72 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.858 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.4 ' HB3' ' HG ' ' A' ' 92' ' ' LEU . 28.6 tt0 -67.24 -36.79 82.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 74.53 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.7 m -74.78 -42.59 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 62.52 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 m -70.46 -43.19 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -63.44 -46.65 85.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 72.2 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.32 -24.08 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -28.09 14.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -55.37 -24.64 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.14 110.895 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -21.91 18.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.863 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.67 -9.1 66.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.491 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 42.4 mm -92.5 125.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.771 0.319 . . . . 74.32 111.14 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.69 -2.22 41.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.11 110.883 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -55.64 -24.82 35.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.04 -29.91 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 73.11 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.02 74.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 63.25 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -72.44 -31.44 65.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.37 -45.24 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 -31.65 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 70.52 111.158 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.0 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.903 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -78.87 -20.9 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.987 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.75 5.2 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.1 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.83 83.32 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.53 -16.84 60.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.05 111.124 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -100.96 -2.48 31.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.17 28.16 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 32.43 112.493 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -67.28 -21.46 65.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 75.12 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.71 0.88 82.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 73.12 112.456 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -147.45 161.27 41.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.355 . . . . 73.11 110.955 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 0.7 OUTLIER -121.8 123.32 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 70.42 111.123 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 10.9 t -88.02 -176.11 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.4 111.178 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 mt -48.75 -48.63 40.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 64.3 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.81 -54.83 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 124' ' ' ILE . 17.9 mt-10 -56.24 -40.87 74.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.891 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.85 -40.18 87.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.2 110.845 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 tp -70.56 -24.35 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.76 -17.51 38.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.882 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.891 0.376 . . . . 73.12 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -63.17 -42.17 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.807 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.21 -54.56 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 73.43 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.51 -52.82 63.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -51.8 -54.77 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -47.58 84.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.955 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -41.3 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.898 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -14.75 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.847 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.75 76.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 73.22 110.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.46 -12.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.13 111.075 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -80.03 -3.28 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.847 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.28 45.46 15.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 55.23 112.534 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -93.97 -23.67 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 75.24 110.873 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.69 65.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 72.53 112.536 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 13.7 ptmt -139.19 154.59 48.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 73.44 110.89 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 pp -123.4 143.52 50.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.932 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.23 157.41 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.16 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 8.7 mmtt -37.05 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -52.7 -44.73 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 62.14 110.933 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.15 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 74.55 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -32.53 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.137 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.1 m -73.15 -45.25 57.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.198 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.7 m -70.19 -37.69 75.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.92 -48.1 72.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.872 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -24.86 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.01 110.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -28.26 16.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -55.77 -24.58 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.893 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.98 -16.43 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 70.41 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.91 -6.72 73.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 65.35 112.444 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.51 131.63 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 74.32 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.22 -6.51 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 73.04 110.911 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.9 mmpm? -55.44 -24.36 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.989 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.83 -30.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.34 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.87 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.049 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.42 -41.57 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.894 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -64.59 -44.37 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.31 110.936 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.32 -30.38 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.43 111.136 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -42.69 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.9 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.07 -20.63 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.957 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.33 -19.32 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 52.42 111.071 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.81 81.98 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.896 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.2 -21.26 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 64.4 111.073 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -83.65 -2.82 56.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.84 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.94 30.06 4.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 70.02 112.513 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -75.39 -18.8 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.41 110.844 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.51 2.31 74.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -137.56 155.72 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.24 110.935 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.74 129.48 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.069 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 7.6 t -100.16 -177.42 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 71.33 111.163 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.19 -32.31 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.913 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -58.14 -55.26 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.837 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -45.8 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -55.14 -39.74 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 75.51 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.7 tp -73.92 -20.26 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -18.37 39.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.913 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.497 -0.241 . . . . 71.13 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -69.27 127.2 32.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 71.22 110.91 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.35 123.72 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.9 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -170.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.904 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 72' ' ' ASP . 1.0 OUTLIER -106.92 141.26 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.865 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -35.52 149.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 71.31 110.876 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.43 -23.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.42 12.33 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 75.44 110.891 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.527 ' N ' ' O ' ' A' ' 72' ' ' ASP . 6.5 tt -50.51 -39.9 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 73.43 111.123 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.3 -50.26 66.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 73.32 112.464 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -58.88 -44.46 91.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 75.1 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -62.25 -42.22 99.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 72.25 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.01 -54.92 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.182 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.99 -51.59 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.947 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.9 -55.27 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.868 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -42.78 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 75.3 110.877 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -38.59 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.936 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mmt -72.48 -12.03 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.55 110.879 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.54 74.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.25 110.866 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -60.48 -16.85 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.144 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.29 -2.85 50.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.878 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.07 45.27 20.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 70.23 112.466 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -94.57 -18.34 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 73.25 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.84 -3.41 75.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 73.3 112.502 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.1 OUTLIER -138.23 134.14 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 74.53 110.884 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.7 pp -97.36 142.34 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.923 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 9.0 t -92.34 157.18 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 72.1 111.142 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.34 -53.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.915 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.1 -44.78 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -61.99 -46.74 87.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.883 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -32.68 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.09 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.0 m -73.44 -37.53 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.162 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -39.56 75.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.849 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -67.85 -45.47 74.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 74.43 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -25.56 56.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.11 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -28.65 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -55.86 -28.46 56.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -15.6 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 72.32 110.831 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.23 3.9 89.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 63.11 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.4 mt -83.9 129.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 75.32 111.13 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.26 -17.35 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -54.79 -25.62 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 71.25 110.957 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.57 -29.46 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 73.54 111.104 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.44 111.09 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.53 -32.48 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.23 -44.86 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 74.42 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -31.38 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -35.34 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.936 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -84.3 -21.76 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.06 -16.62 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 70.51 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.72 82.47 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 72.35 110.893 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.38 -17.16 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.05 111.097 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.13 -2.28 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.36 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 73.13 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -70.34 -20.69 62.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 62.34 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.28 -1.37 88.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 43.14 112.47 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -147.16 156.75 43.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 75.41 110.967 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.73 131.82 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 75.41 111.137 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 11.0 t -89.26 -177.07 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.109 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mp -51.03 -42.61 60.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.902 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.56 -55.17 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.01 110.92 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -56.03 -46.93 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 71.15 110.899 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -54.93 -39.74 69.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.03 -19.2 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.937 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.81 -18.9 38.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 75.55 110.896 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.38 69.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.0 m -158.15 91.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 71.44 110.825 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.53 110.967 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.437 -0.265 . . . . 74.24 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.43 125.61 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 73.02 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.5 137.47 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 72.01 110.836 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 74.1 110.927 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 72' ' ' ASP . 0.9 OUTLIER -108.18 141.17 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 75' ' ' ILE . 1.1 m-20 -35.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.905 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -44.68 -23.01 0.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 63.53 110.82 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.38 12.04 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 72.53 110.92 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . 6.8 tt -50.73 -40.07 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.53 111.207 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.73 -44.4 97.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.766 . . . . 44.32 112.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.25 -48.97 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 75.35 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -47.33 85.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.896 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.47 -55.11 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 74.54 111.108 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.58 -39.55 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.57 -54.04 50.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.93 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.63 -44.0 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.5 110.823 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 tt -57.04 -42.01 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 10.0 mmt -71.46 -11.2 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.822 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.04 66.66 7.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 74.43 110.822 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.57 -18.57 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 70.51 111.169 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -80.95 -2.88 49.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.887 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.28 45.76 35.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 73.42 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -98.44 -23.87 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 74.55 110.801 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.68 2.17 63.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 72.32 112.467 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -145.16 138.73 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 72.42 110.859 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.54 144.87 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.94 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' LYS . 5.8 m -93.98 155.07 17.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.133 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 2.8 tttt -35.57 -45.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 71.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -69.15 -45.04 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' THR . 52.3 tt0 -62.76 -53.18 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.894 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.4 p -55.82 -38.28 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 74.14 111.162 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.4 m -67.29 -44.32 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.4 m -70.23 -36.99 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.867 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -62.43 -49.69 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 74.33 110.952 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -76.11 -27.18 57.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.87 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -28.83 42.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.52 110.889 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -56.99 -30.26 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 73.11 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -10.95 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 73.43 110.888 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.22 -3.62 84.24 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 74.25 112.529 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 1.8 tt -88.23 122.48 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 73.43 111.163 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.47 -14.67 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -25.97 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 74.43 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.67 -29.46 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 74.43 111.114 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.14 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 64.24 111.082 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.64 -33.34 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.87 -44.02 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.21 110.906 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.38 -31.05 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.13 111.142 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -35.59 46.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.51 110.903 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.41 -21.96 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.89 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.67 -19.08 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.44 111.067 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 82.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.65 -16.92 60.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 72.54 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.53 -2.81 34.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.26 29.65 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 72.33 112.536 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -70.76 -20.83 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 72.22 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 85.83 -2.08 87.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 71.14 112.528 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.44 161.37 36.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 74.22 110.957 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 2.5 pt -127.87 121.46 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 73.32 111.158 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.2 t -90.8 -177.26 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 75.35 111.147 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 mt -52.31 -31.13 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 63.03 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -58.65 -54.3 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.879 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.63 80.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.34 110.915 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -39.41 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.3 tp -74.55 -20.16 60.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 73.55 110.956 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.57 -18.75 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 45.53 110.859 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.33 70.36 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.3 m -158.74 91.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.887 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 62.03 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.23 126.1 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 64.31 110.897 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.31 139.82 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.44 110.909 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 64.44 110.878 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 72' ' ' ASP . 27.9 t -99.55 140.99 32.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.849 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -35.54 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 65.33 110.883 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.82 -22.75 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.844 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -83.37 11.65 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.851 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 72' ' ' ASP . 5.8 tt -50.27 -41.26 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 74.32 111.113 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.39 -44.57 97.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.698 -0.763 . . . . 71.31 112.481 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.24 -47.49 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 74.12 110.984 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.17 -43.74 98.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 64.25 110.926 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.51 -54.66 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.079 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -51.9 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.04 110.904 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -50.88 -55.5 16.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.916 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.32 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 73.52 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.4 -42.04 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.912 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -11.6 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.857 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.78 75.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 73.25 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.34 -13.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.12 111.116 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -79.96 -3.15 47.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 61.42 110.894 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.02 45.53 14.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 63.1 112.517 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -92.23 -22.46 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 72.2 110.896 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.41 -3.61 72.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.473 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.33 157.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 75.11 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 pp -123.86 143.47 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 72.01 110.856 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.91 156.81 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 72.35 111.097 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.6 tttt -37.65 -55.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.907 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.75 -44.35 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.23 110.887 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -61.01 -47.43 86.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.05 110.865 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -33.58 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.156 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 84.9 m -74.75 -31.03 61.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.111 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t -69.96 -47.39 62.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 71.23 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -75.91 -25.83 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.874 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -28.91 24.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.965 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -56.22 -25.21 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.926 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 -21.18 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.872 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.96 -5.24 78.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 53.52 112.577 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.15 127.97 38.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 75.55 111.083 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -101.11 -12.95 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -55.08 -26.39 37.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 73.53 110.918 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.2 p -52.2 -30.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 63.33 111.144 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.23 83.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 73.31 111.169 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.49 -31.87 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.856 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -71.87 -44.92 62.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.42 -31.25 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 75.1 111.132 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -35.53 48.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -83.2 -22.09 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.925 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.4 -18.85 32.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.12 111.07 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.36 82.48 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.33 110.847 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.94 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.44 111.049 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -86.87 -2.35 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.18 29.27 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 72.25 112.458 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -71.4 -20.71 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 75.51 110.904 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.42 1.62 76.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 60.44 112.572 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.21 158.97 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 73.24 110.943 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.74 127.16 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.123 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.8 t -90.42 -177.49 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.44 111.143 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.03 -36.56 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -59.91 -56.44 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.867 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.87 -44.63 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.65 -39.28 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.22 -19.97 60.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.58 -18.87 39.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.845 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.58 69.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.864 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.21 92.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 73.23 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.458 -0.257 . . . . 72.13 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.28 126.75 30.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 64.15 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.31 142.32 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.44 179.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 75.24 110.912 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' ASP . 1.1 m -106.17 141.33 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 55.53 110.801 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -35.55 149.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 73.33 110.801 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -44.69 -23.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.11 110.857 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.48 12.2 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 72' ' ' ASP . 6.6 tt -50.37 -41.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 75.41 111.107 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.76 -47.82 89.32 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.537 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.08 -52.97 62.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.863 0.363 . . . . 74.22 110.916 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -43.93 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.952 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.36 -53.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.33 111.134 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.27 -47.97 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 64.23 110.963 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -58.6 -55.39 35.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 75.1 110.863 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.9 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -24.22 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.943 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -36.03 72.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 75.34 110.884 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.53 78.5 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -57.35 -17.83 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.155 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -79.87 -2.22 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 70.13 110.855 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.25 45.87 34.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 73.24 112.481 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -97.62 -19.65 18.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 62.24 110.851 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.6 66.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 73.21 112.517 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -134.96 135.41 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 72.32 110.919 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.6 pp -96.62 140.61 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.853 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.5 t -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.24 111.142 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.12 -54.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.928 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -52.78 -45.0 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 73.41 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.04 -46.62 88.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.01 110.82 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -55.01 -32.71 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.123 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -73.47 -36.33 65.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.31 111.184 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -40.44 75.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -69.62 -44.13 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -24.67 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -28.55 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.02 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -24.55 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.894 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.28 -21.08 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.812 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.07 -5.44 75.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 75.34 112.521 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.83 130.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.831 0.348 . . . . 74.11 111.13 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -102.85 -10.91 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.45 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.901 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.43 -29.43 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.1 111.167 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.72 80.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.35 111.071 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -72.3 -32.33 66.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 73.31 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -45.11 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.899 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.72 -31.29 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 74.3 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 mmt -77.1 -36.16 55.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.63 -21.28 32.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 74.33 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.74 -19.19 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 73.25 111.132 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -94.18 83.53 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.923 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -19.11 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.25 111.087 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -83.31 -2.59 56.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 65.13 110.917 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.53 28.31 6.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 73.2 112.522 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.65 -23.41 64.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 64.41 110.861 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.73 -1.89 70.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 63.43 112.503 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.25 154.92 47.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 75.22 110.867 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.421 ' O ' ' CG1' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -124.7 128.16 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.121 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 9.0 t -85.94 -177.41 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.071 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mp -49.42 -47.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.913 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.81 -54.52 43.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.853 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -57.86 -38.26 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 75.51 110.856 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 64.34 110.909 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.46 -23.82 61.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -84.32 -18.0 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.11 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.18 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.83 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 64.5 m -159.03 91.69 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.871 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.48 -0.248 . . . . 74.53 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.24 126.07 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 74.21 110.897 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 125.22 24.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -176.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.867 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' ASP . 31.1 t -105.65 141.36 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.863 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -35.37 149.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.53 110.81 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.72 -22.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.837 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -83.34 12.09 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 73.13 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' ASP . 6.1 tt -50.36 -41.36 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 74.22 111.16 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -44.51 97.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 70.52 112.555 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.36 -48.29 80.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 64.24 110.943 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -62.12 -45.37 93.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.94 -53.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.43 111.106 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -50.25 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.32 110.871 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -50.45 -54.76 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.52 110.914 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -45.98 88.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 71.25 110.864 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -41.69 71.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 73.12 110.853 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.2 mmm -71.62 -14.51 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.915 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.08 74.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.5 -15.4 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 70.03 111.197 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -80.47 -3.28 49.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 71.25 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.95 45.6 14.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 44.52 112.498 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -92.92 -20.7 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.99 0.27 68.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 72.25 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.98 161.34 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 73.31 110.879 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.8 mt -123.18 148.42 45.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.12 110.879 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -93.97 152.84 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.145 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -36.69 -61.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.862 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -53.99 -44.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.835 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.24 -49.15 78.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.913 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.1 t -50.68 -45.51 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 74.03 111.163 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -69.29 -30.39 68.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 65.24 111.114 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -70.56 -50.09 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 74.42 110.841 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.35 -39.42 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.53 110.9 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -76.37 -26.4 55.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 72.02 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -28.7 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -56.04 -24.86 42.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.884 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -87.72 -22.38 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.858 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -13.64 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 71.03 112.533 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mt -80.88 130.59 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 74.31 111.086 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.24 -15.94 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.835 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -54.94 -26.31 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.2 p -52.26 -29.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.55 111.082 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 71.25 111.121 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.87 -31.61 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.04 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -73.36 -44.21 59.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.74 -31.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 73.41 111.127 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -35.96 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 74.34 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -81.86 -22.1 37.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.73 -18.36 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.094 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.31 81.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 73.2 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.61 -28.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 71.32 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -84.06 -2.46 56.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.32 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.6 29.42 7.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 74.31 112.484 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -71.48 -21.09 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 75.21 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.49 0.37 84.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -147.5 161.05 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 75.21 110.959 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.475 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 1.0 OUTLIER -119.56 125.21 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.24 111.153 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.472 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 9.0 t -83.6 -177.77 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.52 -48.18 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.906 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.03 -52.55 58.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.83 -47.6 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.869 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.35 -39.9 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.9 tp -73.39 -20.31 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 74.3 110.928 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.93 -18.35 40.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.53 69.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 63.24 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.28 91.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.921 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 64.12 110.941 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.489 -0.244 . . . . 71.05 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.27 125.68 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 74.4 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.43 129.18 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 65.43 110.797 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.02 178.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.871 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' ASP . 1.1 m -105.07 141.3 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 62.45 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -35.38 149.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 70.24 110.856 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -44.72 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.905 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -83.41 11.92 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.885 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 72' ' ' ASP . 6.3 tt -50.72 -41.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 74.2 111.122 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.15 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 64.55 112.504 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -63.54 -52.67 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.34 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -57.43 -47.23 82.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.4 110.912 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.23 -51.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.164 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -53.58 52.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.915 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -50.64 -54.92 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 72.34 110.923 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -42.79 96.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 75.14 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -39.69 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.45 110.937 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -14.63 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.2 75.42 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.85 -14.24 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 65.2 111.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -79.23 -3.26 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.942 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.21 45.56 10.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 64.32 112.474 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -94.39 -21.29 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 72.13 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.6 68.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 73.24 112.49 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -138.65 143.35 39.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 72.54 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.8 140.26 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.923 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.0 t -94.22 155.65 16.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.178 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -57.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.863 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.18 -41.38 60.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.06 -37.46 81.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.53 110.853 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.21 -33.7 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.33 111.14 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.5 m -75.69 -38.72 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 54.12 111.172 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -45.96 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 71.03 110.821 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -64.77 -43.98 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -76.89 -23.58 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -27.64 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.54 110.862 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -54.79 -24.64 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 75.23 110.856 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.61 -25.57 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.35 110.844 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -9.9 65.1 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 63.33 112.473 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.4 mm -95.27 122.03 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 75.03 111.126 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -0.99 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.876 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -24.64 40.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.13 110.889 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.85 -29.61 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.5 111.155 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.71 82.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -72.9 -32.04 65.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -44.68 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.3 110.939 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.38 -31.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 64.44 111.128 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.91 -37.94 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.835 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.06 -21.21 43.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.927 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.21 -19.06 24.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.45 111.149 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.19 82.93 6.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.805 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -18.88 60.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.04 111.027 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -83.59 -2.09 55.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 74.11 110.915 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.63 28.71 11.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 74.31 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.15 -22.5 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.34 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.5 3.64 72.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 53.22 112.509 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -149.8 161.5 42.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 71.44 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 0.7 OUTLIER -124.12 123.47 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 75.43 111.117 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 10.4 t -88.16 -176.54 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mp -48.64 -48.66 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.923 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.49 -54.55 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.402 ' HB2' ' HB ' ' A' ' 124' ' ' ILE . 18.3 mt-10 -56.12 -41.75 75.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.869 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.99 -41.04 86.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 73.4 110.863 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.58 -24.39 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.56 -17.55 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 71.23 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -111.96 70.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.51 110.863 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.87 91.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.859 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.885 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.258 . . . . 62.32 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.26 125.05 29.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 74.51 110.887 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.54 142.64 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.843 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.61 169.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' ASP . 37.4 m -99.98 140.61 33.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.878 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -35.0 148.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.807 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.53 -22.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 71.3 110.837 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.6 10.71 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.874 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 72' ' ' ASP . 4.3 tp -51.38 -39.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.179 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.59 72.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.78 -0.724 . . . . 74.04 112.54 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp -58.54 -51.71 68.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 74.33 110.882 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -45.95 80.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.13 110.849 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.13 -51.61 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.54 111.154 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.39 -53.45 53.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.19 -55.38 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.827 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -43.64 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.13 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -40.28 71.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.929 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -12.57 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.873 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.18 76.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 73.43 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.51 -13.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 71.35 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -79.53 -3.29 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.919 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.81 45.69 9.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 73.14 112.431 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.48 -20.73 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 75.34 110.825 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.53 -4.26 69.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 73.4 112.471 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.3 OUTLIER -138.26 155.82 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 71.2 110.853 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.43 140.14 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 72.52 110.919 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.3 t -93.93 156.05 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.1 111.09 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.46 -57.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.877 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -51.45 -41.02 60.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.57 -37.2 79.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.857 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.13 -33.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.114 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.3 m -75.11 -41.65 58.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.164 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -43.76 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 75.4 110.842 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -64.17 -45.46 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.925 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.5 -24.38 53.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -27.92 13.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.933 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.36 -24.58 30.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.52 110.913 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -89.03 -23.67 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 74.12 110.87 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.71 -3.57 74.67 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.686 -0.768 . . . . 63.55 112.463 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.3 mp -94.75 132.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 72.32 111.169 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -97.65 -7.96 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.888 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -24.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 72.15 110.899 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.75 -29.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.089 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.02 74.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.034 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -73.1 -33.11 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -73.75 -44.25 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.944 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.69 -31.61 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 74.42 111.128 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -37.63 42.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.34 110.884 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.66 -20.97 41.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.76 -1.36 57.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 70.12 111.125 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 82.68 5.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.73 -18.12 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 72.21 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.31 -2.51 36.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.839 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.52 27.9 6.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.55 112.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -67.1 -21.38 65.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 73.1 110.818 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.01 3.3 74.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 71.42 112.455 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.69 161.34 42.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 74.13 110.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 0.9 OUTLIER -124.1 125.18 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 74.41 111.106 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.0 t -87.34 -176.69 5.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.106 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -49.07 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.897 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.66 -53.02 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.853 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -54.45 -46.36 73.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.883 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.02 -40.95 82.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.4 tp -66.72 -24.97 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.04 110.903 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.2 -17.63 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.883 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.85 69.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.896 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.22 91.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.34 110.896 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.444 -0.262 . . . . 75.31 112.444 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -69.23 125.11 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 74.14 110.969 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.44 142.57 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 73.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 75.22 110.889 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 72' ' ' ASP . 22.5 m -107.05 140.83 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.869 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -34.76 147.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 65.2 110.821 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.5 -23.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.87 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -83.79 11.51 7.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.834 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' ASP . 4.1 tp -52.25 -41.26 33.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 74.5 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -50.38 66.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 72.23 112.431 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.04 -48.31 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.86 0.362 . . . . 73.55 110.912 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -61.51 -44.0 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 74.05 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.68 -52.46 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 72.24 111.14 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.06 -53.18 60.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -50.75 -55.08 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.858 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.11 -41.74 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 72.53 110.971 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.5 mmt -71.72 -11.7 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.887 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -103.21 73.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.24 -16.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 62.15 111.145 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -80.26 -3.41 49.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 71.54 110.847 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.8 45.43 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 64.45 112.531 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -92.05 -22.63 19.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.835 0.35 . . . . 71.24 110.832 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.39 -3.99 70.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 61.4 112.468 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 1.2 pttp -138.35 157.21 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 72.51 110.919 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.72 142.51 51.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 73.24 110.932 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' LYS . 6.1 t -92.68 156.22 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.14 111.126 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.5 OUTLIER -37.71 -54.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.911 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.34 -44.37 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -64.21 -40.99 97.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.869 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -32.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 73.5 111.103 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.2 m -72.82 -45.14 60.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.187 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -70.35 -38.65 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.27 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -25.14 54.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.02 110.843 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -28.37 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -55.86 -24.72 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -96.53 -15.82 21.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 73.22 110.827 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.1 -5.97 75.77 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 72.41 112.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mt -88.68 131.35 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 74.14 111.16 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.82 -8.72 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 64.21 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -24.77 28.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 73.25 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -31.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 73.12 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.49 -47.27 86.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 70.41 111.126 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.52 -29.56 63.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -44.93 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.873 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.18 -31.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.52 111.096 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.61 -34.18 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.88 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -84.66 -23.87 29.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.852 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.76 -18.14 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 50.52 111.117 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.08 82.27 6.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.54 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 73.12 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -92.91 -2.62 55.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.15 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.78 29.81 6.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 71.24 112.483 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -73.74 -19.76 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 54.13 110.816 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.6 75.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 73.24 112.567 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.67 157.25 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 63.33 110.913 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -131.54 127.88 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 75.11 111.152 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.9 t -89.9 -177.06 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 74.53 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -39.92 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.95 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.75 -56.51 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.881 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.82 -45.53 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.58 -38.63 72.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 72.3 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.41 -20.27 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.14 110.931 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -18.81 39.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 63.2 110.971 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -109.5 70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.834 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.0 m -158.24 91.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 75.12 110.938 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 75.22 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.54 -0.224 . . . . 54.33 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.22 161.17 29.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 73.52 110.985 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.5 121.69 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.852 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.02 103.61 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.002 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' ASP . 1.8 m -110.19 141.02 43.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 64.22 110.837 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 75' ' ' ILE . 1.3 m-20 -35.23 148.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 75.33 110.953 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -45.05 -23.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.811 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.42 11.58 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.916 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.96 -34.25 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.52 111.083 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.26 -49.82 43.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 74.35 112.457 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.92 -47.01 88.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 73.31 110.93 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -51.86 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.959 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.24 -52.23 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 74.45 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -55.98 -51.44 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.55 -55.37 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.917 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -46.73 88.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.79 -43.27 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 65.1 110.933 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -70.91 -17.59 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.83 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.2 75.32 2.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.41 -12.5 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -79.68 -3.18 46.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 64.05 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.15 45.21 10.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 74.21 112.52 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.57 -22.35 19.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 73.01 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.58 -3.58 67.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 62.53 112.438 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.97 140.77 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 74.33 110.949 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HG ' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -97.31 140.01 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.8 t -94.92 155.91 16.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.203 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -57.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 74.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.82 -42.72 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.858 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' HB3' ' HG ' ' A' ' 92' ' ' LEU . 28.6 tt0 -67.24 -36.79 82.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 65.34 110.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 74.53 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.7 m -74.78 -42.59 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 62.52 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 m -70.46 -43.19 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -63.44 -46.65 85.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 72.2 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.32 -24.08 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -28.09 14.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -55.37 -24.64 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 75.14 110.895 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -21.91 18.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.863 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.67 -9.1 66.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.491 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 42.4 mm -92.5 125.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.771 0.319 . . . . 74.32 111.14 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.69 -2.22 41.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.11 110.883 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -55.64 -24.82 35.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.04 -29.91 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 73.11 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.02 74.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 63.25 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -72.44 -31.44 65.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.37 -45.24 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.94 -31.65 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 70.52 111.158 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.0 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.903 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -78.87 -20.9 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.987 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.75 5.2 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.1 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.83 83.32 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.53 -16.84 60.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.05 111.124 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -100.96 -2.48 31.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.17 28.16 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 32.43 112.493 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -67.28 -21.46 65.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 75.12 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.71 0.88 82.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 73.12 112.456 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -147.45 161.27 41.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.355 . . . . 73.11 110.955 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 124' ' ' ILE . 0.7 OUTLIER -121.8 123.32 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 70.42 111.123 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 10.9 t -88.02 -176.11 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.4 111.178 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.7 mt -48.75 -48.63 40.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 64.3 110.907 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.81 -54.83 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 124' ' ' ILE . 17.9 mt-10 -56.24 -40.87 74.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.14 110.891 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.85 -40.18 87.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 65.2 110.845 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 tp -70.56 -24.35 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.76 -17.51 38.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.845 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.09 70.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.882 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.0 m -158.56 91.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 73.11 110.874 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.32 110.933 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.54 -0.224 . . . . 75.51 112.54 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 127.05 31.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 73.52 110.963 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.72 127.55 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 71.35 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.71 177.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 74.12 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 72' ' ' ASP . 36.5 m -103.42 140.99 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.841 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -34.9 147.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 71.02 110.862 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -45.32 -23.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.851 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -83.85 11.71 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 72' ' ' ASP . 3.9 tp -51.42 -41.62 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.54 111.177 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.33 -52.18 53.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.777 . . . . 64.05 112.456 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.73 -44.34 85.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.891 0.376 . . . . 73.12 110.945 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -63.17 -42.17 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.807 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.21 -54.56 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 73.43 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.51 -52.82 63.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -51.8 -54.77 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.893 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -47.58 84.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.955 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -41.3 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.898 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -14.75 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.847 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.75 76.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 73.22 110.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.46 -12.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 73.13 111.075 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -80.03 -3.28 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.847 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.28 45.46 15.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 55.23 112.534 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -93.97 -23.67 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 75.24 110.873 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.69 65.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 72.53 112.536 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 13.7 ptmt -139.19 154.59 48.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 73.44 110.89 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 pp -123.4 143.52 50.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.932 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.23 157.41 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.31 111.16 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 8.7 mmtt -37.05 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -52.7 -44.73 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 62.14 110.933 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.15 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 74.55 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -32.53 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 72.31 111.137 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.1 m -73.15 -45.25 57.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.198 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.7 m -70.19 -37.69 75.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.92 -48.1 72.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.872 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -24.86 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 73.01 110.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -28.26 16.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -55.77 -24.58 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.893 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.98 -16.43 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 70.41 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.91 -6.72 73.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 65.35 112.444 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.51 131.63 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 74.32 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.22 -6.51 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 73.04 110.911 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.9 mmpm? -55.44 -24.36 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.989 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.83 -30.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.34 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.59 -41.87 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.049 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.42 -41.57 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.894 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -64.59 -44.37 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.31 110.936 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.32 -30.38 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.43 111.136 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -42.69 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.4 110.9 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.07 -20.63 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.957 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.33 -19.32 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 52.42 111.071 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.81 81.98 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.896 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.2 -21.26 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 64.4 111.073 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -83.65 -2.82 56.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.35 110.84 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.94 30.06 4.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 70.02 112.513 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -75.39 -18.8 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.41 110.844 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.51 2.31 74.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 74.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -137.56 155.72 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.24 110.935 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.74 129.48 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.069 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 7.6 t -100.16 -177.42 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 71.33 111.163 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.19 -32.31 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.913 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -58.14 -55.26 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.837 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -45.8 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -55.14 -39.74 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 75.51 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.7 tp -73.92 -20.26 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.92 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -18.37 39.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -109.27 70.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.7 m -158.26 91.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.876 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 74.299999999999997 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -62.25 -42.22 99.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 65.340000000000003 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.01 -54.92 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 73.439999999999998 111.182 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.99 -51.59 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.947 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.579 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.5 t80 -51.9 -55.27 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 51.340000000000003 110.868 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -42.78 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 63.109999999999999 110.877 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -38.59 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.936 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mmt -72.48 -12.03 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.549999999999997 110.879 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.54 74.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 54.450000000000003 110.866 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -60.48 -16.85 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 111.144 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.29 -2.85 50.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.420000000000002 110.878 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.07 45.27 20.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 70.230000000000004 112.466 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -94.57 -18.34 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 63.200000000000003 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.84 -3.41 75.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 73.299999999999997 112.502 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.1 OUTLIER -138.23 134.14 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 53.439999999999998 110.884 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 97' ' ' VAL . 2.7 pp -97.36 142.34 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.923 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 9.0 t -92.34 157.18 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 55.109999999999999 111.142 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.34 -53.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 64.400000000000006 110.915 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.1 -44.78 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 93' ' ' THR . 18.3 tt0 -61.99 -46.74 87.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.439999999999998 110.883 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.83 -32.68 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.09 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.0 m -73.44 -37.53 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 111.162 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -39.56 75.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 54.340000000000003 110.849 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -67.85 -45.47 74.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.209999999999994 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -25.56 56.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.540000000000006 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -28.65 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 64.150000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -55.86 -28.46 56.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.340000000000003 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.625 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -92.93 -15.6 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 72.319999999999993 110.831 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.23 3.9 89.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 41.409999999999997 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' HB3' ' A' ' 104' ' ' HIS . 9.4 mt -83.9 129.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 42.240000000000002 111.13 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.26 -17.35 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -54.79 -25.62 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 60.539999999999999 110.957 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.57 -29.46 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 61.43 111.104 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 111.09 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.53 -32.48 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.23 -44.86 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 71.329999999999998 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -31.38 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 71.519999999999996 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -35.34 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.150000000000006 110.936 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -84.3 -21.76 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.06 -16.62 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 70.510000000000005 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.72 82.47 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.149999999999999 110.893 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.38 -17.16 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.219999999999999 111.097 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.13 -2.28 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.36 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 33.299999999999997 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -70.34 -20.69 62.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 62.340000000000003 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.28 -1.37 88.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 41.420000000000002 112.47 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -147.16 156.75 43.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 75.409999999999997 110.967 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -122.73 131.82 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 111.137 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 128' ' ' GLU . 11.0 t -89.26 -177.07 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 111.109 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mp -51.03 -42.61 60.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.902 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.56 -55.17 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.439999999999998 110.92 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 125' ' ' THR . 14.2 mt-10 -56.03 -46.93 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 61.109999999999999 110.899 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -54.93 -39.74 69.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.120000000000005 110.875 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.03 -19.2 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.937 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.81 -18.9 38.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 110.896 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.340000000000003 110.863 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 73.129999999999995 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.705 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -59.54 -47.33 85.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 110.896 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.47 -55.11 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 52.43 111.108 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.58 -39.55 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.099999999999994 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.622 ' CE2' HD22 ' A' ' 92' ' ' LEU . 31.3 t80 -56.57 -54.04 50.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 65.200000000000003 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.63 -44.0 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.230000000000004 110.823 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 83' ' ' LEU . 2.3 tt -57.04 -42.01 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 70.120000000000005 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 10.0 mmt -71.46 -11.2 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 64.439999999999998 110.822 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.04 66.66 7.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 74.430000000000007 110.822 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.57 -18.57 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 70.510000000000005 111.169 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -80.95 -2.88 49.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 110.887 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.28 45.76 35.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 73.420000000000002 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -98.44 -23.87 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 74.439999999999998 110.801 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.68 2.17 63.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.420000000000002 112.467 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -145.16 138.73 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 70.140000000000001 110.859 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CE2' ' A' ' 81' ' ' PHE . 2.3 mp -96.54 144.87 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.94 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 123' ' ' TYR . 5.8 m -93.98 155.07 17.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 111.133 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 2.8 tttt -35.57 -45.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 64.299999999999997 110.888 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -69.15 -45.04 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' THR . 52.3 tt0 -62.76 -53.18 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 73.150000000000006 110.894 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.4 p -55.82 -38.28 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 71.209999999999994 111.162 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.4 m -67.29 -44.32 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.4 m -70.23 -36.99 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.430000000000007 110.867 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 92' ' ' LEU . 3.3 m-85 -62.43 -49.69 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 61.219999999999999 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CB ' HG11 ' A' ' 109' ' ' VAL . 2.7 m-85 -76.11 -27.18 57.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.439999999999998 110.87 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -28.83 42.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.889 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -56.99 -30.26 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 51.100000000000001 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -10.95 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 110.888 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.22 -3.62 84.24 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 74.25 112.529 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 106' ' ' ILE . 1.8 tt -88.23 122.48 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 62.219999999999999 111.163 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.47 -14.67 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.901 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -25.97 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 63.109999999999999 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 101' ' ' PHE . 7.2 p -51.67 -29.46 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 71.219999999999999 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.14 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.082 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.64 -33.34 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.310000000000002 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.87 -44.02 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 110.906 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.524 HG23 HG21 ' A' ' 124' ' ' ILE . 8.1 p -69.38 -31.05 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 42.149999999999999 111.142 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -35.59 46.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.310000000000002 110.903 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.41 -21.96 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.329999999999998 110.89 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.67 -19.08 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.439999999999998 111.067 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 82.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.65 -16.92 60.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 70.200000000000003 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.53 -2.81 34.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 70.109999999999999 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.26 29.65 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 72.329999999999998 112.536 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -70.76 -20.83 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 52.119999999999997 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 85.83 -2.08 87.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 54.329999999999998 112.528 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 93' ' ' THR . 7.6 m-85 -136.44 161.37 36.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 74.040000000000006 110.957 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.524 HG21 HG23 ' A' ' 113' ' ' VAL . 2.5 pt -127.87 121.46 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 61.409999999999997 111.158 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 127' ' ' GLU . 13.2 t -90.8 -177.26 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 75.349999999999994 111.147 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt -52.31 -31.13 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 60.310000000000002 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 125' ' ' THR . 55.8 mm-40 -58.65 -54.3 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.879 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.495 ' OE1' HG22 ' A' ' 124' ' ' ILE . 0.7 OUTLIER -56.45 -45.63 80.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.340000000000003 110.915 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -39.41 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 130' ' ' LEU . 13.3 tp -74.55 -20.16 60.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.956 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.57 -18.75 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 44.100000000000001 110.859 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.902 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.904 0.383 . . . . 74.120000000000005 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.718 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -62.17 -43.74 98.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 64.25 110.926 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.51 -54.66 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 71.239999999999995 111.079 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -51.9 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.040000000000006 110.904 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 92' ' ' LEU . 7.9 t80 -50.88 -55.5 16.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.916 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.32 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.120000000000005 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -55.4 -42.04 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 45.409999999999997 110.912 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -11.6 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.120000000000005 110.857 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.78 75.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 72.099999999999994 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.34 -13.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.120000000000005 111.116 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -79.96 -3.15 47.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 54.340000000000003 110.894 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.02 45.53 14.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 52.509999999999998 112.517 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -92.23 -22.46 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 72.200000000000003 110.896 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.41 -3.61 72.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 64.310000000000002 112.473 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.33 157.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 73.230000000000004 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 97' ' ' VAL . 3.1 pp -123.86 143.47 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 63.43 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 96' ' ' GLU . 8.8 t -91.91 156.81 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 72.349999999999994 111.097 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.6 tttt -37.65 -55.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.109999999999999 110.907 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.75 -44.35 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 62.109999999999999 110.887 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 93' ' ' THR . 14.4 tt0 -61.01 -47.43 86.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.049999999999997 110.865 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.602 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.74 -33.58 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 111.156 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 84.9 m -74.75 -31.03 61.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 71.109999999999999 111.111 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t -69.96 -47.39 62.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 54.240000000000002 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.409999999999997 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' A' ' 109' ' ' VAL . 11.1 m-85 -75.91 -25.83 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.874 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -28.91 24.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.965 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -56.22 -25.21 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 43.450000000000003 110.926 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.67 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -96.61 -21.18 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.420000000000002 110.872 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.96 -5.24 78.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 53.520000000000003 112.577 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 104' ' ' HIS . 5.9 mt -79.15 127.97 38.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 75.549999999999997 111.083 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -101.11 -12.95 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 65.409999999999997 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -55.08 -26.39 37.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 73.310000000000002 110.918 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 101' ' ' PHE . 10.2 p -52.2 -30.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 63.329999999999998 111.144 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.23 83.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.109999999999999 111.169 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.49 -31.87 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.856 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -71.87 -44.92 62.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.42 -31.25 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -35.53 48.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 63.539999999999999 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -83.2 -22.09 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.329999999999998 110.925 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.4 -18.85 32.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.020000000000003 111.07 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.36 82.48 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.120000000000005 110.847 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.94 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.439999999999998 111.049 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -86.87 -2.35 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.229999999999997 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.18 29.27 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 61.32 112.458 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -71.4 -20.71 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 71.200000000000003 110.904 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.42 1.62 76.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 60.439999999999998 112.572 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.21 158.97 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 73.239999999999995 110.943 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.438 HD11 ' HD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -130.74 127.16 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 111.123 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.8 t -90.42 -177.49 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.439999999999998 111.143 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.718 HD22 ' HD3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -52.03 -36.56 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 110.895 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 125' ' ' THR . 22.6 mm-40 -59.91 -56.44 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.867 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.87 -44.63 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.519999999999996 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.438 ' HD1' HD11 ' A' ' 124' ' ' ILE . 6.2 t80 -56.65 -39.28 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.944 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.22 -19.97 60.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.58 -18.87 39.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 110.845 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.319999999999993 110.864 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.863 0.363 . . . . 74.219999999999999 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -43.93 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 60.530000000000001 110.952 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.36 -53.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.239999999999995 111.134 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.27 -47.97 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 60.340000000000003 110.963 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HE2' HD23 ' A' ' 92' ' ' LEU . 22.4 t80 -58.6 -55.39 35.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 73.349999999999994 110.863 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.9 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -24.22 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 70.030000000000001 110.943 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -36.03 72.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 75.340000000000003 110.884 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.53 78.5 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -57.35 -17.83 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 111.155 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -79.87 -2.22 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 64.319999999999993 110.855 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.25 45.87 34.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 73.239999999999995 112.481 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -97.62 -19.65 18.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 62.240000000000002 110.851 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.6 66.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 73.209999999999994 112.517 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -134.96 135.41 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 63.219999999999999 110.919 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 HG23 ' A' ' 97' ' ' VAL . 1.6 pp -96.62 140.61 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.853 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.5 t -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 111.142 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.12 -54.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 71.530000000000001 110.928 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -52.78 -45.0 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 72.239999999999995 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.04 -46.62 88.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.010000000000005 110.82 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.01 -32.71 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.420000000000002 111.123 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -73.47 -36.33 65.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 111.184 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -40.44 75.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -69.62 -44.13 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -24.67 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -28.55 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 71.420000000000002 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -24.55 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.894 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.28 -21.08 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 70.549999999999997 110.812 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.07 -5.44 75.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 32.240000000000002 112.521 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.83 130.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.831 0.348 . . . . 74.109999999999999 111.13 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -102.85 -10.91 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.45 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.030000000000001 110.901 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.43 -29.43 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.240000000000002 111.167 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.72 80.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 53.32 111.071 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -72.3 -32.33 66.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -45.11 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 74.140000000000001 110.899 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.72 -31.29 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 mmt -77.1 -36.16 55.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.120000000000005 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.63 -21.28 32.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 63.450000000000003 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.74 -19.19 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 73.25 111.132 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -94.18 83.53 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.923 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -19.11 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.25 111.087 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -83.31 -2.59 56.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 62.140000000000001 110.917 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.53 28.31 6.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 73.200000000000003 112.522 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.65 -23.41 64.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 64.409999999999997 110.861 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.73 -1.89 70.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 54.119999999999997 112.503 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.25 154.92 47.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 75.219999999999999 110.867 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -124.7 128.16 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.121 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -85.94 -177.41 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.319999999999993 111.071 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.533 HD12 ' H ' ' A' ' 126' ' ' LEU . 4.8 mp -49.42 -47.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.81 -54.52 43.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.129999999999995 110.853 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 125' ' ' THR . 16.0 mt-10 -57.86 -38.26 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.856 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.402 ' HA ' HD11 ' A' ' 124' ' ' ILE . 91.0 t80 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 55.009999999999998 110.909 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 130' ' ' LEU . 12.7 tp -72.46 -23.82 61.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 71.109999999999999 110.907 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -84.32 -18.0 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.109999999999999 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.83 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 130' ' ' LEU . 13.1 tp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.944 0.402 . . . . 54.420000000000002 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -62.12 -45.37 93.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.020000000000003 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.94 -53.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.430000000000007 111.106 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -50.25 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.871 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.536 ' CD1' HD23 ' A' ' 126' ' ' LEU . 22.8 t80 -50.45 -54.76 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.519999999999996 110.914 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -45.98 88.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.864 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.07 -41.69 71.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 73.120000000000005 110.853 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.2 mmm -71.62 -14.51 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.915 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.08 74.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.5 -15.4 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 70.030000000000001 111.197 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -80.47 -3.28 49.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 71.25 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.95 45.6 14.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 43.530000000000001 112.498 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -92.92 -20.7 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.129999999999995 110.899 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.99 0.27 68.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 72.25 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.98 161.34 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 63.439999999999998 110.879 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 96' ' ' GLU . 68.8 mt -123.18 148.42 45.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.319999999999993 110.879 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -93.97 152.84 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.145 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -36.69 -61.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 65.140000000000001 110.862 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -53.99 -44.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.835 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' HD22 ' A' ' 92' ' ' LEU . 37.2 tt0 -60.24 -49.15 78.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 62.399999999999999 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 113' ' ' VAL . 49.1 t -50.68 -45.51 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.099999999999994 111.163 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -69.29 -30.39 68.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 65.239999999999995 111.114 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -70.56 -50.09 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 55.310000000000002 110.841 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.35 -39.42 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.530000000000001 110.9 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.822 ' HB3' HG11 ' A' ' 109' ' ' VAL . 1.8 t80 -76.37 -26.4 55.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 60.119999999999997 110.828 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -28.7 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.030000000000001 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -56.04 -24.86 42.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.239999999999995 110.884 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.4 t-160 -87.72 -22.38 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 75.239999999999995 110.858 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -13.64 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 51.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 104' ' ' HIS . 3.5 mt -80.88 130.59 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 74.310000000000002 111.086 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.24 -15.94 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 44.32 110.835 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -54.94 -26.31 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.822 HG11 ' HB3' ' A' ' 101' ' ' PHE . 7.2 p -52.26 -29.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.010000000000005 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 63.32 111.121 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.87 -31.61 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.040000000000006 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -73.36 -44.21 59.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 97' ' ' VAL . 7.5 p -68.74 -31.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 73.150000000000006 111.127 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -35.96 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 74.340000000000003 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -81.86 -22.1 37.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 42.25 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.73 -18.36 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 60.409999999999997 111.094 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.31 81.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 73.200000000000003 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.61 -28.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 65.430000000000007 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -84.06 -2.46 56.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.319999999999993 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.6 29.42 7.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 62.299999999999997 112.484 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -71.48 -21.09 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 62.43 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.49 0.37 84.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 72.450000000000003 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -147.5 161.05 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 75.209999999999994 110.959 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.655 HG21 HG23 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -119.56 125.21 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 111.153 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.611 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -83.6 -177.77 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.129999999999995 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -52.52 -48.18 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.906 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.03 -52.55 58.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 42.009999999999998 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HG3' HG22 ' A' ' 125' ' ' THR . 8.0 mt-10 -55.83 -47.6 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 110.869 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.35 -39.9 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.519999999999996 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 77' ' ' LEU . 13.9 tp -73.39 -20.31 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 73.140000000000001 110.928 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.93 -18.35 40.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 63.240000000000002 110.861 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 72.209999999999994 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -57.43 -47.23 82.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 62.210000000000001 110.912 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.23 -51.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 70.510000000000005 111.164 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -53.58 52.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.915 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -50.64 -54.92 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 65.409999999999997 110.923 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -42.79 96.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.62 -39.69 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.450000000000003 110.937 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -14.63 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.905 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.2 75.42 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.85 -14.24 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 65.200000000000003 111.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -79.23 -3.26 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 110.942 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.21 45.56 10.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 64.319999999999993 112.474 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -94.39 -21.29 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 42.030000000000001 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.6 68.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 73.239999999999995 112.49 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -138.65 143.35 39.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 72.310000000000002 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.8 140.26 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.923 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 96' ' ' GLU . 14.0 t -94.22 155.65 16.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.178 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -57.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 53.130000000000003 110.863 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.18 -41.38 60.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.210000000000001 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 92' ' ' LEU . 27.8 tt0 -68.06 -37.46 81.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.400000000000006 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.911 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.21 -33.7 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.329999999999998 111.14 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.5 m -75.69 -38.72 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 54.119999999999997 111.172 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -45.96 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.530000000000001 110.821 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -64.77 -43.98 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -76.89 -23.58 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -27.64 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 64.019999999999996 110.862 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -54.79 -24.64 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 75.230000000000004 110.856 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.61 -25.57 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.349999999999994 110.844 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -9.9 65.1 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 63.210000000000001 112.473 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.568 HG22 ' H ' ' A' ' 108' ' ' LYS . 43.4 mm -95.27 122.03 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 75.030000000000001 111.126 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -0.99 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.876 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.568 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -56.01 -24.64 40.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 62.530000000000001 110.889 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.85 -29.61 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.5 111.155 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.71 82.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -72.9 -32.04 65.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 71.530000000000001 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -44.68 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.299999999999997 110.939 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.38 -31.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 62.149999999999999 111.128 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.91 -37.94 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 110.835 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.06 -21.21 43.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 61.119999999999997 110.927 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.21 -19.06 24.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.450000000000003 111.149 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.19 82.93 6.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.129999999999995 110.805 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -18.88 60.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.040000000000006 111.027 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -83.59 -2.09 55.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 74.109999999999999 110.915 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.63 28.71 11.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 74.310000000000002 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.15 -22.5 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.340000000000003 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.5 3.64 72.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 31.25 112.509 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -149.8 161.5 42.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 71.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.51 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -124.12 123.47 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 73.420000000000002 111.117 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.4 t -88.16 -176.54 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.504 HD12 ' H ' ' A' ' 126' ' ' LEU . 4.8 mp -48.64 -48.66 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.120000000000005 110.923 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.49 -54.55 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 64.040000000000006 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.704 ' HG3' HG22 ' A' ' 125' ' ' THR . 18.3 mt-10 -56.12 -41.75 75.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.150000000000006 110.869 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.99 -41.04 86.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 73.019999999999996 110.863 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.58 -24.39 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.310000000000002 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.56 -17.55 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.310000000000002 110.863 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.914 0.388 . . . . 74.329999999999998 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -45.95 80.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.129999999999995 110.849 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.13 -51.61 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 111.154 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.39 -53.45 53.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 63.140000000000001 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.19 -55.38 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.400000000000006 110.827 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -43.64 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.64 -40.28 71.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.450000000000003 110.929 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -12.57 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 72.109999999999999 110.873 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.18 76.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 54.520000000000003 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.51 -13.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 71.209999999999994 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -79.53 -3.29 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 74.519999999999996 110.919 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.81 45.69 9.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 70.109999999999999 112.431 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.48 -20.73 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 75.340000000000003 110.825 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.53 -4.26 69.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 73.400000000000006 112.471 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.3 OUTLIER -138.26 155.82 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 62.420000000000002 110.853 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.876 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.43 140.14 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.409999999999997 110.919 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 96' ' ' GLU . 4.3 t -93.93 156.05 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 111.09 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -40.46 -57.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.877 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -51.45 -41.02 60.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 60.350000000000001 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' A' ' 92' ' ' LEU . 26.7 tt0 -68.57 -37.2 79.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 65.019999999999996 110.857 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.876 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -61.13 -33.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 72.439999999999998 111.114 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.3 m -75.11 -41.65 58.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 60.119999999999997 111.164 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -43.76 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 54.030000000000001 110.842 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -64.17 -45.46 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.409999999999997 110.925 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.5 -24.38 53.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -27.92 13.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 70.409999999999997 110.933 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.36 -24.58 30.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.519999999999996 110.913 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.782 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.2 t-160 -89.03 -23.67 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 65.329999999999998 110.87 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.71 -3.57 74.67 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.686 -0.768 . . . . 63.200000000000003 112.463 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 104' ' ' HIS . 2.3 mp -94.75 132.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 55.25 111.169 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -97.65 -7.96 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.888 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.591 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -55.11 -24.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.119999999999997 110.899 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.75 -29.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 111.089 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.02 74.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.034 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -73.1 -33.11 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -73.75 -44.25 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.150000000000006 110.944 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 97' ' ' VAL . 8.5 p -67.69 -31.61 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 111.128 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -37.63 42.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.299999999999997 110.884 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.66 -20.97 41.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.519999999999996 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.76 -1.36 57.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 70.120000000000005 111.125 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 82.68 5.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.73 -18.12 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 50.210000000000001 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.31 -2.51 36.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.349999999999994 110.839 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.52 27.9 6.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.549999999999997 112.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -67.1 -21.38 65.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 73.099999999999994 110.818 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.01 3.3 74.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 71.420000000000002 112.455 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.69 161.34 42.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 63.229999999999997 110.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.584 HG22 ' OE2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER -124.1 125.18 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 74.409999999999997 111.106 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.0 t -87.34 -176.69 5.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.150000000000006 111.106 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -49.07 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.897 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.66 -53.02 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.853 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.584 ' OE2' HG22 ' A' ' 124' ' ' ILE . 44.5 tt0 -54.45 -46.36 73.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.02 -40.95 82.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 130' ' ' LEU . 9.4 tp -66.72 -24.97 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.040000000000006 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.2 -17.63 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.510000000000005 110.883 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 63.350000000000001 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -61.51 -44.0 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 63.409999999999997 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.68 -52.46 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 62.109999999999999 111.14 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.06 -53.18 60.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.349999999999994 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HE1' HD23 ' A' ' 92' ' ' LEU . 17.8 t80 -50.75 -55.08 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 110.874 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.230000000000004 110.858 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -55.11 -41.74 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 60.420000000000002 110.971 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.5 mmt -71.72 -11.7 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.430000000000007 110.887 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -103.21 73.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.230000000000004 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.24 -16.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 62.149999999999999 111.145 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -80.26 -3.41 49.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 64.219999999999999 110.847 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.8 45.43 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 33.119999999999997 112.531 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -92.05 -22.63 19.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.835 0.35 . . . . 71.239999999999995 110.832 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.39 -3.99 70.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 52.409999999999997 112.468 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 1.2 pttp -138.35 157.21 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 71.329999999999998 110.919 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.742 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -123.72 142.51 51.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 73.239999999999995 110.932 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 96' ' ' GLU . 6.1 t -92.68 156.22 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.126 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.5 OUTLIER -37.71 -54.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.911 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.34 -44.37 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' H ' HG23 ' A' ' 93' ' ' THR . 25.1 tt0 -64.21 -40.99 97.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.140000000000001 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.742 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.76 -32.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 111.103 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.2 m -72.82 -45.14 60.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 111.187 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -70.35 -38.65 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.430000000000007 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.27 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.310000000000002 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -25.14 54.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.843 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -28.37 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.450000000000003 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -55.86 -24.72 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 63.130000000000003 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.44 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -96.53 -15.82 21.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 60.049999999999997 110.827 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.1 -5.97 75.77 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 71.349999999999994 112.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 104' ' ' HIS . 6.3 mt -88.68 131.35 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 52.140000000000001 111.16 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.82 -8.72 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 61.039999999999999 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -24.77 28.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 63.219999999999999 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -31.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 73.120000000000005 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.49 -47.27 86.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 70.409999999999997 111.126 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.52 -29.56 63.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -44.93 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.873 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.18 -31.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.519999999999996 111.096 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.61 -34.18 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.530000000000001 110.88 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -84.66 -23.87 29.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 110.852 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.76 -18.14 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 50.520000000000003 111.117 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.08 82.27 6.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 71.319999999999993 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 64.140000000000001 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -92.91 -2.62 55.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.78 29.81 6.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 55.32 112.483 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -73.74 -19.76 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 54.130000000000003 110.816 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.6 75.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 73.239999999999995 112.567 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.67 157.25 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 62.149999999999999 110.913 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -131.54 127.88 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 63.200000000000003 111.152 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.9 t -89.9 -177.06 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 63.350000000000001 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -39.92 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.530000000000001 110.95 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 125' ' ' THR . 6.4 mm-40 -60.75 -56.51 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.82 -45.53 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.58 -38.63 72.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 65.25 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.41 -20.27 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 60.229999999999997 110.931 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -18.81 39.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 60.520000000000003 110.971 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.834 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.887 0.375 . . . . 64.230000000000004 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HD2' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -60.58 -51.86 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 71.549999999999997 110.959 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.24 -52.23 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 72.340000000000003 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -55.98 -51.44 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 72.340000000000003 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' HD2' HD23 ' A' ' 126' ' ' LEU . 8.1 t80 -50.55 -55.37 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.917 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -46.73 88.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -53.79 -43.27 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 53.340000000000003 110.933 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -70.91 -17.59 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.010000000000005 110.83 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.2 75.32 2.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 73.239999999999995 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.41 -12.5 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 73.140000000000001 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -79.68 -3.18 46.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 55.240000000000002 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.15 45.21 10.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 74.209999999999994 112.52 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.57 -22.35 19.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 73.010000000000005 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.58 -3.58 67.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 42.109999999999999 112.438 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.97 140.77 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 74.329999999999998 110.949 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.907 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.31 140.01 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 96' ' ' GLU . 5.8 t -94.92 155.91 16.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 70.450000000000003 111.203 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -57.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 72.230000000000004 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.82 -42.72 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.219999999999999 110.858 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.614 ' HG2' HD12 ' A' ' 92' ' ' LEU . 28.6 tt0 -67.24 -36.79 82.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 62.43 110.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.907 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.33 -33.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.310000000000002 111.132 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.7 m -74.78 -42.59 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 62.030000000000001 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 m -70.46 -43.19 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.450000000000003 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -63.44 -46.65 85.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 64.150000000000006 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.32 -24.08 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -28.09 14.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 73.129999999999995 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -55.37 -24.64 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.349999999999994 110.895 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -21.91 18.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 71.040000000000006 110.863 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.67 -9.1 66.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.491 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 42.4 mm -92.5 125.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.771 0.319 . . . . 73.219999999999999 111.14 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.69 -2.22 41.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 44.32 110.883 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -55.64 -24.82 35.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.04 -29.91 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 73.109999999999999 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.02 74.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 61.520000000000003 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -72.44 -31.44 65.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 62.5 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.37 -45.24 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 71.200000000000003 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.4 HG11 HG11 ' A' ' 97' ' ' VAL . 9.8 p -66.94 -31.65 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 70.519999999999996 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.0 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.903 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -78.87 -20.9 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.987 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.75 5.2 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.109999999999999 111.1 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.83 83.32 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.120000000000005 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.53 -16.84 60.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.049999999999997 111.124 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -100.96 -2.48 31.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 71.099999999999994 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.17 28.16 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 23.43 112.493 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -67.28 -21.46 65.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 75.120000000000005 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.71 0.88 82.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 61.210000000000001 112.456 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -147.45 161.27 41.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.355 . . . . 73.109999999999999 110.955 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.519 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -121.8 123.32 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 70.420000000000002 111.123 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.731 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.9 t -88.02 -176.11 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.400000000000006 111.178 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 ' HD2' ' A' ' 78' ' ' LYS . 5.7 mt -48.75 -48.63 40.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 54.009999999999998 110.907 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.81 -54.83 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.450000000000003 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.731 ' HG3' HG22 ' A' ' 125' ' ' THR . 17.9 mt-10 -56.24 -40.87 74.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.891 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.85 -40.18 87.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 64.010000000000005 110.845 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 130' ' ' LEU . 12.2 tp -70.56 -24.35 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.450000000000003 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.76 -17.51 38.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.150000000000006 110.845 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.882 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.891 0.376 . . . . 73.120000000000005 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -63.17 -42.17 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.807 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.21 -54.56 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 73.430000000000007 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.51 -52.82 63.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 71.209999999999994 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.7 t80 -51.8 -54.77 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 73.219999999999999 110.893 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -47.58 84.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 110.955 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -54.82 -41.3 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 51.399999999999999 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -14.75 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.329999999999998 110.847 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.75 76.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 71.310000000000002 110.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.46 -12.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.075 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -80.03 -3.28 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.847 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.28 45.46 15.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 55.229999999999997 112.534 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -93.97 -23.67 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 73.409999999999997 110.873 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.69 65.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 72.530000000000001 112.536 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 13.7 ptmt -139.19 154.59 48.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 62.509999999999998 110.89 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.831 HD11 HG23 ' A' ' 97' ' ' VAL . 3.2 pp -123.4 143.52 50.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.420000000000002 110.932 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.23 157.41 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.340000000000003 111.16 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HZ3' HG22 ' A' ' 113' ' ' VAL . 8.7 mmtt -37.05 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -52.7 -44.73 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 51.130000000000003 110.933 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.15 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 61.240000000000002 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.36 -32.53 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 54.310000000000002 111.137 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.1 m -73.15 -45.25 57.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 73.099999999999994 111.198 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.7 m -70.19 -37.69 75.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 65.200000000000003 110.899 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.92 -48.1 72.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.219999999999999 110.872 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -24.86 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -28.26 16.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 75.319999999999993 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -55.77 -24.58 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 74.109999999999999 110.893 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.98 -16.43 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 70.409999999999997 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.91 -6.72 73.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 65.349999999999994 112.444 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.51 131.63 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 65.099999999999994 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.22 -6.51 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 65.549999999999997 110.911 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.9 mmpm? -55.44 -24.36 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.989 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.83 -30.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.340000000000003 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -66.59 -41.87 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 111.049 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.42 -41.57 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 75.099999999999994 110.894 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -64.59 -44.37 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.229999999999997 110.936 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HZ3' ' A' ' 94' ' ' LYS . 9.6 p -68.32 -30.38 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -42.69 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 110.9 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.07 -20.63 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.957 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.33 -19.32 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 33.329999999999998 111.071 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.81 81.98 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.329999999999998 110.896 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.2 -21.26 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 50.340000000000003 111.073 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -83.65 -2.82 56.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.140000000000001 110.84 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.94 30.06 4.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 70.019999999999996 112.513 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -75.39 -18.8 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.409999999999997 110.844 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.51 2.31 74.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 73.099999999999994 112.437 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -137.56 155.72 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.140000000000001 110.935 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.415 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -132.74 129.48 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.109999999999999 111.069 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 7.6 t -100.16 -177.42 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.119999999999997 111.163 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.19 -32.31 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 110.913 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 125' ' ' THR . 12.6 mm-40 -58.14 -55.26 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.109999999999999 110.837 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -45.8 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -55.14 -39.74 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 75.510000000000005 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 130' ' ' LEU . 12.7 tp -73.92 -20.26 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 72.439999999999998 110.92 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -18.37 39.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.913 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.497 -0.241 . . . . 64.349999999999994 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -69.27 127.2 32.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 61.329999999999998 110.91 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.35 123.72 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.430000000000007 110.9 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -61.29 -170.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.904 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.624 ' HB2' HD12 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -106.92 141.26 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.030000000000001 110.865 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -35.52 149.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 70.120000000000005 110.876 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.43 -23.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 72.150000000000006 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HD3' HD22 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -83.42 12.33 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.319999999999993 110.891 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.5 tt -50.51 -39.9 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 60.310000000000002 111.123 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.3 -50.26 66.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 73.319999999999993 112.464 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -58.88 -44.46 91.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 74.299999999999997 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -62.25 -42.22 99.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 65.340000000000003 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.4 t -61.01 -54.92 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 73.439999999999998 111.182 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.99 -51.59 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.947 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.579 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.5 t80 -51.9 -55.27 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 51.340000000000003 110.868 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -42.78 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 63.109999999999999 110.877 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -38.59 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.936 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mmt -72.48 -12.03 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.549999999999997 110.879 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.54 74.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 54.450000000000003 110.866 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -60.48 -16.85 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 111.144 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.29 -2.85 50.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.420000000000002 110.878 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.07 45.27 20.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 70.230000000000004 112.466 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -94.57 -18.34 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 63.200000000000003 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.84 -3.41 75.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 73.299999999999997 112.502 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.1 OUTLIER -138.23 134.14 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 53.439999999999998 110.884 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 97' ' ' VAL . 2.7 pp -97.36 142.34 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.923 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 9.0 t -92.34 157.18 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 55.109999999999999 111.142 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.34 -53.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 64.400000000000006 110.915 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.1 -44.78 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 93' ' ' THR . 18.3 tt0 -61.99 -46.74 87.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.439999999999998 110.883 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.83 -32.68 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.09 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.0 m -73.44 -37.53 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 74.430000000000007 111.162 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -39.56 75.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 54.340000000000003 110.849 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -67.85 -45.47 74.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.209999999999994 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -25.56 56.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.540000000000006 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -28.65 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 64.150000000000006 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -55.86 -28.46 56.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.340000000000003 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.625 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -92.93 -15.6 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 72.319999999999993 110.831 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.23 3.9 89.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 41.409999999999997 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' HB3' ' A' ' 104' ' ' HIS . 9.4 mt -83.9 129.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 42.240000000000002 111.13 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.26 -17.35 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 71.150000000000006 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -54.79 -25.62 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 60.539999999999999 110.957 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.57 -29.46 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 61.43 111.104 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 111.09 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.53 -32.48 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.319999999999993 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.23 -44.86 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 71.329999999999998 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -31.38 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 71.519999999999996 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -35.34 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.150000000000006 110.936 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -84.3 -21.76 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.340000000000003 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.06 -16.62 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 70.510000000000005 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.72 82.47 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.149999999999999 110.893 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.38 -17.16 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.219999999999999 111.097 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.13 -2.28 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.519999999999996 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.36 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 33.299999999999997 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -70.34 -20.69 62.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 62.340000000000003 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.28 -1.37 88.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 41.420000000000002 112.47 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -147.16 156.75 43.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 75.409999999999997 110.967 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -122.73 131.82 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 111.137 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 128' ' ' GLU . 11.0 t -89.26 -177.07 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 111.109 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mp -51.03 -42.61 60.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.902 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.56 -55.17 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.439999999999998 110.92 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 125' ' ' THR . 14.2 mt-10 -56.03 -46.93 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 61.109999999999999 110.899 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -54.93 -39.74 69.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.120000000000005 110.875 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD22 ' HD3' ' A' ' 74' ' ' LYS . 15.2 tp -74.03 -19.2 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.81 -18.9 38.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.239999999999995 110.896 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.38 69.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.340000000000003 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.0 m -158.15 91.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 41.119999999999997 110.825 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.530000000000001 110.967 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.437 -0.265 . . . . 74.239999999999995 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.43 125.61 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 73.019999999999996 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.5 137.47 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 60.130000000000003 110.836 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.88 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 73.239999999999995 110.927 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.611 ' HB2' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -108.18 141.17 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 51.25 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 75' ' ' ILE . 1.1 m-20 -35.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 72.310000000000002 110.905 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -44.68 -23.01 0.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 60.140000000000001 110.82 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HD3' HD13 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -83.38 12.04 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 64.010000000000005 110.92 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 71' ' ' SER . 6.8 tt -50.73 -40.07 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.530000000000001 111.207 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.73 -44.4 97.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.766 . . . . 41.350000000000001 112.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.534 HD13 ' OG ' ' A' ' 133' ' ' SER . 6.5 mt -64.25 -48.97 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 73.129999999999995 110.875 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.705 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -59.54 -47.33 85.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 110.896 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.8 t -58.47 -55.11 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 52.43 111.108 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.58 -39.55 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.099999999999994 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.622 ' CE2' HD22 ' A' ' 92' ' ' LEU . 31.3 t80 -56.57 -54.04 50.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 65.200000000000003 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.63 -44.0 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.230000000000004 110.823 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 83' ' ' LEU . 2.3 tt -57.04 -42.01 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 70.120000000000005 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 10.0 mmt -71.46 -11.2 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 64.439999999999998 110.822 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.04 66.66 7.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 74.430000000000007 110.822 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.57 -18.57 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 70.510000000000005 111.169 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -80.95 -2.88 49.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 110.887 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.28 45.76 35.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 73.420000000000002 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -98.44 -23.87 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 74.439999999999998 110.801 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.68 2.17 63.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.420000000000002 112.467 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -145.16 138.73 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 70.140000000000001 110.859 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CE2' ' A' ' 81' ' ' PHE . 2.3 mp -96.54 144.87 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.94 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 123' ' ' TYR . 5.8 m -93.98 155.07 17.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 111.133 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 2.8 tttt -35.57 -45.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 64.299999999999997 110.888 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -69.15 -45.04 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' THR . 52.3 tt0 -62.76 -53.18 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 73.150000000000006 110.894 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.4 p -55.82 -38.28 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 71.209999999999994 111.162 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.4 m -67.29 -44.32 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.4 m -70.23 -36.99 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.430000000000007 110.867 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 92' ' ' LEU . 3.3 m-85 -62.43 -49.69 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 61.219999999999999 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CB ' HG11 ' A' ' 109' ' ' VAL . 2.7 m-85 -76.11 -27.18 57.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.439999999999998 110.87 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -28.83 42.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.889 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -56.99 -30.26 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 51.100000000000001 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -10.95 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 110.888 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.22 -3.62 84.24 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 74.25 112.529 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 106' ' ' ILE . 1.8 tt -88.23 122.48 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 62.219999999999999 111.163 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.47 -14.67 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.319999999999993 110.901 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -25.97 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 63.109999999999999 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 101' ' ' PHE . 7.2 p -51.67 -29.46 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 71.219999999999999 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.14 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.082 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.64 -33.34 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.310000000000002 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.87 -44.02 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.010000000000005 110.906 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.524 HG23 HG21 ' A' ' 124' ' ' ILE . 8.1 p -69.38 -31.05 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 42.149999999999999 111.142 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -35.59 46.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.310000000000002 110.903 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.41 -21.96 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.329999999999998 110.89 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.67 -19.08 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.439999999999998 111.067 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 82.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.65 -16.92 60.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 70.200000000000003 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.53 -2.81 34.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 70.109999999999999 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.26 29.65 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 72.329999999999998 112.536 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -70.76 -20.83 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 52.119999999999997 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 85.83 -2.08 87.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 54.329999999999998 112.528 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 93' ' ' THR . 7.6 m-85 -136.44 161.37 36.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 74.040000000000006 110.957 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.524 HG21 HG23 ' A' ' 113' ' ' VAL . 2.5 pt -127.87 121.46 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 61.409999999999997 111.158 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 127' ' ' GLU . 13.2 t -90.8 -177.26 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 75.349999999999994 111.147 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt -52.31 -31.13 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 60.310000000000002 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 125' ' ' THR . 55.8 mm-40 -58.65 -54.3 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.879 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.495 ' OE1' HG22 ' A' ' 124' ' ' ILE . 0.7 OUTLIER -56.45 -45.63 80.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.340000000000003 110.915 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -39.41 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.48 HD13 ' HD3' ' A' ' 74' ' ' LYS . 13.3 tp -74.55 -20.16 60.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.956 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.57 -18.75 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 44.100000000000001 110.859 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.33 70.36 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 71.340000000000003 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.534 ' OG ' HD13 ' A' ' 77' ' ' LEU . 73.3 m -158.74 91.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 110.887 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 62.030000000000001 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.23 126.1 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 64.310000000000002 110.897 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.31 139.82 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.439999999999998 110.909 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 64.439999999999998 110.878 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.568 ' HB3' HD12 ' A' ' 75' ' ' ILE . 27.9 t -99.55 140.99 32.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.030000000000001 110.849 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -35.54 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 65.329999999999998 110.883 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.82 -22.75 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 73.140000000000001 110.844 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.571 ' CB ' HD13 ' A' ' 130' ' ' LEU . 1.1 pptp? -83.37 11.65 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 74.120000000000005 110.851 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 79' ' ' VAL . 5.8 tt -50.27 -41.26 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 71.439999999999998 111.113 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.39 -44.57 97.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.698 -0.763 . . . . 63.140000000000001 112.481 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.24 -47.49 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 74.120000000000005 110.984 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.718 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -62.17 -43.74 98.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 64.25 110.926 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 75' ' ' ILE . 51.6 t -59.51 -54.66 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 71.239999999999995 111.079 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -51.9 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.040000000000006 110.904 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 92' ' ' LEU . 7.9 t80 -50.88 -55.5 16.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 110.916 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.32 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.120000000000005 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -55.4 -42.04 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 45.409999999999997 110.912 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -11.6 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.120000000000005 110.857 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.78 75.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 72.099999999999994 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.34 -13.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.120000000000005 111.116 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -79.96 -3.15 47.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 54.340000000000003 110.894 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.02 45.53 14.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 52.509999999999998 112.517 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -92.23 -22.46 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 72.200000000000003 110.896 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.41 -3.61 72.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 64.310000000000002 112.473 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.33 157.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 73.230000000000004 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 97' ' ' VAL . 3.1 pp -123.86 143.47 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 63.43 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 96' ' ' GLU . 8.8 t -91.91 156.81 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 72.349999999999994 111.097 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.6 tttt -37.65 -55.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.109999999999999 110.907 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.75 -44.35 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 62.109999999999999 110.887 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 93' ' ' THR . 14.4 tt0 -61.01 -47.43 86.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.049999999999997 110.865 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.602 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.74 -33.58 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 111.156 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 84.9 m -74.75 -31.03 61.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 71.109999999999999 111.111 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t -69.96 -47.39 62.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 54.240000000000002 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.409999999999997 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' A' ' 109' ' ' VAL . 11.1 m-85 -75.91 -25.83 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.874 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -28.91 24.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.965 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -56.22 -25.21 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 43.450000000000003 110.926 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.67 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -96.61 -21.18 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.420000000000002 110.872 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.96 -5.24 78.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 53.520000000000003 112.577 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 104' ' ' HIS . 5.9 mt -79.15 127.97 38.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 75.549999999999997 111.083 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -101.11 -12.95 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 65.409999999999997 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -55.08 -26.39 37.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 73.310000000000002 110.918 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 101' ' ' PHE . 10.2 p -52.2 -30.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 63.329999999999998 111.144 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.23 83.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.109999999999999 111.169 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.49 -31.87 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 72.329999999999998 110.856 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -71.87 -44.92 62.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.42 -31.25 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -35.53 48.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 63.539999999999999 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -83.2 -22.09 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.329999999999998 110.925 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.4 -18.85 32.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.020000000000003 111.07 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.36 82.48 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.120000000000005 110.847 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.94 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.439999999999998 111.049 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -86.87 -2.35 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.229999999999997 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.18 29.27 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 61.32 112.458 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -71.4 -20.71 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 71.200000000000003 110.904 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.42 1.62 76.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 60.439999999999998 112.572 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.21 158.97 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 73.239999999999995 110.943 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.438 HD11 ' HD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -130.74 127.16 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 111.123 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.8 t -90.42 -177.49 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.439999999999998 111.143 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.718 HD22 ' HD3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -52.03 -36.56 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 110.895 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 125' ' ' THR . 22.6 mm-40 -59.91 -56.44 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.867 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.87 -44.63 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.519999999999996 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.438 ' HD1' HD11 ' A' ' 124' ' ' ILE . 6.2 t80 -56.65 -39.28 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.329999999999998 110.944 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.571 HD13 ' CB ' ' A' ' 74' ' ' LYS . 14.8 tp -74.22 -19.97 60.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 74.450000000000003 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.58 -18.87 39.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.109999999999999 110.845 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.58 69.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.319999999999993 110.864 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.21 92.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 73.230000000000004 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 73.329999999999998 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.458 -0.257 . . . . 23.420000000000002 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.28 126.75 30.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 64.150000000000006 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.31 142.32 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 74.549999999999997 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.44 179.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 74.310000000000002 110.912 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.636 ' HB2' HD12 ' A' ' 75' ' ' ILE . 1.1 m -106.17 141.33 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 55.530000000000001 110.801 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -35.55 149.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 73.329999999999998 110.801 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -44.69 -23.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.099999999999994 110.857 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.696 ' HD3' HD13 ' A' ' 130' ' ' LEU . 0.3 OUTLIER -83.48 12.2 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 65.200000000000003 110.904 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 71' ' ' SER . 6.6 tt -50.37 -41.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 71.129999999999995 111.107 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.76 -47.82 89.32 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 71.099999999999994 112.537 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD21 ' OG ' ' A' ' 133' ' ' SER . 2.1 tp -61.08 -52.97 62.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.863 0.363 . . . . 74.219999999999999 110.916 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -43.93 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 60.530000000000001 110.952 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 75' ' ' ILE . 49.6 t -60.36 -53.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.239999999999995 111.134 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.27 -47.97 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 60.340000000000003 110.963 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HE2' HD23 ' A' ' 92' ' ' LEU . 22.4 t80 -58.6 -55.39 35.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 73.349999999999994 110.863 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.9 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 73.349999999999994 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -24.22 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 70.030000000000001 110.943 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -36.03 72.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 75.340000000000003 110.884 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.53 78.5 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -57.35 -17.83 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 111.155 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -79.87 -2.22 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 64.319999999999993 110.855 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.25 45.87 34.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 73.239999999999995 112.481 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -97.62 -19.65 18.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 62.240000000000002 110.851 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.6 66.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 73.209999999999994 112.517 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -134.96 135.41 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 63.219999999999999 110.919 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 HG23 ' A' ' 97' ' ' VAL . 1.6 pp -96.62 140.61 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.853 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.5 t -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.239999999999995 111.142 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.12 -54.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 71.530000000000001 110.928 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -52.78 -45.0 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 72.239999999999995 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.04 -46.62 88.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.010000000000005 110.82 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.01 -32.71 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.420000000000002 111.123 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -73.47 -36.33 65.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 111.184 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -40.44 75.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -69.62 -44.13 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -24.67 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 74.420000000000002 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -28.55 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 71.420000000000002 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -24.55 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.894 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.28 -21.08 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 70.549999999999997 110.812 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.07 -5.44 75.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 32.240000000000002 112.521 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.83 130.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.831 0.348 . . . . 74.109999999999999 111.13 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -102.85 -10.91 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.45 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.030000000000001 110.901 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.43 -29.43 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.240000000000002 111.167 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.72 80.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 53.32 111.071 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -72.3 -32.33 66.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -45.11 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 74.140000000000001 110.899 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.72 -31.29 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 mmt -77.1 -36.16 55.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.120000000000005 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.63 -21.28 32.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 63.450000000000003 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.74 -19.19 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 73.25 111.132 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -94.18 83.53 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.923 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -19.11 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.25 111.087 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -83.31 -2.59 56.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 62.140000000000001 110.917 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.53 28.31 6.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 73.200000000000003 112.522 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.65 -23.41 64.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 64.409999999999997 110.861 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.73 -1.89 70.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 54.119999999999997 112.503 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.25 154.92 47.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 75.219999999999999 110.867 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -124.7 128.16 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.121 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -85.94 -177.41 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.319999999999993 111.071 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.533 HD12 ' H ' ' A' ' 126' ' ' LEU . 4.8 mp -49.42 -47.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.439999999999998 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.81 -54.52 43.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.129999999999995 110.853 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 125' ' ' THR . 16.0 mt-10 -57.86 -38.26 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.409999999999997 110.856 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.402 ' HA ' HD11 ' A' ' 124' ' ' ILE . 91.0 t80 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 55.009999999999998 110.909 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.696 HD13 ' HD3' ' A' ' 74' ' ' LYS . 12.7 tp -72.46 -23.82 61.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 71.109999999999999 110.907 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -84.32 -18.0 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.109999999999999 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.18 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.83 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' HD21 ' A' ' 77' ' ' LEU . 64.5 m -159.03 91.69 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.120000000000005 110.871 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.48 -0.248 . . . . 74.239999999999995 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.24 126.07 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 74.209999999999994 110.897 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 125.22 24.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.099999999999994 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -176.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 55.329999999999998 110.867 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.554 ' HB3' HD12 ' A' ' 75' ' ' ILE . 31.1 t -105.65 141.36 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 74.209999999999994 110.863 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -35.37 149.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.530000000000001 110.81 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.72 -22.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 72.219999999999999 110.837 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -83.34 12.09 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 63.520000000000003 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.1 tt -50.36 -41.36 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.299999999999997 111.16 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -44.51 97.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 63.420000000000002 112.555 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 130' ' ' LEU . 13.1 tp -62.36 -48.29 80.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 54.420000000000002 110.943 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -62.12 -45.37 93.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.020000000000003 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' ILE . 46.6 t -57.94 -53.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.430000000000007 111.106 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -50.25 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.319999999999993 110.871 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.536 ' CD1' HD23 ' A' ' 126' ' ' LEU . 22.8 t80 -50.45 -54.76 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.519999999999996 110.914 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -45.98 88.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.864 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.07 -41.69 71.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 73.120000000000005 110.853 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.2 mmm -71.62 -14.51 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.915 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.08 74.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.319999999999993 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.5 -15.4 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 70.030000000000001 111.197 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -80.47 -3.28 49.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 71.25 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.95 45.6 14.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 43.530000000000001 112.498 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -92.92 -20.7 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.129999999999995 110.899 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.99 0.27 68.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 72.25 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.98 161.34 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 63.439999999999998 110.879 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 96' ' ' GLU . 68.8 mt -123.18 148.42 45.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.319999999999993 110.879 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -93.97 152.84 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.145 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -36.69 -61.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 65.140000000000001 110.862 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -53.99 -44.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.835 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' HD22 ' A' ' 92' ' ' LEU . 37.2 tt0 -60.24 -49.15 78.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 62.399999999999999 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 113' ' ' VAL . 49.1 t -50.68 -45.51 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.099999999999994 111.163 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -69.29 -30.39 68.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 65.239999999999995 111.114 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -70.56 -50.09 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 55.310000000000002 110.841 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.35 -39.42 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.530000000000001 110.9 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.822 ' HB3' HG11 ' A' ' 109' ' ' VAL . 1.8 t80 -76.37 -26.4 55.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 60.119999999999997 110.828 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -28.7 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.030000000000001 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -56.04 -24.86 42.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.239999999999995 110.884 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.4 t-160 -87.72 -22.38 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 75.239999999999995 110.858 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -13.64 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 51.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 104' ' ' HIS . 3.5 mt -80.88 130.59 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 74.310000000000002 111.086 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.24 -15.94 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 44.32 110.835 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -54.94 -26.31 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.340000000000003 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.822 HG11 ' HB3' ' A' ' 101' ' ' PHE . 7.2 p -52.26 -29.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.010000000000005 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 63.32 111.121 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.87 -31.61 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.040000000000006 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -73.36 -44.21 59.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 97' ' ' VAL . 7.5 p -68.74 -31.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 73.150000000000006 111.127 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -35.96 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 74.340000000000003 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -81.86 -22.1 37.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 42.25 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.73 -18.36 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 60.409999999999997 111.094 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.31 81.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 73.200000000000003 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.61 -28.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 65.430000000000007 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -84.06 -2.46 56.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.319999999999993 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.6 29.42 7.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 62.299999999999997 112.484 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -71.48 -21.09 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 62.43 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.49 0.37 84.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 72.450000000000003 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -147.5 161.05 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 75.209999999999994 110.959 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.655 HG21 HG23 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -119.56 125.21 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.239999999999995 111.153 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.611 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -83.6 -177.77 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.129999999999995 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -52.52 -48.18 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.906 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.03 -52.55 58.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 42.009999999999998 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HG3' HG22 ' A' ' 125' ' ' THR . 8.0 mt-10 -55.83 -47.6 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 110.869 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.35 -39.9 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.519999999999996 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 77' ' ' LEU . 13.9 tp -73.39 -20.31 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 73.140000000000001 110.928 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.93 -18.35 40.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 71.239999999999995 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.53 69.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 63.240000000000002 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.28 91.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 74.420000000000002 110.921 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 51.310000000000002 110.941 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.489 -0.244 . . . . 71.049999999999997 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.27 125.68 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 74.319999999999993 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.43 129.18 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 65.430000000000007 110.797 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.02 178.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 110.871 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.638 ' HB2' HD12 ' A' ' 75' ' ' ILE . 1.1 m -105.07 141.3 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 55.240000000000002 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -35.38 149.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 65.230000000000004 110.856 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -44.72 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.519999999999996 110.905 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.711 ' HE3' HD22 ' A' ' 130' ' ' LEU . 2.8 pttt -83.41 11.92 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 73.420000000000002 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' HB2' ' A' ' 71' ' ' SER . 6.3 tt -50.72 -41.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 74.200000000000003 111.122 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.15 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 62.539999999999999 112.504 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD21 ' OG ' ' A' ' 133' ' ' SER . 2.2 tp -63.54 -52.67 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.209999999999994 110.897 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -57.43 -47.23 82.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 62.210000000000001 110.912 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 75' ' ' ILE . 37.1 t -57.23 -51.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 70.510000000000005 111.164 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -53.58 52.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.915 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -50.64 -54.92 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 65.409999999999997 110.923 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -42.79 96.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 75.140000000000001 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.62 -39.69 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.450000000000003 110.937 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -14.63 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.905 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.2 75.42 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.85 -14.24 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 65.200000000000003 111.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -79.23 -3.26 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.219999999999999 110.942 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.21 45.56 10.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 64.319999999999993 112.474 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -94.39 -21.29 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 42.030000000000001 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.6 68.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 73.239999999999995 112.49 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -138.65 143.35 39.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 72.310000000000002 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.8 140.26 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.923 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 96' ' ' GLU . 14.0 t -94.22 155.65 16.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.178 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -57.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 53.130000000000003 110.863 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.18 -41.38 60.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.210000000000001 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 92' ' ' LEU . 27.8 tt0 -68.06 -37.46 81.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.400000000000006 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.911 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.21 -33.7 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.329999999999998 111.14 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.5 m -75.69 -38.72 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 54.119999999999997 111.172 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -45.96 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.530000000000001 110.821 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -64.77 -43.98 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -76.89 -23.58 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -27.64 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 64.019999999999996 110.862 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -54.79 -24.64 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 75.230000000000004 110.856 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.61 -25.57 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.349999999999994 110.844 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -9.9 65.1 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 63.210000000000001 112.473 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG22 ' H ' ' A' ' 108' ' ' LYS . 43.4 mm -95.27 122.03 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 75.030000000000001 111.126 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -0.99 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.349999999999994 110.876 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.568 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -56.01 -24.64 40.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 62.530000000000001 110.889 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.85 -29.61 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.5 111.155 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.71 82.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.399999999999999 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -72.9 -32.04 65.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 71.530000000000001 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -44.68 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.299999999999997 110.939 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.38 -31.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 62.149999999999999 111.128 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.91 -37.94 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.019999999999996 110.835 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.06 -21.21 43.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 61.119999999999997 110.927 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.21 -19.06 24.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.450000000000003 111.149 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.19 82.93 6.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.129999999999995 110.805 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -18.88 60.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.040000000000006 111.027 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -83.59 -2.09 55.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 74.109999999999999 110.915 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.63 28.71 11.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 74.310000000000002 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.15 -22.5 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.340000000000003 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.5 3.64 72.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 31.25 112.509 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -149.8 161.5 42.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 71.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.51 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -124.12 123.47 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 73.420000000000002 111.117 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.4 t -88.16 -176.54 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.504 ' H ' HD12 ' A' ' 126' ' ' LEU . 4.8 mp -48.64 -48.66 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.120000000000005 110.923 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.49 -54.55 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 64.040000000000006 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.704 ' HG3' HG22 ' A' ' 125' ' ' THR . 18.3 mt-10 -56.12 -41.75 75.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.150000000000006 110.869 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.99 -41.04 86.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 73.019999999999996 110.863 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.711 HD22 ' HE3' ' A' ' 74' ' ' LYS . 14.2 tp -69.58 -24.39 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.310000000000002 110.885 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.56 -17.55 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -111.96 70.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.310000000000002 110.863 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.469 ' OG ' HD21 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -158.87 91.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.430000000000007 110.859 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.340000000000003 110.885 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.258 . . . . 53.5 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.26 125.05 29.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 61.520000000000003 110.887 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.54 142.64 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.843 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.61 169.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.642 ' CB ' HD13 ' A' ' 75' ' ' ILE . 37.4 m -99.98 140.61 33.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.340000000000003 110.878 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -35.0 148.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.807 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.53 -22.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 71.299999999999997 110.837 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HD3' HD13 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -83.6 10.71 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 72.420000000000002 110.874 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.642 HD13 ' CB ' ' A' ' 71' ' ' SER . 4.3 tp -51.38 -39.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 64.019999999999996 111.179 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.59 72.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.78 -0.724 . . . . 74.040000000000006 112.54 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.592 HD21 ' OG ' ' A' ' 133' ' ' SER . 2.8 tp -58.54 -51.71 68.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 74.329999999999998 110.882 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -45.95 80.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.129999999999995 110.849 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 75' ' ' ILE . 39.1 t -58.13 -51.61 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 111.154 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.39 -53.45 53.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 63.140000000000001 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.19 -55.38 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.400000000000006 110.827 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -43.64 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.64 -40.28 71.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.450000000000003 110.929 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -12.57 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 72.109999999999999 110.873 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.18 76.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 54.520000000000003 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.51 -13.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 71.209999999999994 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -79.53 -3.29 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 74.519999999999996 110.919 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.81 45.69 9.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 70.109999999999999 112.431 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.48 -20.73 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 75.340000000000003 110.825 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.53 -4.26 69.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 73.400000000000006 112.471 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.3 OUTLIER -138.26 155.82 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 62.420000000000002 110.853 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.876 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.43 140.14 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.409999999999997 110.919 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 96' ' ' GLU . 4.3 t -93.93 156.05 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.099999999999994 111.09 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -40.46 -57.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.877 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -51.45 -41.02 60.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 60.350000000000001 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' A' ' 92' ' ' LEU . 26.7 tt0 -68.57 -37.2 79.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 65.019999999999996 110.857 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.876 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -61.13 -33.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 72.439999999999998 111.114 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.3 m -75.11 -41.65 58.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 60.119999999999997 111.164 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -43.76 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 54.030000000000001 110.842 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -64.17 -45.46 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.409999999999997 110.925 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.5 -24.38 53.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 73.400000000000006 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -27.92 13.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 70.409999999999997 110.933 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.36 -24.58 30.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.519999999999996 110.913 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.782 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.2 t-160 -89.03 -23.67 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 65.329999999999998 110.87 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.71 -3.57 74.67 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.686 -0.768 . . . . 63.200000000000003 112.463 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 104' ' ' HIS . 2.3 mp -94.75 132.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 55.25 111.169 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -97.65 -7.96 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.319999999999993 110.888 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.591 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -55.11 -24.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.119999999999997 110.899 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.75 -29.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 71.239999999999995 111.089 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.02 74.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 111.034 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -73.1 -33.11 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -73.75 -44.25 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.150000000000006 110.944 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 97' ' ' VAL . 8.5 p -67.69 -31.61 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 111.128 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -37.63 42.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.299999999999997 110.884 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.66 -20.97 41.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.519999999999996 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.76 -1.36 57.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 70.120000000000005 111.125 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 82.68 5.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.73 -18.12 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 50.210000000000001 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.31 -2.51 36.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.349999999999994 110.839 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.52 27.9 6.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.549999999999997 112.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -67.1 -21.38 65.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 73.099999999999994 110.818 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.01 3.3 74.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 71.420000000000002 112.455 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.69 161.34 42.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 63.229999999999997 110.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.584 HG22 ' OE2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER -124.1 125.18 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 74.409999999999997 111.106 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.0 t -87.34 -176.69 5.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.150000000000006 111.106 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -49.07 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.897 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.66 -53.02 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.853 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.584 ' OE2' HG22 ' A' ' 124' ' ' ILE . 44.5 tt0 -54.45 -46.36 73.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.239999999999995 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.02 -40.95 82.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.577 HD13 ' HD3' ' A' ' 74' ' ' LYS . 9.4 tp -66.72 -24.97 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.040000000000006 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.2 -17.63 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.510000000000005 110.883 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.85 69.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 63.350000000000001 110.896 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.592 ' OG ' HD21 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -158.22 91.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.340000000000003 110.896 -179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 75.099999999999994 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.444 -0.262 . . . . 63.119999999999997 112.444 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -69.23 125.11 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 74.140000000000001 110.969 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.44 142.57 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 73.409999999999997 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 75.219999999999999 110.889 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.608 ' CB ' HD13 ' A' ' 75' ' ' ILE . 22.5 m -107.05 140.83 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 71.140000000000001 110.869 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -34.76 147.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 65.200000000000003 110.821 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.5 -23.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.109999999999999 110.87 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HE3' HD22 ' A' ' 130' ' ' LEU . 1.3 pttt -83.79 11.51 7.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 110.834 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.608 HD13 ' CB ' ' A' ' 71' ' ' SER . 4.1 tp -52.25 -41.26 33.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -50.38 66.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 64.140000000000001 112.431 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.04 -48.31 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.912 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -61.51 -44.0 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 63.409999999999997 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 75' ' ' ILE . 39.9 t -59.68 -52.46 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 62.109999999999999 111.14 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.06 -53.18 60.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.349999999999994 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HE1' HD23 ' A' ' 92' ' ' LEU . 17.8 t80 -50.75 -55.08 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 110.874 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.230000000000004 110.858 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -55.11 -41.74 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 60.420000000000002 110.971 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.5 mmt -71.72 -11.7 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.430000000000007 110.887 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -103.21 73.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.230000000000004 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.24 -16.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 62.149999999999999 111.145 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -80.26 -3.41 49.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 64.219999999999999 110.847 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.8 45.43 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 33.119999999999997 112.531 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -92.05 -22.63 19.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.835 0.35 . . . . 71.239999999999995 110.832 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.39 -3.99 70.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 52.409999999999997 112.468 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 1.2 pttp -138.35 157.21 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 71.329999999999998 110.919 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.742 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -123.72 142.51 51.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 73.239999999999995 110.932 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 96' ' ' GLU . 6.1 t -92.68 156.22 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.140000000000001 111.126 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.5 OUTLIER -37.71 -54.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.911 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.34 -44.37 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' H ' HG23 ' A' ' 93' ' ' THR . 25.1 tt0 -64.21 -40.99 97.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.140000000000001 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.742 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.76 -32.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 111.103 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.2 m -72.82 -45.14 60.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 111.187 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -70.35 -38.65 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.430000000000007 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.27 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.310000000000002 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -25.14 54.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.843 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -28.37 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.450000000000003 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -55.86 -24.72 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 63.130000000000003 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.44 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -96.53 -15.82 21.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 60.049999999999997 110.827 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.1 -5.97 75.77 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 71.349999999999994 112.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 104' ' ' HIS . 6.3 mt -88.68 131.35 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 52.140000000000001 111.16 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.82 -8.72 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 61.039999999999999 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -24.77 28.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 63.219999999999999 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -31.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 73.120000000000005 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.49 -47.27 86.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 70.409999999999997 111.126 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.52 -29.56 63.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -44.93 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 110.873 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.18 -31.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.519999999999996 111.096 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.61 -34.18 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.530000000000001 110.88 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -84.66 -23.87 29.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 62.439999999999998 110.852 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.76 -18.14 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 50.520000000000003 111.117 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.08 82.27 6.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 71.319999999999993 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 64.140000000000001 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -92.91 -2.62 55.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.78 29.81 6.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 55.32 112.483 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -73.74 -19.76 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 54.130000000000003 110.816 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.6 75.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 73.239999999999995 112.567 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.67 157.25 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 62.149999999999999 110.913 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -131.54 127.88 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 63.200000000000003 111.152 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.9 t -89.9 -177.06 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 63.350000000000001 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -39.92 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.530000000000001 110.95 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 125' ' ' THR . 6.4 mm-40 -60.75 -56.51 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.239999999999995 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.82 -45.53 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.58 -38.63 72.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 65.25 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.435 HD22 ' HE3' ' A' ' 74' ' ' LYS . 14.6 tp -74.41 -20.27 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 60.229999999999997 110.931 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -18.81 39.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 60.520000000000003 110.971 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -109.5 70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.834 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.0 m -158.24 91.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 74.140000000000001 110.938 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 74.310000000000002 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.54 -0.224 . . . . 51.420000000000002 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.22 161.17 29.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 73.519999999999996 110.985 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.5 121.69 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 72.319999999999993 110.852 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.02 103.61 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 111.002 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' ASP . 1.8 m -110.19 141.02 43.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 64.219999999999999 110.837 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ILE . 1.3 m-20 -35.23 148.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 71.549999999999997 110.953 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -45.05 -23.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 74.010000000000005 110.811 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.629 ' CB ' HD13 ' A' ' 130' ' ' LEU . 0.3 OUTLIER -83.42 11.58 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.129999999999995 110.916 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.96 -34.25 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.519999999999996 111.083 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.26 -49.82 43.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 22.440000000000001 112.457 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 133' ' ' SER . 15.3 mt -60.92 -47.01 88.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 64.230000000000004 110.93 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HD2' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -60.58 -51.86 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 71.549999999999997 110.959 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 75' ' ' ILE . 38.8 t -57.24 -52.23 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 72.340000000000003 111.131 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -55.98 -51.44 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 72.340000000000003 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' HD2' HD23 ' A' ' 126' ' ' LEU . 8.1 t80 -50.55 -55.37 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 75.109999999999999 110.917 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -46.73 88.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -53.79 -43.27 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 53.340000000000003 110.933 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -70.91 -17.59 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.010000000000005 110.83 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.2 75.32 2.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 73.239999999999995 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.41 -12.5 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 73.140000000000001 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -79.68 -3.18 46.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 55.240000000000002 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.15 45.21 10.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 74.209999999999994 112.52 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.57 -22.35 19.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 73.010000000000005 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.58 -3.58 67.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 42.109999999999999 112.438 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.97 140.77 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 74.329999999999998 110.949 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.907 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.31 140.01 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 96' ' ' GLU . 5.8 t -94.92 155.91 16.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 70.450000000000003 111.203 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -57.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 72.230000000000004 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.82 -42.72 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.219999999999999 110.858 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.614 ' HG2' HD12 ' A' ' 92' ' ' LEU . 28.6 tt0 -67.24 -36.79 82.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 62.43 110.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.907 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.33 -33.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.310000000000002 111.132 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.7 m -74.78 -42.59 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 62.030000000000001 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 m -70.46 -43.19 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.450000000000003 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -63.44 -46.65 85.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 64.150000000000006 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.32 -24.08 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -28.09 14.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 73.129999999999995 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -55.37 -24.64 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.349999999999994 110.895 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -21.91 18.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 71.040000000000006 110.863 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.67 -9.1 66.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.491 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 42.4 mm -92.5 125.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.771 0.319 . . . . 73.219999999999999 111.14 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.69 -2.22 41.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 44.32 110.883 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -55.64 -24.82 35.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.04 -29.91 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 73.109999999999999 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.02 74.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 61.520000000000003 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -72.44 -31.44 65.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 62.5 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.37 -45.24 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 71.200000000000003 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.4 HG11 HG11 ' A' ' 97' ' ' VAL . 9.8 p -66.94 -31.65 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 70.519999999999996 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.0 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.903 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -78.87 -20.9 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.987 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.75 5.2 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.109999999999999 111.1 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.83 83.32 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.120000000000005 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.53 -16.84 60.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.049999999999997 111.124 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -100.96 -2.48 31.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 71.099999999999994 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.17 28.16 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 23.43 112.493 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -67.28 -21.46 65.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 75.120000000000005 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.71 0.88 82.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 61.210000000000001 112.456 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -147.45 161.27 41.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.355 . . . . 73.109999999999999 110.955 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.519 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -121.8 123.32 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 70.420000000000002 111.123 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.731 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.9 t -88.02 -176.11 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.400000000000006 111.178 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 ' HD2' ' A' ' 78' ' ' LYS . 5.7 mt -48.75 -48.63 40.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 54.009999999999998 110.907 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.81 -54.83 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.450000000000003 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.731 ' HG3' HG22 ' A' ' 125' ' ' THR . 17.9 mt-10 -56.24 -40.87 74.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.891 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.85 -40.18 87.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 64.010000000000005 110.845 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.629 HD13 ' CB ' ' A' ' 74' ' ' LYS . 12.2 tp -70.56 -24.35 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.450000000000003 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.76 -17.51 38.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.150000000000006 110.845 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.09 70.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.882 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.526 ' CB ' HD13 ' A' ' 77' ' ' LEU . 45.0 m -158.56 91.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 73.049999999999997 110.874 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.319999999999993 110.933 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.54 -0.224 . . . . 75.510000000000005 112.54 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 127.05 31.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 73.519999999999996 110.963 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.72 127.55 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 71.349999999999994 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.71 177.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 54.240000000000002 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.632 ' CB ' HD13 ' A' ' 75' ' ' ILE . 36.5 m -103.42 140.99 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.841 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -34.9 147.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 63.549999999999997 110.862 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -45.32 -23.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 60.399999999999999 110.851 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.591 ' HD2' HD13 ' A' ' 130' ' ' LEU . 2.7 pttt -83.85 11.71 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 75.099999999999994 110.908 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.9 tp -51.42 -41.62 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.540000000000006 111.177 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.33 -52.18 53.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.777 . . . . 64.049999999999997 112.456 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.73 -44.34 85.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.891 0.376 . . . . 73.120000000000005 110.945 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -63.17 -42.17 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.807 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 75' ' ' ILE . 46.7 t -60.21 -54.56 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 73.430000000000007 111.102 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.51 -52.82 63.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 71.209999999999994 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.7 t80 -51.8 -54.77 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 73.219999999999999 110.893 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -47.58 84.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.109999999999999 110.955 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -54.82 -41.3 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 51.399999999999999 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -14.75 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.329999999999998 110.847 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.75 76.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 71.310000000000002 110.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.46 -12.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.075 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -80.03 -3.28 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.847 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.28 45.46 15.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 55.229999999999997 112.534 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -93.97 -23.67 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 73.409999999999997 110.873 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.69 65.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 72.530000000000001 112.536 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 13.7 ptmt -139.19 154.59 48.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 62.509999999999998 110.89 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.831 HD11 HG23 ' A' ' 97' ' ' VAL . 3.2 pp -123.4 143.52 50.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.420000000000002 110.932 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.23 157.41 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.340000000000003 111.16 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HZ3' HG22 ' A' ' 113' ' ' VAL . 8.7 mmtt -37.05 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -52.7 -44.73 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 51.130000000000003 110.933 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.15 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 61.240000000000002 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.36 -32.53 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 54.310000000000002 111.137 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.1 m -73.15 -45.25 57.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 73.099999999999994 111.198 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.7 m -70.19 -37.69 75.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 65.200000000000003 110.899 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.92 -48.1 72.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.219999999999999 110.872 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -24.86 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.340000000000003 110.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -28.26 16.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 75.319999999999993 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -55.77 -24.58 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 74.109999999999999 110.893 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.98 -16.43 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 70.409999999999997 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.91 -6.72 73.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 65.349999999999994 112.444 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.51 131.63 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 65.099999999999994 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.22 -6.51 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 65.549999999999997 110.911 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.9 mmpm? -55.44 -24.36 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.989 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.83 -30.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.340000000000003 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -66.59 -41.87 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 111.049 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.42 -41.57 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 75.099999999999994 110.894 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -64.59 -44.37 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.229999999999997 110.936 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HZ3' ' A' ' 94' ' ' LYS . 9.6 p -68.32 -30.38 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -42.69 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 110.9 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.07 -20.63 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 110.957 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.33 -19.32 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 33.329999999999998 111.071 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.81 81.98 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.329999999999998 110.896 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.2 -21.26 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 50.340000000000003 111.073 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -83.65 -2.82 56.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.140000000000001 110.84 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.94 30.06 4.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 70.019999999999996 112.513 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -75.39 -18.8 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.409999999999997 110.844 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.51 2.31 74.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 73.099999999999994 112.437 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -137.56 155.72 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.140000000000001 110.935 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.415 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -132.74 129.48 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.109999999999999 111.069 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 7.6 t -100.16 -177.42 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.119999999999997 111.163 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.19 -32.31 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.150000000000006 110.913 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 125' ' ' THR . 12.6 mm-40 -58.14 -55.26 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.109999999999999 110.837 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -45.8 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -55.14 -39.74 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 75.510000000000005 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 74' ' ' LYS . 12.7 tp -73.92 -20.26 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 72.439999999999998 110.92 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -18.37 39.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 73.109999999999999 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -109.27 70.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.7 m -158.26 91.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.120000000000005 110.876 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 44.409999999999997 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 74.3 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -62.25 -42.22 99.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 65.34 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.01 -54.92 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.182 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.99 -51.59 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.947 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.579 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.5 t80 -51.9 -55.27 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 51.34 110.868 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -42.78 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 63.11 110.877 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -38.59 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.936 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mmt -72.48 -12.03 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.55 110.879 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.54 74.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 54.45 110.866 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -60.48 -16.85 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.144 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.29 -2.85 50.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.878 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.07 45.27 20.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 70.23 112.466 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -94.57 -18.34 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 63.2 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.84 -3.41 75.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 73.3 112.502 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.1 OUTLIER -138.23 134.14 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 53.44 110.884 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 97' ' ' VAL . 2.7 pp -97.36 142.34 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.923 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 9.0 t -92.34 157.18 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 55.11 111.142 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.34 -53.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.915 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.1 -44.78 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 93' ' ' THR . 18.3 tt0 -61.99 -46.74 87.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.883 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.83 -32.68 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.09 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.0 m -73.44 -37.53 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 74.43 111.162 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -39.56 75.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 54.34 110.849 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -67.85 -45.47 74.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -25.56 56.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.54 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -28.65 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -55.86 -28.46 56.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.625 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -92.93 -15.6 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 72.32 110.831 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.23 3.9 89.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 41.41 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' HB3' ' A' ' 104' ' ' HIS . 9.4 mt -83.9 129.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 42.24 111.13 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.26 -17.35 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -54.79 -25.62 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 60.54 110.957 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.57 -29.46 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 61.43 111.104 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.44 111.09 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.53 -32.48 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.32 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.23 -44.86 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 71.33 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -31.38 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 71.52 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -35.34 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.936 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -84.3 -21.76 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.06 -16.62 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 70.51 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.72 82.47 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.15 110.893 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.38 -17.16 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.22 111.097 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.13 -2.28 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.36 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 33.3 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -70.34 -20.69 62.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 62.34 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.28 -1.37 88.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 41.42 112.47 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -147.16 156.75 43.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 75.41 110.967 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -122.73 131.82 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.1 111.137 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 128' ' ' GLU . 11.0 t -89.26 -177.07 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.109 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mp -51.03 -42.61 60.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.902 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.56 -55.17 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.92 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 125' ' ' THR . 14.2 mt-10 -56.03 -46.93 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 61.11 110.899 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -54.93 -39.74 69.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 15.2 tp -74.03 -19.2 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.937 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.81 -18.9 38.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.896 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.863 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.87 0.367 . . . . 73.13 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.705 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -59.54 -47.33 85.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.896 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.47 -55.11 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 52.43 111.108 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.58 -39.55 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.622 ' CE2' HD22 ' A' ' 92' ' ' LEU . 31.3 t80 -56.57 -54.04 50.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 65.2 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.63 -44.0 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.23 110.823 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 83' ' ' LEU . 2.3 tt -57.04 -42.01 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 70.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 10.0 mmt -71.46 -11.2 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.822 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.04 66.66 7.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 74.43 110.822 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.57 -18.57 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 70.51 111.169 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -80.95 -2.88 49.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.887 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.28 45.76 35.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 73.42 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -98.44 -23.87 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 74.44 110.801 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.68 2.17 63.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.42 112.467 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -145.16 138.73 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 70.14 110.859 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CE2' ' A' ' 81' ' ' PHE . 2.3 mp -96.54 144.87 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.94 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 123' ' ' TYR . 5.8 m -93.98 155.07 17.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.133 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 2.8 tttt -35.57 -45.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 64.3 110.888 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -69.15 -45.04 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' THR . 52.3 tt0 -62.76 -53.18 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.894 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.4 p -55.82 -38.28 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 71.21 111.162 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.4 m -67.29 -44.32 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.4 m -70.23 -36.99 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.867 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 92' ' ' LEU . 3.3 m-85 -62.43 -49.69 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 61.22 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CB ' HG11 ' A' ' 109' ' ' VAL . 2.7 m-85 -76.11 -27.18 57.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.87 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -28.83 42.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.889 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -56.99 -30.26 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 51.1 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -10.95 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.888 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.22 -3.62 84.24 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 74.25 112.529 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 106' ' ' ILE . 1.8 tt -88.23 122.48 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 62.22 111.163 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.47 -14.67 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -25.97 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 63.11 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 101' ' ' PHE . 7.2 p -51.67 -29.46 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 71.22 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.14 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.082 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.64 -33.34 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.87 -44.02 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.906 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.524 HG23 HG21 ' A' ' 124' ' ' ILE . 8.1 p -69.38 -31.05 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 42.15 111.142 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -35.59 46.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.31 110.903 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.41 -21.96 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.33 110.89 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.67 -19.08 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.44 111.067 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 82.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.65 -16.92 60.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 70.2 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.53 -2.81 34.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.26 29.65 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 72.33 112.536 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -70.76 -20.83 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 52.12 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 85.83 -2.08 87.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 54.33 112.528 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 93' ' ' THR . 7.6 m-85 -136.44 161.37 36.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 74.04 110.957 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.524 HG21 HG23 ' A' ' 113' ' ' VAL . 2.5 pt -127.87 121.46 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 61.41 111.158 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 127' ' ' GLU . 13.2 t -90.8 -177.26 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 75.35 111.147 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt -52.31 -31.13 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 60.31 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 125' ' ' THR . 55.8 mm-40 -58.65 -54.3 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.879 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.495 ' OE1' HG22 ' A' ' 124' ' ' ILE . 0.7 OUTLIER -56.45 -45.63 80.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.34 110.915 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -39.41 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 130' ' ' LEU . 13.3 tp -74.55 -20.16 60.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.956 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.57 -18.75 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 44.1 110.859 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 71.34 110.902 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.904 0.383 . . . . 74.12 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.718 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -62.17 -43.74 98.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 64.25 110.926 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.51 -54.66 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.079 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -51.9 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.04 110.904 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 92' ' ' LEU . 7.9 t80 -50.88 -55.5 16.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.916 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.32 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.12 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -55.4 -42.04 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 45.41 110.912 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -11.6 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.857 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.78 75.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.34 -13.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.12 111.116 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -79.96 -3.15 47.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 54.34 110.894 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.02 45.53 14.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 52.51 112.517 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -92.23 -22.46 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 72.2 110.896 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.41 -3.61 72.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.473 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.33 157.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 73.23 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 97' ' ' VAL . 3.1 pp -123.86 143.47 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 63.43 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 96' ' ' GLU . 8.8 t -91.91 156.81 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 72.35 111.097 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.6 tttt -37.65 -55.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.907 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.75 -44.35 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 62.11 110.887 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 93' ' ' THR . 14.4 tt0 -61.01 -47.43 86.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.05 110.865 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.602 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.74 -33.58 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.156 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 84.9 m -74.75 -31.03 61.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.111 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t -69.96 -47.39 62.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 54.24 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.41 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' A' ' 109' ' ' VAL . 11.1 m-85 -75.91 -25.83 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.874 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -28.91 24.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.965 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -56.22 -25.21 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 43.45 110.926 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.67 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -96.61 -21.18 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.872 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.96 -5.24 78.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 53.52 112.577 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 104' ' ' HIS . 5.9 mt -79.15 127.97 38.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 75.55 111.083 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -101.11 -12.95 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -55.08 -26.39 37.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.918 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 101' ' ' PHE . 10.2 p -52.2 -30.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 63.33 111.144 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.23 83.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.11 111.169 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.49 -31.87 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.856 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -71.87 -44.92 62.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.42 -31.25 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -35.53 48.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 63.54 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -83.2 -22.09 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.925 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.4 -18.85 32.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.02 111.07 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.36 82.48 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.12 110.847 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.94 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.44 111.049 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -86.87 -2.35 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.18 29.27 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 61.32 112.458 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -71.4 -20.71 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 71.2 110.904 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.42 1.62 76.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 60.44 112.572 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.21 158.97 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 73.24 110.943 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.438 HD11 ' HD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -130.74 127.16 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.123 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.8 t -90.42 -177.49 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.44 111.143 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.718 HD22 ' HD3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -52.03 -36.56 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.895 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 125' ' ' THR . 22.6 mm-40 -59.91 -56.44 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.867 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.87 -44.63 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.438 ' HD1' HD11 ' A' ' 124' ' ' ILE . 6.2 t80 -56.65 -39.28 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.944 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.8 tp -74.22 -19.97 60.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.58 -18.87 39.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.845 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.864 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.863 0.363 . . . . 74.22 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -43.93 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 60.53 110.952 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.6 t -60.36 -53.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.24 111.134 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.27 -47.97 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 60.34 110.963 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HE2' HD23 ' A' ' 92' ' ' LEU . 22.4 t80 -58.6 -55.39 35.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.863 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.9 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -24.22 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 70.03 110.943 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -36.03 72.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 75.34 110.884 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.53 78.5 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -57.35 -17.83 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.155 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -79.87 -2.22 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 64.32 110.855 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.25 45.87 34.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 73.24 112.481 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -97.62 -19.65 18.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 62.24 110.851 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.6 66.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 73.21 112.517 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -134.96 135.41 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 63.22 110.919 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 HG23 ' A' ' 97' ' ' VAL . 1.6 pp -96.62 140.61 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.853 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.5 t -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.24 111.142 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.12 -54.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 71.53 110.928 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -52.78 -45.0 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 72.24 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.04 -46.62 88.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.01 110.82 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.01 -32.71 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.42 111.123 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -73.47 -36.33 65.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 72.11 111.184 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -40.44 75.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -69.62 -44.13 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -24.67 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -28.55 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -24.55 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.894 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.28 -21.08 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 70.55 110.812 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.07 -5.44 75.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 32.24 112.521 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.83 130.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.831 0.348 . . . . 74.11 111.13 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -102.85 -10.91 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.45 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.901 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.43 -29.43 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.24 111.167 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.72 80.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 53.32 111.071 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -72.3 -32.33 66.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 64.3 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -45.11 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.899 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.72 -31.29 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 mmt -77.1 -36.16 55.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.63 -21.28 32.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 63.45 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.74 -19.19 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 73.25 111.132 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -94.18 83.53 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.923 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -19.11 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.25 111.087 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -83.31 -2.59 56.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 62.14 110.917 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.53 28.31 6.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 73.2 112.522 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.65 -23.41 64.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 64.41 110.861 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.73 -1.89 70.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 54.12 112.503 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.25 154.92 47.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 75.22 110.867 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -124.7 128.16 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.121 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -85.94 -177.41 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.071 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.533 HD12 ' H ' ' A' ' 126' ' ' LEU . 4.8 mp -49.42 -47.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.81 -54.52 43.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.853 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 125' ' ' THR . 16.0 mt-10 -57.86 -38.26 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.856 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.402 ' HA ' HD11 ' A' ' 124' ' ' ILE . 91.0 t80 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 55.01 110.909 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 130' ' ' LEU . 12.7 tp -72.46 -23.82 61.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.907 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -84.32 -18.0 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.11 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.83 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 130' ' ' LEU . 13.1 tp . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.944 0.402 . . . . 54.42 110.943 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -62.12 -45.37 93.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.02 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.94 -53.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.43 111.106 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -50.25 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.32 110.871 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.536 ' CD1' HD23 ' A' ' 126' ' ' LEU . 22.8 t80 -50.45 -54.76 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.52 110.914 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -45.98 88.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 64.31 110.864 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.07 -41.69 71.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 73.12 110.853 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.2 mmm -71.62 -14.51 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.915 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.08 74.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.5 -15.4 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 70.03 111.197 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -80.47 -3.28 49.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 71.25 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.95 45.6 14.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 43.53 112.498 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -92.92 -20.7 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.99 0.27 68.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 72.25 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.98 161.34 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 63.44 110.879 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 96' ' ' GLU . 68.8 mt -123.18 148.42 45.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.879 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -93.97 152.84 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.145 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -36.69 -61.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 65.14 110.862 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -53.99 -44.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.835 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' HD22 ' A' ' 92' ' ' LEU . 37.2 tt0 -60.24 -49.15 78.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 113' ' ' VAL . 49.1 t -50.68 -45.51 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.1 111.163 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -69.29 -30.39 68.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 65.24 111.114 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -70.56 -50.09 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 55.31 110.841 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.35 -39.42 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.9 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.822 ' HB3' HG11 ' A' ' 109' ' ' VAL . 1.8 t80 -76.37 -26.4 55.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 60.12 110.828 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -28.7 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -56.04 -24.86 42.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.884 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.4 t-160 -87.72 -22.38 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.858 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -13.64 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 51.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 104' ' ' HIS . 3.5 mt -80.88 130.59 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 74.31 111.086 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.24 -15.94 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 44.32 110.835 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -54.94 -26.31 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.822 HG11 ' HB3' ' A' ' 101' ' ' PHE . 7.2 p -52.26 -29.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 63.32 111.121 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.87 -31.61 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.04 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -73.36 -44.21 59.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 97' ' ' VAL . 7.5 p -68.74 -31.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 73.15 111.127 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -35.96 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 74.34 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -81.86 -22.1 37.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 42.25 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.73 -18.36 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.094 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.31 81.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 73.2 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.61 -28.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 65.43 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -84.06 -2.46 56.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.32 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.6 29.42 7.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 62.3 112.484 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -71.48 -21.09 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 62.43 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.49 0.37 84.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -147.5 161.05 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 75.21 110.959 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.655 HG21 HG23 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -119.56 125.21 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.24 111.153 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.611 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -83.6 -177.77 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -52.52 -48.18 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.906 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.03 -52.55 58.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 42.01 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HG3' HG22 ' A' ' 125' ' ' THR . 8.0 mt-10 -55.83 -47.6 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.869 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.35 -39.9 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 77' ' ' LEU . 13.9 tp -73.39 -20.31 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.928 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.93 -18.35 40.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 63.24 110.861 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.852 0.358 . . . . 72.21 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -57.43 -47.23 82.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 62.21 110.912 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.23 -51.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.164 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -53.58 52.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.915 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -50.64 -54.92 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 65.41 110.923 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -42.79 96.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 75.14 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.62 -39.69 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.45 110.937 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -14.63 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.2 75.42 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.85 -14.24 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 65.2 111.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -79.23 -3.26 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.942 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.21 45.56 10.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 64.32 112.474 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -94.39 -21.29 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 42.03 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.6 68.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 73.24 112.49 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -138.65 143.35 39.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 72.31 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.8 140.26 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.923 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 96' ' ' GLU . 14.0 t -94.22 155.65 16.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.178 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -57.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 53.13 110.863 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.18 -41.38 60.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.21 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 92' ' ' LEU . 27.8 tt0 -68.06 -37.46 81.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.4 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.911 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.21 -33.7 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.33 111.14 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.5 m -75.69 -38.72 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 54.12 111.172 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -45.96 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.53 110.821 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -64.77 -43.98 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -76.89 -23.58 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -27.64 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 64.02 110.862 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -54.79 -24.64 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 75.23 110.856 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.61 -25.57 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.35 110.844 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -9.9 65.1 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 63.21 112.473 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.568 HG22 ' H ' ' A' ' 108' ' ' LYS . 43.4 mm -95.27 122.03 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 75.03 111.126 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -0.99 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.876 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.568 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -56.01 -24.64 40.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 62.53 110.889 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.85 -29.61 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.5 111.155 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.71 82.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -72.9 -32.04 65.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 71.53 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -44.68 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.3 110.939 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.38 -31.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 62.15 111.128 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.91 -37.94 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.835 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.06 -21.21 43.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.927 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.21 -19.06 24.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.45 111.149 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.19 82.93 6.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.805 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -18.88 60.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.04 111.027 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -83.59 -2.09 55.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 74.11 110.915 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.63 28.71 11.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 74.31 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.15 -22.5 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.34 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.5 3.64 72.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 31.25 112.509 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -149.8 161.5 42.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 71.44 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.51 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -124.12 123.47 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 73.42 111.117 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.4 t -88.16 -176.54 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.504 HD12 ' H ' ' A' ' 126' ' ' LEU . 4.8 mp -48.64 -48.66 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.923 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.49 -54.55 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.704 ' HG3' HG22 ' A' ' 125' ' ' THR . 18.3 mt-10 -56.12 -41.75 75.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.15 110.869 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.99 -41.04 86.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 73.02 110.863 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -69.58 -24.39 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.31 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.56 -17.55 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.31 110.863 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.914 0.388 . . . . 74.33 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -45.95 80.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.13 110.849 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.1 t -58.13 -51.61 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.154 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.39 -53.45 53.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 63.14 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.19 -55.38 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.827 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -43.64 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.13 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.64 -40.28 71.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.45 110.929 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -12.57 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.873 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.18 76.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 54.52 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.51 -13.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 71.21 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -79.53 -3.29 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.919 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.81 45.69 9.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 70.11 112.431 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.48 -20.73 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 75.34 110.825 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.53 -4.26 69.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 73.4 112.471 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.3 OUTLIER -138.26 155.82 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 62.42 110.853 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.876 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.43 140.14 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.41 110.919 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 96' ' ' GLU . 4.3 t -93.93 156.05 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.1 111.09 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -40.46 -57.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.877 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -51.45 -41.02 60.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 60.35 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' A' ' 92' ' ' LEU . 26.7 tt0 -68.57 -37.2 79.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.857 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.876 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -61.13 -33.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.114 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.3 m -75.11 -41.65 58.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 60.12 111.164 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -43.76 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 54.03 110.842 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -64.17 -45.46 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.925 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.5 -24.38 53.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 73.4 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -27.92 13.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 70.41 110.933 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.36 -24.58 30.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.52 110.913 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.782 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.2 t-160 -89.03 -23.67 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 65.33 110.87 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.71 -3.57 74.67 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.686 -0.768 . . . . 63.2 112.463 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 104' ' ' HIS . 2.3 mp -94.75 132.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 55.25 111.169 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -97.65 -7.96 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.888 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.591 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -55.11 -24.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.12 110.899 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.75 -29.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 71.24 111.089 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.02 74.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.034 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -73.1 -33.11 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -73.75 -44.25 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.944 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 97' ' ' VAL . 8.5 p -67.69 -31.61 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 74.42 111.128 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -37.63 42.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.884 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.66 -20.97 41.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.76 -1.36 57.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 70.12 111.125 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 82.68 5.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.73 -18.12 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 50.21 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.31 -2.51 36.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.839 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.52 27.9 6.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.55 112.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -67.1 -21.38 65.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 73.1 110.818 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.01 3.3 74.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 71.42 112.455 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.69 161.34 42.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 63.23 110.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.584 HG22 ' OE2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER -124.1 125.18 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 74.41 111.106 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.0 t -87.34 -176.69 5.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.106 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -49.07 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.897 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.66 -53.02 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.853 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.584 ' OE2' HG22 ' A' ' 124' ' ' ILE . 44.5 tt0 -54.45 -46.36 73.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.02 -40.95 82.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 130' ' ' LEU . 9.4 tp -66.72 -24.97 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.04 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.2 -17.63 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.51 110.883 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 63.35 110.896 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.86 0.362 . . . . 71.04 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -61.51 -44.0 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.9 t -59.68 -52.46 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 62.11 111.14 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.06 -53.18 60.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HE1' HD23 ' A' ' 92' ' ' LEU . 17.8 t80 -50.75 -55.08 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.15 110.874 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.858 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -55.11 -41.74 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 60.42 110.971 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.5 mmt -71.72 -11.7 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.887 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -103.21 73.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.24 -16.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 62.15 111.145 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -80.26 -3.41 49.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.847 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.8 45.43 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 33.12 112.531 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -92.05 -22.63 19.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.835 0.35 . . . . 71.24 110.832 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.39 -3.99 70.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 52.41 112.468 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 1.2 pttp -138.35 157.21 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 71.33 110.919 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.742 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -123.72 142.51 51.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 73.24 110.932 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 96' ' ' GLU . 6.1 t -92.68 156.22 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.14 111.126 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.5 OUTLIER -37.71 -54.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.911 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.34 -44.37 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' H ' HG23 ' A' ' 93' ' ' THR . 25.1 tt0 -64.21 -40.99 97.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.742 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.76 -32.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.13 111.103 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.2 m -72.82 -45.14 60.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.187 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -70.35 -38.65 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.27 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -25.14 54.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.843 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -28.37 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.45 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -55.86 -24.72 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 63.13 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.44 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -96.53 -15.82 21.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 60.05 110.827 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.1 -5.97 75.77 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 71.35 112.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 104' ' ' HIS . 6.3 mt -88.68 131.35 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 52.14 111.16 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.82 -8.72 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 61.04 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -24.77 28.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 63.22 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -31.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 73.12 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.49 -47.27 86.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 70.41 111.126 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.52 -29.56 63.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -44.93 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.873 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.18 -31.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.52 111.096 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.61 -34.18 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.88 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -84.66 -23.87 29.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.852 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.76 -18.14 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 50.52 111.117 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.08 82.27 6.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 71.32 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 64.14 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -92.91 -2.62 55.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.78 29.81 6.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 55.32 112.483 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -73.74 -19.76 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 54.13 110.816 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.6 75.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 73.24 112.567 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.67 157.25 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 62.15 110.913 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -131.54 127.88 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 63.2 111.152 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.9 t -89.9 -177.06 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -39.92 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.95 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 125' ' ' THR . 6.4 mm-40 -60.75 -56.51 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.82 -45.53 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.58 -38.63 72.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 65.25 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.6 tp -74.41 -20.27 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 60.23 110.931 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -18.81 39.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 60.52 110.971 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.834 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.887 0.375 . . . . 64.23 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HD2' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -60.58 -51.86 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 71.55 110.959 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.24 -52.23 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.131 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -55.98 -51.44 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.408 ' HD2' HD23 ' A' ' 126' ' ' LEU . 8.1 t80 -50.55 -55.37 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.917 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -46.73 88.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -53.79 -43.27 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 53.34 110.933 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -70.91 -17.59 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.83 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.2 75.32 2.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.41 -12.5 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -79.68 -3.18 46.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 55.24 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.15 45.21 10.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 74.21 112.52 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.57 -22.35 19.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 73.01 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.58 -3.58 67.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 42.11 112.438 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.97 140.77 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 74.33 110.949 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.907 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.31 140.01 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 96' ' ' GLU . 5.8 t -94.92 155.91 16.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 70.45 111.203 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -57.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 72.23 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.82 -42.72 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.858 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.614 ' HG2' HD12 ' A' ' 92' ' ' LEU . 28.6 tt0 -67.24 -36.79 82.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 62.43 110.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.907 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.33 -33.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.31 111.132 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.7 m -74.78 -42.59 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 62.03 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 m -70.46 -43.19 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -63.44 -46.65 85.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 64.15 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.32 -24.08 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -28.09 14.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -55.37 -24.64 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.35 110.895 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -21.91 18.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.863 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.67 -9.1 66.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.491 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 42.4 mm -92.5 125.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.771 0.319 . . . . 73.22 111.14 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.69 -2.22 41.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 44.32 110.883 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -55.64 -24.82 35.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.04 -29.91 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 73.11 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.02 74.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 61.52 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -72.44 -31.44 65.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 62.5 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.37 -45.24 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.4 HG11 HG11 ' A' ' 97' ' ' VAL . 9.8 p -66.94 -31.65 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 70.52 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.0 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.903 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -78.87 -20.9 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.987 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.75 5.2 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.1 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.83 83.32 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.53 -16.84 60.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.05 111.124 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -100.96 -2.48 31.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.17 28.16 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 23.43 112.493 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -67.28 -21.46 65.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 75.12 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.71 0.88 82.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 61.21 112.456 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -147.45 161.27 41.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.355 . . . . 73.11 110.955 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.519 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -121.8 123.32 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 70.42 111.123 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.731 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.9 t -88.02 -176.11 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.4 111.178 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 ' HD2' ' A' ' 78' ' ' LYS . 5.7 mt -48.75 -48.63 40.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 54.01 110.907 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.81 -54.83 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.731 ' HG3' HG22 ' A' ' 125' ' ' THR . 17.9 mt-10 -56.24 -40.87 74.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.891 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.85 -40.18 87.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.845 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.414 ' O ' HD12 ' A' ' 130' ' ' LEU . 12.2 tp -70.56 -24.35 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.76 -17.51 38.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.845 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.882 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.891 0.376 . . . . 73.12 110.945 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -63.17 -42.17 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.807 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.21 -54.56 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 73.43 111.102 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.51 -52.82 63.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.7 t80 -51.8 -54.77 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.893 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -47.58 84.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.955 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -54.82 -41.3 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 51.4 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -14.75 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.847 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.75 76.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 71.31 110.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.46 -12.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.075 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -80.03 -3.28 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.847 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.28 45.46 15.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 55.23 112.534 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -93.97 -23.67 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 73.41 110.873 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.69 65.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 72.53 112.536 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 13.7 ptmt -139.19 154.59 48.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 62.51 110.89 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.831 HD11 HG23 ' A' ' 97' ' ' VAL . 3.2 pp -123.4 143.52 50.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.932 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.23 157.41 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.34 111.16 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HZ3' HG22 ' A' ' 113' ' ' VAL . 8.7 mmtt -37.05 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -52.7 -44.73 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 51.13 110.933 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.15 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 61.24 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.36 -32.53 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 54.31 111.137 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.1 m -73.15 -45.25 57.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 73.1 111.198 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.7 m -70.19 -37.69 75.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 65.2 110.899 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.92 -48.1 72.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.872 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -24.86 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -28.26 16.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -55.77 -24.58 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.893 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.98 -16.43 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 70.41 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.91 -6.72 73.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 65.35 112.444 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.51 131.63 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 65.1 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.22 -6.51 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 65.55 110.911 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.9 mmpm? -55.44 -24.36 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.989 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.83 -30.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.34 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -66.59 -41.87 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.049 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.42 -41.57 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.894 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -64.59 -44.37 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.23 110.936 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HZ3' ' A' ' 94' ' ' LYS . 9.6 p -68.32 -30.38 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -42.69 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 50.51 110.9 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.07 -20.63 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.957 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.33 -19.32 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 33.33 111.071 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.81 81.98 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.896 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.2 -21.26 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 50.34 111.073 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -83.65 -2.82 56.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.14 110.84 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.94 30.06 4.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 70.02 112.513 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -75.39 -18.8 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.41 110.844 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.51 2.31 74.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 73.1 112.437 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -137.56 155.72 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.14 110.935 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.415 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -132.74 129.48 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.069 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 7.6 t -100.16 -177.42 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.12 111.163 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.19 -32.31 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.913 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 125' ' ' THR . 12.6 mm-40 -58.14 -55.26 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.837 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -45.8 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -55.14 -39.74 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 75.51 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 130' ' ' LEU . 12.7 tp -73.92 -20.26 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.92 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -18.37 39.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.913 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.497 -0.241 . . . . 64.35 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -69.27 127.2 32.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 61.33 110.91 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.35 123.72 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.9 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -61.29 -170.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.904 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.624 ' HB2' HD12 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -106.92 141.26 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 71.03 110.865 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -35.52 149.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 70.12 110.876 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -44.43 -23.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 72.15 110.868 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HD3' HD22 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -83.42 12.33 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.891 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.649 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.5 tt -50.51 -39.9 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 60.31 111.123 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.3 -50.26 66.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 73.32 112.464 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.7 mt -58.88 -44.46 91.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 74.3 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -62.25 -42.22 99.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 65.34 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.4 t -61.01 -54.92 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 73.44 111.182 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.99 -51.59 65.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.947 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.579 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.5 t80 -51.9 -55.27 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 51.34 110.868 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -42.78 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 63.11 110.877 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -38.59 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.936 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.6 mmt -72.48 -12.03 60.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.55 110.879 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.54 74.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 54.45 110.866 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.9 p -60.48 -16.85 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.144 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.29 -2.85 50.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.878 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 47.07 45.27 20.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 70.23 112.466 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -94.57 -18.34 21.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.874 0.369 . . . . 63.2 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.84 -3.41 75.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 73.3 112.502 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.1 OUTLIER -138.23 134.14 34.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 53.44 110.884 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 97' ' ' VAL . 2.7 pp -97.36 142.34 29.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 71.5 110.923 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 9.0 t -92.34 157.18 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 55.11 111.142 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.34 -53.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.915 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.1 -44.78 67.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.874 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 93' ' ' THR . 18.3 tt0 -61.99 -46.74 87.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.883 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.83 -32.68 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.09 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.0 m -73.44 -37.53 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 74.43 111.162 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -39.56 75.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 54.34 110.849 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -67.85 -45.47 74.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.882 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.7 -25.56 56.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 71.54 110.949 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -28.65 23.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 64.15 110.888 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -55.86 -28.46 56.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.88 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.625 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -92.93 -15.6 26.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 72.32 110.831 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.23 3.9 89.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 41.41 112.474 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' HB3' ' A' ' 104' ' ' HIS . 9.4 mt -83.9 129.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 42.24 111.13 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -97.26 -17.35 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 71.15 110.864 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -54.79 -25.62 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 60.54 110.957 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.4 p -51.57 -29.46 9.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 61.43 111.104 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.61 -45.06 80.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.44 111.09 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.53 -32.48 66.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.32 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.23 -44.86 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 71.33 110.935 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -31.38 48.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 71.52 111.14 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -35.34 55.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.936 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -84.3 -21.76 30.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 73.34 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.06 -16.62 40.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 70.51 111.094 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.72 82.47 7.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 60.15 110.893 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.38 -17.16 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 62.22 111.097 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.13 -2.28 37.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.86 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.36 5.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 33.3 112.516 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -70.34 -20.69 62.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.875 0.369 . . . . 62.34 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 83.28 -1.37 88.81 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.746 . . . . 41.42 112.47 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -147.16 156.75 43.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.835 0.35 . . . . 75.41 110.967 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 124' ' ' ILE . 0.1 OUTLIER -122.73 131.82 72.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.1 111.137 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.481 HG22 ' HG3' ' A' ' 128' ' ' GLU . 11.0 t -89.26 -177.07 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.109 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mp -51.03 -42.61 60.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.902 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -58.56 -55.17 38.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.44 110.92 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.481 ' HG3' HG22 ' A' ' 125' ' ' THR . 14.2 mt-10 -56.03 -46.93 78.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 61.11 110.899 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -54.93 -39.74 69.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.12 110.875 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.427 HD22 ' HD3' ' A' ' 74' ' ' LYS . 15.2 tp -74.03 -19.2 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.937 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -82.81 -18.9 38.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.896 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.38 69.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.0 m -158.15 91.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 41.12 110.825 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.53 110.967 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.437 -0.265 . . . . 74.24 112.437 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -69.43 125.61 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 73.02 110.91 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.5 137.47 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 60.13 110.836 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -60.88 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.927 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.611 ' HB2' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -108.18 141.17 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 51.25 110.896 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 75' ' ' ILE . 1.1 m-20 -35.77 149.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.905 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -44.68 -23.01 0.1 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 60.14 110.82 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HD3' HD13 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -83.38 12.04 6.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 64.01 110.92 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 71' ' ' SER . 6.8 tt -50.73 -40.07 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 72.53 111.207 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.73 -44.4 97.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.69 -0.766 . . . . 41.35 112.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.534 HD13 ' OG ' ' A' ' 133' ' ' SER . 6.5 mt -64.25 -48.97 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 73.13 110.875 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.705 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -59.54 -47.33 85.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.896 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 75' ' ' ILE . 55.8 t -58.47 -55.11 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 52.43 111.108 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.58 -39.55 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.622 ' CE2' HD22 ' A' ' 92' ' ' LEU . 31.3 t80 -56.57 -54.04 50.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 65.2 110.93 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -68.63 -44.0 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.23 110.823 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.561 ' O ' HD23 ' A' ' 83' ' ' LEU . 2.3 tt -57.04 -42.01 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 70.12 110.895 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 10.0 mmt -71.46 -11.2 60.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.822 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.04 66.66 7.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 74.43 110.822 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.57 -18.57 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 70.51 111.169 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -80.95 -2.88 49.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.887 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.28 45.76 35.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 73.42 112.487 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -98.44 -23.87 15.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 74.44 110.801 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.68 2.17 63.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.763 -0.732 . . . . 71.42 112.467 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -145.16 138.73 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.921 0.391 . . . . 70.14 110.859 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.622 HD22 ' CE2' ' A' ' 81' ' ' PHE . 2.3 mp -96.54 144.87 26.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.94 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 123' ' ' TYR . 5.8 m -93.98 155.07 17.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.42 111.133 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' THR . 2.8 tttt -35.57 -45.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 64.3 110.888 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -69.15 -45.04 71.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.889 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' THR . 52.3 tt0 -62.76 -53.18 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 73.15 110.894 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.4 p -55.82 -38.28 50.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 71.21 111.162 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.4 m -67.29 -44.32 79.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.121 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.4 m -70.23 -36.99 74.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.867 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 92' ' ' LEU . 3.3 m-85 -62.43 -49.69 74.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 61.22 110.952 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.424 ' CB ' HG11 ' A' ' 109' ' ' VAL . 2.7 m-85 -76.11 -27.18 57.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.44 110.87 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.12 -28.83 42.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.889 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -56.99 -30.26 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 51.1 110.918 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.4 -10.95 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.888 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.22 -3.62 84.24 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 74.25 112.529 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.408 HG23 ' O ' ' A' ' 106' ' ' ILE . 1.8 tt -88.23 122.48 39.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 62.22 111.163 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.47 -14.67 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -25.97 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 63.11 110.942 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 101' ' ' PHE . 7.2 p -51.67 -29.46 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 71.22 111.114 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.24 -46.14 71.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.43 111.082 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -73.64 -33.34 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.31 110.867 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.87 -44.02 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.906 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.524 HG23 HG21 ' A' ' 124' ' ' ILE . 8.1 p -69.38 -31.05 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 42.15 111.142 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -35.59 46.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 54.31 110.903 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.41 -21.96 32.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 65.33 110.89 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.67 -19.08 33.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 65.44 111.067 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 82.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.898 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.65 -16.92 60.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 70.2 111.157 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -99.53 -2.81 34.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.26 29.65 3.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 72.33 112.536 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -70.76 -20.83 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.928 0.394 . . . . 52.12 110.89 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 85.83 -2.08 87.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 54.33 112.528 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 93' ' ' THR . 7.6 m-85 -136.44 161.37 36.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.876 0.369 . . . . 74.04 110.957 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.524 HG21 HG23 ' A' ' 113' ' ' VAL . 2.5 pt -127.87 121.46 56.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 61.41 111.158 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 127' ' ' GLU . 13.2 t -90.8 -177.26 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 75.35 111.147 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.705 HD22 ' HD3' ' A' ' 78' ' ' LYS . 2.0 mt -52.31 -31.13 31.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 60.31 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 125' ' ' THR . 55.8 mm-40 -58.65 -54.3 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.5 110.879 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.495 ' OE1' HG22 ' A' ' 124' ' ' ILE . 0.7 OUTLIER -56.45 -45.63 80.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 75.34 110.915 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.36 -39.41 72.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.912 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.48 HD13 ' HD3' ' A' ' 74' ' ' LYS . 13.3 tp -74.55 -20.16 60.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 61.24 110.956 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.57 -18.75 37.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 44.1 110.859 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.33 70.36 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 71.34 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.534 ' OG ' HD13 ' A' ' 77' ' ' LEU . 73.3 m -158.74 91.64 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.887 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.91 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 62.03 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.23 126.1 28.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 64.31 110.897 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.31 139.82 58.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.44 110.909 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 64.44 110.878 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.568 ' HB3' HD12 ' A' ' 75' ' ' ILE . 27.9 t -99.55 140.99 32.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.03 110.849 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.4 OUTLIER -35.54 149.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 65.33 110.883 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -44.82 -22.75 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.844 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.571 ' CB ' HD13 ' A' ' 130' ' ' LEU . 1.1 pptp? -83.37 11.65 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 74.12 110.851 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 79' ' ' VAL . 5.8 tt -50.27 -41.26 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 71.44 111.113 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.39 -44.57 97.45 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.698 -0.763 . . . . 63.14 112.481 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.24 -47.49 84.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 74.12 110.984 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.718 ' HD3' HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -62.17 -43.74 98.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 64.25 110.926 179.781 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 75' ' ' ILE . 51.6 t -59.51 -54.66 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.079 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -51.9 65.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.04 110.904 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CE1' HD23 ' A' ' 92' ' ' LEU . 7.9 t80 -50.88 -55.5 16.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.916 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -44.32 95.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.12 110.904 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -55.4 -42.04 73.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 45.41 110.912 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -11.6 60.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.857 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.78 75.07 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 72.1 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.34 -13.0 11.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 75.12 111.116 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -79.96 -3.15 47.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 54.34 110.894 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.02 45.53 14.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 52.51 112.517 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -92.23 -22.46 19.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 72.2 110.896 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.41 -3.61 72.19 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.473 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.33 157.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 73.23 110.91 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 97' ' ' VAL . 3.1 pp -123.86 143.47 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 63.43 110.856 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 96' ' ' GLU . 8.8 t -91.91 156.81 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 72.35 111.097 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 7.6 tttt -37.65 -55.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.907 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -52.75 -44.35 66.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 62.11 110.887 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.46 ' H ' HG23 ' A' ' 93' ' ' THR . 14.4 tt0 -61.01 -47.43 86.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 72.05 110.865 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.602 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.74 -33.58 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.24 111.156 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 84.9 m -74.75 -31.03 61.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.164 -0.471 . . . . 71.11 111.111 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.9 t -69.96 -47.39 62.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 54.24 110.89 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -67.36 -40.56 85.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 64.41 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.667 ' CD1' HG21 ' A' ' 109' ' ' VAL . 11.1 m-85 -75.91 -25.83 56.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.874 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -28.91 24.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.14 110.965 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -56.22 -25.21 46.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 43.45 110.926 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.67 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.3 OUTLIER -96.61 -21.18 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 70.42 110.872 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.96 -5.24 78.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 53.52 112.577 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 104' ' ' HIS . 5.9 mt -79.15 127.97 38.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.742 0.306 . . . . 75.55 111.083 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -101.11 -12.95 18.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.902 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -55.08 -26.39 37.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 73.31 110.918 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 101' ' ' PHE . 10.2 p -52.2 -30.26 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 63.33 111.144 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.23 83.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.11 111.169 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -72.49 -31.87 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.856 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -71.87 -44.92 62.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.4 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.42 -31.25 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 73.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -35.53 48.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 63.54 110.902 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -83.2 -22.09 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.925 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.4 -18.85 32.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 61.02 111.07 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.36 82.48 7.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 73.12 110.847 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.7 -17.94 60.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 65.44 111.049 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -86.87 -2.35 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 54.23 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.18 29.27 6.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.786 -0.721 . . . . 61.32 112.458 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -71.4 -20.71 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 71.2 110.904 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 77.42 1.62 76.62 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 60.44 112.572 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -140.21 158.97 43.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 73.24 110.943 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.438 HD11 ' HD1' ' A' ' 129' ' ' PHE . 0.0 OUTLIER -130.74 127.16 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.02 111.123 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.8 t -90.42 -177.49 5.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 61.44 111.143 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.718 HD22 ' HD3' ' A' ' 78' ' ' LYS . 0.5 OUTLIER -52.03 -36.56 50.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.31 110.895 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 125' ' ' THR . 22.6 mm-40 -59.91 -56.44 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.867 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -56.87 -44.63 82.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 64.52 110.889 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.438 ' HD1' HD11 ' A' ' 124' ' ' ILE . 6.2 t80 -56.65 -39.28 73.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.944 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.571 HD13 ' CB ' ' A' ' 74' ' ' LYS . 14.8 tp -74.22 -19.97 60.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.993 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -82.58 -18.87 39.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.11 110.845 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.58 69.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.32 110.864 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.21 92.13 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.51 . . . . 73.23 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.458 -0.257 . . . . 23.42 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -69.28 126.75 30.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 64.15 110.918 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.31 142.32 57.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.44 179.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 74.31 110.912 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.636 ' HB2' HD12 ' A' ' 75' ' ' ILE . 1.1 m -106.17 141.33 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 55.53 110.801 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -35.55 149.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.081 -0.509 . . . . 73.33 110.801 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -44.69 -23.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.1 110.857 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.696 ' HD3' HD13 ' A' ' 130' ' ' LEU . 0.3 OUTLIER -83.48 12.2 5.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 65.2 110.904 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 71' ' ' SER . 6.6 tt -50.37 -41.04 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 71.13 111.107 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.76 -47.82 89.32 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.729 -0.748 . . . . 71.1 112.537 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD21 ' OG ' ' A' ' 133' ' ' SER . 2.1 tp -61.08 -52.97 62.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.863 0.363 . . . . 74.22 110.916 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.88 -43.93 70.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 60.53 110.952 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 75' ' ' ILE . 49.6 t -60.36 -53.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 71.24 111.134 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.27 -47.97 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 60.34 110.963 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HE2' HD23 ' A' ' 92' ' ' LEU . 22.4 t80 -58.6 -55.39 35.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 73.35 110.863 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -50.9 67.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 73.35 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.38 -24.22 67.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 70.03 110.943 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.88 -36.03 72.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 75.34 110.884 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.53 78.5 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.886 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.1 p -57.35 -17.83 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.155 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -79.87 -2.22 42.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 64.32 110.855 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 49.25 45.87 34.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 73.24 112.481 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -97.62 -19.65 18.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.818 0.342 . . . . 62.24 110.851 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.6 66.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 73.21 112.517 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -134.96 135.41 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.33 . . . . 63.22 110.919 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 HG23 ' A' ' 97' ' ' VAL . 1.6 pp -96.62 140.61 30.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.853 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.5 t -94.54 157.9 15.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.24 111.142 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.12 -54.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 71.53 110.928 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -52.78 -45.0 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 72.24 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.04 -46.62 88.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.01 110.82 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -55.01 -32.71 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 71.42 111.123 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 91.4 m -73.47 -36.33 65.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 72.11 111.184 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -40.44 75.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 62.32 110.836 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -69.62 -44.13 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 74.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -24.67 55.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.23 -28.55 18.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.877 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -24.55 38.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.894 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -98.28 -21.08 16.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 70.55 110.812 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.07 -5.44 75.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 32.24 112.521 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -82.83 130.77 35.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.831 0.348 . . . . 74.11 111.13 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -102.85 -10.91 18.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.899 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -25.45 32.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.03 110.901 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.3 p -51.43 -29.43 9.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 63.24 111.167 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -45.72 80.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 53.32 111.071 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -72.3 -32.33 66.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 64.3 110.892 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.56 -45.11 63.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.899 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.72 -31.29 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.174 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.0 mmt -77.1 -36.16 55.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.12 110.843 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -83.63 -21.28 32.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.414 . . . . 63.45 110.894 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.74 -19.19 33.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 73.25 111.132 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -94.18 83.53 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.923 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.86 -19.11 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 74.25 111.087 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -83.31 -2.59 56.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 62.14 110.917 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.53 28.31 6.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.711 -0.757 . . . . 73.2 112.522 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.65 -23.41 64.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.907 0.384 . . . . 64.41 110.861 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.73 -1.89 70.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 54.12 112.503 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.25 154.92 47.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.917 0.389 . . . . 75.22 110.867 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -124.7 128.16 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.121 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -85.94 -177.41 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 74.32 111.071 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.533 HD12 ' H ' ' A' ' 126' ' ' LEU . 4.8 mp -49.42 -47.42 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.913 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -55.81 -54.52 43.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.853 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 125' ' ' THR . 16.0 mt-10 -57.86 -38.26 75.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 74.41 110.856 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.402 ' HA ' HD11 ' A' ' 124' ' ' ILE . 91.0 t80 -62.16 -39.27 92.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 55.01 110.909 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.696 HD13 ' HD3' ' A' ' 74' ' ' LYS . 12.7 tp -72.46 -23.82 61.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.907 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -84.32 -18.0 37.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.11 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.18 70.45 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.83 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' HD21 ' A' ' 77' ' ' LEU . 64.5 m -159.03 91.69 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.871 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.914 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.48 -0.248 . . . . 74.24 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.24 126.07 28.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 74.21 110.897 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 125.22 24.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.87 -176.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 55.33 110.867 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.554 ' HB3' HD12 ' A' ' 75' ' ' ILE . 31.1 t -105.65 141.36 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 74.21 110.863 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.2 OUTLIER -35.37 149.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.53 110.81 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.72 -22.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.837 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -83.34 12.09 5.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 63.52 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 79' ' ' VAL . 6.1 tt -50.36 -41.36 19.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 70.3 111.16 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.71 -44.51 97.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 63.42 112.555 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 130' ' ' LEU . 13.1 tp -62.36 -48.29 80.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.944 0.402 . . . . 54.42 110.943 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -62.12 -45.37 93.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 63.02 110.842 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 75' ' ' ILE . 46.6 t -57.94 -53.79 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 73.43 111.106 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.14 -50.25 71.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.32 110.871 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.536 ' CD1' HD23 ' A' ' 126' ' ' LEU . 22.8 t80 -50.45 -54.76 19.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 72.52 110.914 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -45.98 88.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 64.31 110.864 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.07 -41.69 71.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 73.12 110.853 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.2 mmm -71.62 -14.51 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 72.43 110.915 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.08 74.85 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.5 -15.4 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 70.03 111.197 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -80.47 -3.28 49.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.09 -0.505 . . . . 71.25 110.885 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.95 45.6 14.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 43.53 112.498 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -92.92 -20.7 20.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.854 0.359 . . . . 74.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.99 0.27 68.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 72.25 112.446 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.98 161.34 38.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.34 . . . . 63.44 110.879 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 96' ' ' GLU . 68.8 mt -123.18 148.42 45.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.32 110.879 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -93.97 152.84 18.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.145 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -36.69 -61.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 65.14 110.862 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -53.99 -44.76 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.835 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.438 ' HG2' HD22 ' A' ' 92' ' ' LEU . 37.2 tt0 -60.24 -49.15 78.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 62.4 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 113' ' ' VAL . 49.1 t -50.68 -45.51 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 73.1 111.163 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.6 m -69.29 -30.39 68.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 65.24 111.114 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.7 t -70.56 -50.09 41.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 55.31 110.841 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -65.35 -39.42 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.9 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.822 ' HB3' HG11 ' A' ' 109' ' ' VAL . 1.8 t80 -76.37 -26.4 55.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 60.12 110.828 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -28.7 25.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.03 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -56.04 -24.86 42.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 74.24 110.884 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.443 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.4 t-160 -87.72 -22.38 24.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 75.24 110.858 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -13.64 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 51.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.443 HD12 ' HB3' ' A' ' 104' ' ' HIS . 3.5 mt -80.88 130.59 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 74.31 111.086 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.24 -15.94 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 44.32 110.835 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -54.94 -26.31 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.902 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.822 HG11 ' HB3' ' A' ' 101' ' ' PHE . 7.2 p -52.26 -29.85 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.082 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.33 -44.67 87.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 63.32 111.121 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.87 -31.61 64.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 71.04 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -73.36 -44.21 59.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.912 HG21 HG21 ' A' ' 97' ' ' VAL . 7.5 p -68.74 -31.65 51.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 73.15 111.127 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -35.96 38.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 74.34 110.907 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -81.86 -22.1 37.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 42.25 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.73 -18.36 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.094 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.31 81.38 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 73.2 110.849 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.61 -28.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 65.43 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -84.06 -2.46 56.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 73.32 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.6 29.42 7.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 62.3 112.484 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.2 p30 -71.48 -21.09 61.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.791 0.329 . . . . 62.43 110.797 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 87.49 0.37 84.5 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -147.5 161.05 41.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 75.21 110.959 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.655 HG21 HG23 ' A' ' 113' ' ' VAL . 1.0 OUTLIER -119.56 125.21 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 75.24 111.153 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.611 HG22 ' HG3' ' A' ' 128' ' ' GLU . 9.0 t -83.6 -177.77 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.134 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -52.52 -48.18 66.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.906 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -53.03 -52.55 58.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 42.01 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.611 ' HG3' HG22 ' A' ' 125' ' ' THR . 8.0 mt-10 -55.83 -47.6 76.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.869 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.35 -39.9 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.889 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 77' ' ' LEU . 13.9 tp -73.39 -20.31 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.928 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.93 -18.35 40.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -109.53 69.97 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 63.24 110.861 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.28 91.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 74.42 110.921 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 51.31 110.941 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.489 -0.244 . . . . 71.05 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -69.27 125.68 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.747 0.308 . . . . 74.32 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.43 129.18 38.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 65.43 110.797 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.7 mp -61.02 178.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.43 110.871 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.638 ' HB2' HD12 ' A' ' 75' ' ' ILE . 1.1 m -105.07 141.3 36.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 55.24 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -35.38 149.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 65.23 110.856 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -44.72 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.52 110.905 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.711 ' HE3' HD22 ' A' ' 130' ' ' LEU . 2.8 pttt -83.41 11.92 6.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.885 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.638 HD12 ' HB2' ' A' ' 71' ' ' SER . 6.3 tt -50.72 -41.26 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 74.2 111.122 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.15 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.705 -0.76 . . . . 62.54 112.504 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD21 ' OG ' ' A' ' 133' ' ' SER . 2.2 tp -63.54 -52.67 60.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 72.21 110.897 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -57.43 -47.23 82.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 62.21 110.912 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 75' ' ' ILE . 37.1 t -57.23 -51.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 70.51 111.164 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -53.58 52.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.915 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -50.64 -54.92 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 65.41 110.923 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -42.79 96.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 75.14 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.62 -39.69 71.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 63.45 110.937 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -14.63 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.905 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.2 75.42 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.86 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 25.6 t -60.85 -14.24 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 65.2 111.14 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -79.23 -3.26 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.942 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.21 45.56 10.43 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 64.32 112.474 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -94.39 -21.29 19.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 42.03 110.867 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.6 68.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 73.24 112.49 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -138.65 143.35 39.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 72.31 110.962 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.8 140.26 32.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.923 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 96' ' ' GLU . 14.0 t -94.22 155.65 16.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.178 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 -57.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 53.13 110.863 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.18 -41.38 60.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 41.21 110.908 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 92' ' ' LEU . 27.8 tt0 -68.06 -37.46 81.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 71.4 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.911 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.21 -33.7 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 73.33 111.14 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.5 m -75.69 -38.72 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 54.12 111.172 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -45.96 61.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.53 110.821 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -64.77 -43.98 91.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.883 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -76.89 -23.58 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.882 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -27.64 9.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 64.02 110.862 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -54.79 -24.64 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 75.23 110.856 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -90.61 -25.57 20.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 74.35 110.844 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 97.33 -9.9 65.1 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 63.21 112.473 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG22 ' H ' ' A' ' 108' ' ' LYS . 43.4 mm -95.27 122.03 46.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.868 0.366 . . . . 75.03 111.126 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -0.99 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.876 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.568 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -56.01 -24.64 40.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 62.53 110.889 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.9 p -50.85 -29.61 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 75.5 111.155 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.71 82.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 63.4 111.098 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -72.9 -32.04 65.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 71.53 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -44.68 54.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.3 110.939 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.38 -31.49 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 62.15 111.128 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.91 -37.94 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.02 110.835 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -80.06 -21.21 43.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 61.12 110.927 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.21 -19.06 24.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 74.45 111.149 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.19 82.93 6.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.805 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.28 -18.88 60.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.04 111.027 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -83.59 -2.09 55.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.413 . . . . 74.11 110.915 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 49.63 28.71 11.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.778 -0.725 . . . . 74.31 112.502 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -68.15 -22.5 64.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 63.34 110.819 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.5 3.64 72.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 31.25 112.509 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -149.8 161.5 42.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 71.44 110.898 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.51 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -124.12 123.47 66.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 73.42 111.117 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.704 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.4 t -88.16 -176.54 5.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.504 HD12 ' H ' ' A' ' 126' ' ' LEU . 4.8 mp -48.64 -48.66 39.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.12 110.923 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.49 -54.55 45.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 64.04 110.903 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.704 ' HG3' HG22 ' A' ' 125' ' ' THR . 18.3 mt-10 -56.12 -41.75 75.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 71.15 110.869 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.99 -41.04 86.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 73.02 110.863 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.711 HD22 ' HE3' ' A' ' 74' ' ' LYS . 14.2 tp -69.58 -24.39 63.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.31 110.885 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -84.56 -17.55 38.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.888 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -111.96 70.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 63.31 110.863 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.469 ' OG ' HD21 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -158.87 91.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.859 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 75.34 110.885 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.456 -0.258 . . . . 53.5 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -80.26 125.05 29.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.808 0.337 . . . . 61.52 110.887 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -66.54 142.64 57.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.843 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.1 mp -51.61 169.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.905 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.642 ' CB ' HD13 ' A' ' 75' ' ' ILE . 37.4 m -99.98 140.61 33.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.34 110.878 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -35.0 148.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.807 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.53 -22.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 71.3 110.837 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.577 ' HD3' HD13 ' A' ' 130' ' ' LEU . 0.5 OUTLIER -83.6 10.71 8.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 72.42 110.874 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.642 HD13 ' CB ' ' A' ' 71' ' ' SER . 4.3 tp -51.38 -39.74 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 64.02 111.179 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.5 -49.59 72.34 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.78 -0.724 . . . . 74.04 112.54 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.592 HD21 ' OG ' ' A' ' 133' ' ' SER . 2.8 tp -58.54 -51.71 68.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.914 0.388 . . . . 74.33 110.882 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -45.95 80.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 70.13 110.849 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 75' ' ' ILE . 39.1 t -58.13 -51.61 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 74.33 111.154 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.39 -53.45 53.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.469 . . . . 63.14 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -51.19 -55.38 18.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.827 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -43.64 93.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 74.13 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.429 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -55.64 -40.28 71.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 64.45 110.929 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -12.57 61.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.873 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -102.18 76.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 54.52 110.914 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.5 t -61.51 -13.89 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 71.21 111.145 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -79.53 -3.29 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 74.52 110.919 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.81 45.69 9.03 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 70.11 112.431 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.48 -20.73 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 75.34 110.825 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.53 -4.26 69.51 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 73.4 112.471 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.3 OUTLIER -138.26 155.82 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.877 0.37 . . . . 62.42 110.853 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.876 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -110.43 140.14 44.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 53.41 110.919 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.492 HG23 ' H ' ' A' ' 96' ' ' GLU . 4.3 t -93.93 156.05 16.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 73.1 111.09 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' HG12 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -40.46 -57.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.877 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -51.45 -41.02 60.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 60.35 110.881 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' A' ' 92' ' ' LEU . 26.7 tt0 -68.57 -37.2 79.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.857 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.876 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -61.13 -33.21 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.114 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 79.3 m -75.11 -41.65 58.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 60.12 111.164 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -43.76 67.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 54.03 110.842 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -64.17 -45.46 88.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.925 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -76.5 -24.38 53.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.071 -0.513 . . . . 73.4 110.901 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 -27.92 13.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 70.41 110.933 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -55.36 -24.58 30.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 75.52 110.913 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.782 ' HB3' HD12 ' A' ' 106' ' ' ILE . 1.2 t-160 -89.03 -23.67 22.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 65.33 110.87 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 92.71 -3.57 74.67 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.686 -0.768 . . . . 63.2 112.463 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.782 HD12 ' HB3' ' A' ' 104' ' ' HIS . 2.3 mp -94.75 132.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 55.25 111.169 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -97.65 -7.96 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.888 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.591 ' H ' HG22 ' A' ' 106' ' ' ILE . 0.0 OUTLIER -55.11 -24.61 26.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.12 110.899 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.75 -29.39 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 71.24 111.089 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.02 74.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 74.22 111.034 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -73.1 -33.11 65.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -73.75 -44.25 56.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.944 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 97' ' ' VAL . 8.5 p -67.69 -31.61 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 74.42 111.128 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -37.63 42.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.884 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -80.66 -20.97 41.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.847 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.76 -1.36 57.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 70.12 111.125 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.59 82.68 5.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.73 -18.12 59.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 50.21 111.075 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.31 -2.51 36.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.839 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.52 27.9 6.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.55 112.471 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -67.1 -21.38 65.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.333 . . . . 73.1 110.818 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.01 3.3 74.52 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.752 . . . . 71.42 112.455 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -149.69 161.34 42.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 63.23 110.909 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.584 HG22 ' OE2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER -124.1 125.18 70.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 74.41 111.106 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 13.0 t -87.34 -176.69 5.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 74.15 111.106 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -49.07 62.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.897 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.66 -53.02 60.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.853 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.584 ' OE2' HG22 ' A' ' 124' ' ' ILE . 44.5 tt0 -54.45 -46.36 73.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -58.02 -40.95 82.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.1 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.577 HD13 ' HD3' ' A' ' 74' ' ' LYS . 9.4 tp -66.72 -24.97 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.04 110.903 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -85.2 -17.63 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 74.51 110.883 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.85 69.77 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 63.35 110.896 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.592 ' OG ' HD21 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -158.22 91.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 74.34 110.896 -179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 75.1 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.444 -0.262 . . . . 63.12 112.444 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -69.23 125.11 25.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 74.14 110.969 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -66.44 142.57 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 73.41 110.88 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -171.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 75.22 110.889 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.608 ' CB ' HD13 ' A' ' 75' ' ' ILE . 22.5 m -107.05 140.83 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.869 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -34.76 147.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 65.2 110.821 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -45.5 -23.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.87 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.435 ' HE3' HD22 ' A' ' 130' ' ' LEU . 1.3 pttt -83.79 11.51 7.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.834 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.608 HD13 ' CB ' ' A' ' 71' ' ' SER . 4.1 tp -52.25 -41.26 33.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 65.11 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.96 -50.38 66.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.676 -0.773 . . . . 64.14 112.431 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.04 -48.31 78.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.86 0.362 . . . . 71.04 110.912 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -61.51 -44.0 97.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 63.41 110.842 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 75' ' ' ILE . 39.9 t -59.68 -52.46 60.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 62.11 111.14 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.06 -53.18 60.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' HE1' HD23 ' A' ' 92' ' ' LEU . 17.8 t80 -50.75 -55.08 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.15 110.874 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.23 110.858 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -55.11 -41.74 72.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.311 -0.404 . . . . 60.42 110.971 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.5 mmt -71.72 -11.7 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.43 110.887 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -103.21 73.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.24 -16.11 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 62.15 111.145 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -80.26 -3.41 49.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 64.22 110.847 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 44.8 45.43 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.7 -0.762 . . . . 33.12 112.531 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -92.05 -22.63 19.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.835 0.35 . . . . 71.24 110.832 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.39 -3.99 70.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 52.41 112.468 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 1.2 pttp -138.35 157.21 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 71.33 110.919 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.742 HD11 HG23 ' A' ' 97' ' ' VAL . 2.0 pp -123.72 142.51 51.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 73.24 110.932 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 96' ' ' GLU . 6.1 t -92.68 156.22 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 75.14 111.126 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' THR . 0.5 OUTLIER -37.71 -54.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.911 179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.34 -44.37 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' H ' HG23 ' A' ' 93' ' ' THR . 25.1 tt0 -64.21 -40.99 97.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.14 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.742 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.76 -32.62 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.13 111.103 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.2 m -72.82 -45.14 60.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 71.34 111.187 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 t -70.35 -38.65 74.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 72.43 110.856 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -65.27 -47.8 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -25.14 54.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.843 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -28.37 17.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 63.45 110.899 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -55.86 -24.72 38.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 63.13 110.9 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.44 ' HB3' HD12 ' A' ' 106' ' ' ILE . 0.5 OUTLIER -96.53 -15.82 21.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 60.05 110.827 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.1 -5.97 75.77 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.76 -0.733 . . . . 71.35 112.449 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.44 HD12 ' HB3' ' A' ' 104' ' ' HIS . 6.3 mt -88.68 131.35 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.723 0.297 . . . . 52.14 111.16 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.82 -8.72 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 61.04 110.898 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.21 -24.77 28.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 63.22 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.64 -31.96 10.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 73.12 111.122 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.49 -47.27 86.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 70.41 111.126 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -72.52 -29.56 63.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.913 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.81 -44.93 65.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.873 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.18 -31.27 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.52 111.096 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.2 mmm -77.61 -34.18 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.53 110.88 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -84.66 -23.87 29.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.852 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.76 -18.14 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 50.52 111.117 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.08 82.27 6.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 71.32 110.882 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.5 -16.82 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 64.14 111.116 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -92.91 -2.62 55.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.89 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 47.78 29.81 6.34 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 55.32 112.483 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -73.74 -19.76 60.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.356 . . . . 54.13 110.816 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.57 2.6 75.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 73.24 112.567 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.67 157.25 46.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 62.15 110.913 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.432 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -131.54 127.88 60.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 63.2 111.152 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 8.9 t -89.9 -177.06 5.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 63.35 111.182 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -39.92 37.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 71.53 110.95 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.405 ' H ' HG23 ' A' ' 125' ' ' THR . 6.4 mm-40 -60.75 -56.51 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 71.24 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -56.82 -45.53 82.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -56.58 -38.63 72.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 65.25 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.435 HD22 ' HE3' ' A' ' 74' ' ' LYS . 14.6 tp -74.41 -20.27 60.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 60.23 110.931 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -18.81 39.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 60.52 110.971 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -109.5 70.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.834 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.0 m -158.24 91.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 74.14 110.938 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.939 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.54 -0.224 . . . . 51.42 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -69.22 161.17 29.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 73.52 110.985 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.5 121.69 15.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.852 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.02 103.61 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.002 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' ASP . 1.8 m -110.19 141.02 43.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 64.22 110.837 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 75' ' ' ILE . 1.3 m-20 -35.23 148.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 71.55 110.953 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -45.05 -23.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.811 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.629 ' CB ' HD13 ' A' ' 130' ' ' LEU . 0.3 OUTLIER -83.42 11.58 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.916 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -50.96 -34.25 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.52 111.083 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.26 -49.82 43.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 22.44 112.457 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 HD13 ' CB ' ' A' ' 133' ' ' SER . 15.3 mt -60.92 -47.01 88.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 64.23 110.93 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HD2' HD22 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -60.58 -51.86 67.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 71.55 110.959 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 75' ' ' ILE . 38.8 t -57.24 -52.23 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 72.34 111.131 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mt -55.98 -51.44 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.918 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.408 ' HD2' HD23 ' A' ' 126' ' ' LEU . 8.1 t80 -50.55 -55.37 16.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.917 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -46.73 88.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.906 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -53.79 -43.27 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 53.34 110.933 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 1.9 mmm -70.91 -17.59 62.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.83 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.2 75.32 2.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.876 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.8 p -63.41 -12.5 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 73.14 111.109 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -79.68 -3.18 46.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 55.24 110.877 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.15 45.21 10.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.683 -0.77 . . . . 74.21 112.52 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -92.57 -22.35 19.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 73.01 110.876 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.58 -3.58 67.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 42.11 112.438 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -140.97 140.77 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.773 0.32 . . . . 74.33 110.949 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.907 HD11 ' HA ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -97.31 140.01 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 96' ' ' GLU . 5.8 t -94.92 155.91 16.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 70.45 111.203 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -57.84 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 72.23 110.906 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.82 -42.72 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.858 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.614 ' HG2' HD12 ' A' ' 92' ' ' LEU . 28.6 tt0 -67.24 -36.79 82.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 62.43 110.942 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.907 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -60.33 -33.32 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 63.31 111.132 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 53.7 m -74.78 -42.59 57.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 62.03 111.144 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 m -70.46 -43.19 70.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.851 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -63.44 -46.65 85.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 64.15 110.827 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -76.32 -24.08 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -28.09 14.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 73.13 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -55.37 -24.64 30.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 74.35 110.895 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.89 -21.91 18.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 71.04 110.863 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.67 -9.1 66.36 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.769 -0.729 . . . . 74.25 112.491 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 42.4 mm -92.5 125.39 45.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.771 0.319 . . . . 73.22 111.14 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -97.69 -2.22 41.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 44.32 110.883 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -55.64 -24.82 35.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 74.34 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.04 -29.91 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 73.11 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.02 74.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 61.52 111.069 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -72.44 -31.44 65.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 62.5 110.87 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -74.37 -45.24 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 71.2 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.4 HG11 HG11 ' A' ' 97' ' ' VAL . 9.8 p -66.94 -31.65 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 70.52 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.65 -39.0 38.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.903 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -78.87 -20.9 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.987 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.75 5.2 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.1 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.83 83.32 4.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.53 -16.84 60.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 74.05 111.124 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -100.96 -2.48 31.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.861 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 48.17 28.16 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 23.43 112.493 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -67.28 -21.46 65.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.38 . . . . 75.12 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.71 0.88 82.14 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.762 -0.732 . . . . 61.21 112.456 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -147.45 161.27 41.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.847 0.355 . . . . 73.11 110.955 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.519 ' CD1' HD22 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -121.8 123.32 69.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 70.42 111.123 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.731 HG22 ' HG3' ' A' ' 128' ' ' GLU . 10.9 t -88.02 -176.11 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 74.4 111.178 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 ' HD2' ' A' ' 78' ' ' LYS . 5.7 mt -48.75 -48.63 40.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 54.01 110.907 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.81 -54.83 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.833 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.731 ' HG3' HG22 ' A' ' 125' ' ' THR . 17.9 mt-10 -56.24 -40.87 74.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.891 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.85 -40.18 87.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 64.01 110.845 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.629 HD13 ' CB ' ' A' ' 74' ' ' LYS . 12.2 tp -70.56 -24.35 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.942 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.76 -17.51 38.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.845 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -112.09 70.2 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.882 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.526 ' CB ' HD13 ' A' ' 77' ' ' LEU . 45.0 m -158.56 91.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 73.05 110.874 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 75.32 110.933 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.54 -0.224 . . . . 75.51 112.54 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.21 127.05 31.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 73.52 110.963 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.72 127.55 32.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 71.35 110.859 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 mp -59.71 177.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 54.24 110.969 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.632 ' CB ' HD13 ' A' ' 75' ' ' ILE . 36.5 m -103.42 140.99 36.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.841 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -34.9 147.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 63.55 110.862 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -45.32 -23.07 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 60.4 110.851 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.591 ' HD2' HD13 ' A' ' 130' ' ' LEU . 2.7 pttt -83.85 11.71 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 75.1 110.908 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 79' ' ' VAL . 3.9 tp -51.42 -41.62 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 74.54 111.177 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.33 -52.18 53.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.669 -0.777 . . . . 64.05 112.456 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.73 -44.34 85.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.891 0.376 . . . . 73.12 110.945 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -63.17 -42.17 99.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 75.5 110.807 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 75' ' ' ILE . 46.7 t -60.21 -54.56 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 73.43 111.102 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.51 -52.82 63.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 71.21 110.905 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.536 ' HE1' HD23 ' A' ' 92' ' ' LEU . 28.7 t80 -51.8 -54.77 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 73.22 110.893 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -47.58 84.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.955 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -54.82 -41.3 70.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 51.4 110.898 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -14.75 62.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.847 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.75 76.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 71.31 110.836 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.8 p -64.46 -12.35 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.075 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -80.03 -3.28 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.847 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.28 45.46 15.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 55.23 112.534 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -93.97 -23.67 17.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 73.41 110.873 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.1 -5.69 65.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.67 -0.776 . . . . 72.53 112.536 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 125' ' ' THR . 13.7 ptmt -139.19 154.59 48.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 62.51 110.89 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.831 HD11 HG23 ' A' ' 97' ' ' VAL . 3.2 pp -123.4 143.52 50.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 74.42 110.932 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' LYS . 8.8 t -91.23 157.41 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.34 111.16 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HZ3' HG22 ' A' ' 113' ' ' VAL . 8.7 mmtt -37.05 -53.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.902 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -52.7 -44.73 66.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 51.13 110.933 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.15 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 61.24 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.831 HG23 HD11 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -58.36 -32.53 45.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 54.31 111.137 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.1 m -73.15 -45.25 57.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 73.1 111.198 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.7 m -70.19 -37.69 75.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 65.2 110.899 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -65.92 -48.1 72.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.872 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.17 -24.86 54.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 72.34 110.894 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -28.26 16.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -55.77 -24.58 36.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.893 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.98 -16.43 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 70.41 110.911 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.91 -6.72 73.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 65.35 112.444 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 60.7 mt -90.51 131.63 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.769 0.319 . . . . 65.1 111.119 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.22 -6.51 18.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 65.55 110.911 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.9 mmpm? -55.44 -24.36 30.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 74.25 110.989 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.83 -30.3 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 73.34 111.171 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -66.59 -41.87 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.31 111.049 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -72.42 -41.57 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.894 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -64.59 -44.37 90.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 61.23 110.936 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.53 HG22 ' HZ3' ' A' ' 94' ' ' LYS . 9.6 p -68.32 -30.38 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.136 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -42.69 71.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 50.51 110.9 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.07 -20.63 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.957 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.33 -19.32 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 33.33 111.071 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.81 81.98 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.896 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.2 -21.26 58.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 50.34 111.073 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -83.65 -2.82 56.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.14 110.84 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 46.94 30.06 4.84 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.729 -0.748 . . . . 70.02 112.513 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 11.1 p30 -75.39 -18.8 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 73.41 110.844 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 76.51 2.31 74.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 73.1 112.437 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -137.56 155.72 48.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 75.14 110.935 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.415 ' O ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -132.74 129.48 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.069 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' ' 91' ' ' LYS . 7.6 t -100.16 -177.42 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 63.12 111.163 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.409 ' N ' ' OG1' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.19 -32.31 6.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.913 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.503 ' HB2' HG23 ' A' ' 125' ' ' THR . 12.6 mm-40 -58.14 -55.26 37.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 73.11 110.837 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.12 -45.8 79.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.42 110.909 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -55.14 -39.74 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 75.51 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 74' ' ' LYS . 12.7 tp -73.92 -20.26 60.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.92 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -18.37 39.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.887 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -109.27 70.0 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.913 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.7 m -158.26 91.77 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 75.12 110.876 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 44.41 110.94 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_