data_5ubs_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 5ubs _Structure_validation_residue.Date_analyzed 2017-08-18 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 ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 64.5 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -109.57 128.54 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 73.43 111.142 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -104.14 156.41 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.43 110.874 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -135.83 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 108.97 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 75.51 110.886 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.36 120.28 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.148 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.64 113.28 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 75.32 111.132 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -97.83 84.5 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 75.51 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.04 140.35 6.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 62.3 112.452 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -61.68 -27.99 69.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 75.43 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -66.7 -48.12 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.24 111.146 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 tt -132.91 128.45 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.935 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -129.52 104.64 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.924 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.68 173.34 31.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 75.42 112.466 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -160.62 131.03 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 72.23 110.903 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 p -140.32 161.67 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.23 111.114 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -161.53 143.04 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.25 111.135 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -166.48 161.93 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.3 111.124 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.89 -170.66 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.117 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.72 -34.88 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.55 111.144 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -149.92 159.07 44.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 72.04 110.805 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.86 67.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.2 111.082 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.47 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -61.34 -40.41 94.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.104 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.77 -25.01 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.42 111.126 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.13 -37.18 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -73.57 -31.61 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.7 t -80.89 -46.28 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.22 111.147 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -57.22 -24.24 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.853 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -70.98 -29.3 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.72 -21.62 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.3 -59.16 4.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.956 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -74.43 -23.21 58.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 72.22 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -51.98 -38.23 55.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.888 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.39 -32.9 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 70.33 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -72.16 -18.24 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.911 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.13 90.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 71.54 112.454 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.33 116.9 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 75.14 111.161 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.53 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.844 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.5 -148.47 13.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 55.4 112.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.9 90.96 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 74.13 110.89 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -95.34 125.97 40.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.928 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.71 156.58 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.13 111.148 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -104.76 122.06 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.928 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -78.82 96.47 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 75.02 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.34 -22.72 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.846 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 64.52 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -110.03 23.63 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.23 111.174 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.84 46.71 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -114.35 129.94 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.14 111.14 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -94.28 115.52 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.864 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 m -122.74 145.84 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.182 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.5 mt -126.34 143.07 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.126 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -129.96 102.14 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.01 111.166 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.921 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.905 0.383 . . . . 64.5 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -100.49 135.16 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 73.43 111.168 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -110.66 146.21 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.878 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -125.68 127.06 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.95 109.61 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.904 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.14 100.02 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.139 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -80.79 110.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.32 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.15 85.54 4.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.846 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.22 135.72 8.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 62.3 112.501 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -66.18 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 75.43 110.953 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -98.11 -37.92 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 75.24 111.11 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -112.89 140.48 47.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.881 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.73 107.49 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.927 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.32 135.36 12.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 75.42 112.524 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -140.14 128.85 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 72.23 110.833 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.69 155.32 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 64.23 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -152.18 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.135 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -162.76 162.27 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.147 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.62 155.24 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.45 -177.11 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.81 -52.17 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.55 111.066 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.94 -178.69 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.835 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.42 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 74.2 111.148 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.7 60.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -33.4 23.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 73.14 111.123 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.9 -31.25 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.42 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.73 -32.35 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 73.21 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -78.59 -27.02 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.914 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -84.29 -47.05 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.089 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -57.0 -24.78 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 63.35 110.875 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -62.92 -37.51 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -87.76 -21.44 25.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 65.54 110.895 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.03 -59.21 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.02 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -74.46 -23.13 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 72.22 110.925 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -51.96 -44.05 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.907 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.66 -29.53 64.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 70.33 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.37 -18.2 61.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.71 41.4 93.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 71.54 112.454 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.44 133.44 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.888 0.375 . . . . 75.14 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -110.62 134.6 52.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.847 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.14 -149.45 20.85 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.743 -0.741 . . . . 55.4 112.499 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -97.19 97.87 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 74.13 110.817 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.941 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.64 155.8 26.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -109.51 123.88 50.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 75.43 110.956 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.03 114.8 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.85 -23.14 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 64.12 110.871 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 64.52 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -114.19 23.28 13.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 73.23 111.105 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp 51.87 30.12 6.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.7 m -94.53 134.5 37.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 75.14 111.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -99.11 122.02 41.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.8 m -129.1 136.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 73.13 111.153 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.8 mt -113.4 134.82 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.093 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.42 99.86 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 72.01 111.161 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.919 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 64.5 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.6 p -91.08 140.65 29.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 73.43 111.146 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.33 141.66 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.1 113.21 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.888 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.05 113.71 24.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mm -113.56 133.24 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.11 111.094 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.99 102.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.32 111.102 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -77.26 82.71 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.872 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.16 124.58 4.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 62.3 112.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -57.12 -26.09 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 75.43 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 m -103.66 -34.79 8.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.24 111.123 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -114.8 121.72 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 75.4 110.949 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -132.72 108.57 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.956 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.59 154.76 26.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.753 -0.737 . . . . 75.42 112.498 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -143.72 132.16 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 72.23 110.853 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.4 p -136.88 137.64 39.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 64.23 111.134 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -137.08 149.02 47.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.185 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -163.29 158.3 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.3 111.175 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -77.71 143.89 37.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.9 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.94 177.97 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 73.01 111.126 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 p -96.44 -31.01 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 75.55 111.149 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -155.13 161.3 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.62 84.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.2 111.113 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.55 -28.71 37.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 71.32 111.156 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.1 m -75.89 -31.04 59.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.165 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 -26.85 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.42 111.137 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.02 -47.51 65.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -58.08 -42.31 85.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.05 -57.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.077 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.52 -26.99 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 63.35 110.864 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -64.49 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.925 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.68 -21.4 25.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.54 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -51.01 -59.21 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 73.02 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -74.48 -23.08 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.865 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -51.91 -44.57 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.23 -27.86 68.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.1 -18.27 61.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.55 95.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 71.54 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.11 117.33 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 75.14 111.146 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.79 128.62 41.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.799 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.09 -169.83 39.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.4 112.528 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -79.44 95.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 74.13 110.839 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 -99.62 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.94 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -157.57 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.13 111.112 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -108.37 124.12 49.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.942 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -72.21 115.9 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.09 -23.31 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 64.12 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.54 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 64.52 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -122.32 32.68 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 73.23 111.197 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 51.93 45.98 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -101.95 122.28 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 75.14 111.181 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.2 129.09 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -133.04 148.66 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.122 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.4 mt -128.97 115.78 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.2 111.127 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.17 105.58 17.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 72.01 111.134 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.878 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 64.5 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p -100.01 145.24 28.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.093 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.38 142.42 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -111.16 108.6 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.43 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.81 117.65 27.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.96 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mt -122.44 137.24 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.11 111.096 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.75 94.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 75.32 111.167 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -75.11 75.03 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 75.51 110.892 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.08 140.26 16.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.815 -0.707 . . . . 62.3 112.476 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -54.29 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 75.43 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -88.93 -49.25 6.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.206 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -83.55 123.97 30.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.903 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -139.66 113.34 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.851 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.53 142.71 7.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 75.42 112.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.87 142.68 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 72.23 110.952 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -140.04 -178.43 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 64.23 111.118 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -158.08 152.99 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -162.91 156.09 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.3 111.18 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -88.77 152.05 22.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.84 178.62 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.01 111.094 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -79.25 -32.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -161.2 159.97 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.819 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.08 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.137 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -23.39 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -84.92 -33.3 22.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.14 111.194 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.66 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 54.42 111.134 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.73 -32.39 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -78.24 -28.38 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -82.62 -43.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.22 111.051 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.44 -20.81 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 63.35 110.851 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -72.52 -39.56 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -21.45 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 65.54 110.92 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.83 -59.34 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 73.02 110.932 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -76.05 -23.68 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 72.22 110.886 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -51.85 -47.12 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.54 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.67 -26.17 64.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.33 110.82 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.01 -18.25 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 74.15 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.14 40.97 92.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 71.54 112.48 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -88.71 107.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 75.14 111.123 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.8 130.12 35.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.896 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.21 -161.07 33.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 55.4 112.523 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -87.16 93.24 9.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 74.13 110.915 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -96.95 125.45 41.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.905 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.09 173.72 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.11 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.8 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.938 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 123.92 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.02 110.91 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.824 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.57 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 64.52 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -129.15 36.34 4.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.087 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 54.08 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 74.11 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -102.02 118.36 36.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -82.41 118.26 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 144.84 48.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 73.13 111.165 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.2 mt -124.08 97.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 75.2 111.209 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 99.92 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.01 111.11 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.24 110.897 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.829 0.347 . . . . 64.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 p -87.84 131.67 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.169 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -104.55 146.77 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -114.06 111.18 21.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.919 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.08 114.28 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 75.51 110.898 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.2 mt -126.82 119.72 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.113 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.98 97.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.109 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -75.42 79.37 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 75.51 110.96 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.96 165.2 12.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 62.3 112.425 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -86.5 -29.51 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 75.43 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 m -111.93 -35.74 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 75.24 111.158 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -104.89 149.7 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -152.79 113.22 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.845 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.85 130.63 6.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 75.42 112.471 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -139.79 128.88 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 72.23 110.906 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.87 145.12 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 64.23 111.203 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -126.2 146.99 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.106 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -156.83 159.77 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.228 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -88.87 153.74 20.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 64.22 110.885 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.53 -173.16 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.01 111.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.56 -52.22 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 75.55 111.121 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -161.64 -178.27 6.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.101 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.26 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.184 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.0 m -71.0 -48.97 50.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 73.14 111.181 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 54.42 111.045 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -67.16 -58.64 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.24 -34.69 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 74.44 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.06 -48.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.092 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.86 -26.24 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 63.35 110.884 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -34.89 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.69 -21.41 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 65.54 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.22 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 73.02 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.68 -24.52 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.858 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.54 -27.27 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.883 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -82.15 -26.59 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.33 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -72.18 -18.22 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 41.48 33.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 71.54 112.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.84 128.84 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 75.14 111.199 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.45 125.03 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.878 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.53 -146.29 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 55.4 112.44 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -94.49 111.67 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 74.13 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -107.45 118.97 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.934 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -160.25 162.86 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -103.78 128.59 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.925 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -81.81 102.77 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.52 -21.99 66.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.12 110.826 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.52 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 p -114.33 24.18 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.103 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.8 42.55 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -112.18 111.38 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 75.14 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -72.84 113.99 10.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.8 m -126.35 120.21 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 73.13 111.147 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -93.52 133.09 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.2 111.102 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.45 99.75 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 72.24 110.883 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 64.5 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.1 p -107.0 138.69 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.171 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.79 129.19 55.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.944 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -113.58 132.61 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.41 124.56 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.9 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.02 101.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 75.11 111.181 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.6 102.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.32 111.049 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.91 78.25 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.2 164.39 22.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 62.3 112.491 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -92.24 -26.57 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 75.43 110.96 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -90.66 -42.64 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.87 149.37 40.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -156.08 128.19 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.91 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.73 -170.74 21.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.71 -0.757 . . . . 75.42 112.45 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -166.53 133.79 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 72.23 110.916 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -150.41 151.23 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.23 111.092 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -160.24 156.71 26.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.138 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -171.08 162.41 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.3 111.136 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.01 139.36 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 64.22 110.827 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.42 155.37 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 73.01 111.108 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -54.05 -39.44 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.112 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -145.63 -179.85 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -57.59 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.2 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -43.96 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.136 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.8 -38.71 61.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.194 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.89 -26.43 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 54.42 111.063 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.53 -31.39 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 73.21 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -79.77 -36.35 37.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.2 -51.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.22 111.1 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.71 -16.85 62.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 63.35 110.871 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -60.97 -41.01 95.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -87.87 -21.5 24.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.17 -59.19 4.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.868 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -74.42 -23.22 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 72.22 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.88 -30.23 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.2 -44.36 83.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 70.33 110.926 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -72.25 -18.21 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.917 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.23 40.3 95.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.54 112.508 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.02 138.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.14 111.134 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.52 125.32 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.881 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.87 -145.09 10.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 55.4 112.505 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.34 104.74 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 74.13 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -108.24 117.58 34.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.852 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.22 165.73 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.13 111.208 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -103.63 127.57 51.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 75.43 111.015 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -78.16 103.75 8.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.86 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.36 -21.81 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 64.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 64.52 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 p -113.09 22.76 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.183 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.71 47.5 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 m -118.76 112.49 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.138 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -74.93 136.96 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -154.9 127.4 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.13 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -91.82 141.29 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.078 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.17 99.8 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.01 111.206 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.881 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.859 0.361 . . . . 64.5 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -108.78 131.37 55.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.43 111.158 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.68 139.25 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.874 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -112.56 109.36 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 116.93 26.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 75.51 110.856 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.01 124.58 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.111 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.75 110.13 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.32 111.118 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -95.82 74.36 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 75.51 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.59 157.96 22.81 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 62.3 112.53 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -78.82 -26.05 44.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.867 0.365 . . . . 75.43 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 m -66.13 -49.55 67.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.24 111.217 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.36 172.08 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.927 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 111.76 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.903 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.14 -175.38 14.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 75.42 112.492 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -166.94 127.4 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 72.23 110.933 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 p -144.61 152.1 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 64.23 111.141 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -150.49 147.6 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.116 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -173.54 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -81.7 155.25 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 174.74 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.01 111.085 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 p -58.01 -39.4 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.148 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -155.58 155.89 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.04 110.857 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.43 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -25.87 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.099 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -78.0 -33.16 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.138 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.09 -25.37 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 54.42 111.105 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -66.21 -35.72 81.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.863 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -77.77 -32.81 52.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.868 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -72.9 -52.37 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.22 111.182 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.59 -26.61 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 63.35 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -36.04 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -87.79 -21.47 25.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 65.54 110.895 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -51.17 -59.18 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.02 110.915 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -74.31 -23.23 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -52.67 -32.71 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.29 -38.36 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 70.33 110.86 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -72.08 -18.29 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.894 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.0 19.52 45.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.798 -0.715 . . . . 71.54 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.88 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 75.14 111.127 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.38 124.93 47.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.856 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.58 44.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 55.4 112.509 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.5 90.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 74.13 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -89.46 126.67 35.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 75.21 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.27 167.62 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 74.13 111.178 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -109.96 118.14 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.968 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -72.27 112.16 8.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.02 110.847 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.82 -22.81 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 64.12 110.813 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.52 -71.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.52 111.138 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -115.22 24.97 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 73.23 111.114 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.86 33.35 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.93 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -98.68 137.96 36.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -93.03 129.58 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -133.83 148.32 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 73.13 111.121 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.91 106.6 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.2 111.156 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -106.61 109.94 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 72.01 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.24 110.881 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 64.5 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.2 p -100.09 130.6 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 73.43 111.2 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -104.11 156.31 17.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 75.43 110.915 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -135.31 124.57 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.811 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.27 113.0 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.883 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -119.18 102.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.119 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -83.87 112.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.32 111.16 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -87.71 100.02 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.895 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.87 167.29 27.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 62.3 112.478 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -26.37 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 75.43 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.24 -46.99 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 75.24 111.155 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 tt -100.2 146.76 26.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.93 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -158.67 120.0 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.903 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.01 137.57 9.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 75.42 112.466 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -136.82 136.78 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 72.23 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -174.61 157.77 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.23 111.116 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -158.07 140.79 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.136 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 159.92 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.138 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -90.28 155.97 18.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.878 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.94 -173.58 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.01 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -86.64 -33.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 75.55 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -149.33 163.77 36.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.907 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.29 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.96 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.32 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -77.78 -28.87 50.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.116 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.4 -29.85 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.42 111.099 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.1 -32.38 26.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.87 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -88.7 -46.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.07 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.2 -22.8 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 63.35 110.909 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -72.31 -26.49 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -87.83 -21.64 24.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 65.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.44 -59.12 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.971 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -74.36 -23.29 59.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.22 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -51.96 -40.79 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.35 -27.16 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.876 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.07 -18.21 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.933 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.05 27.61 65.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.438 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.23 126.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 75.14 111.166 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.98 125.16 45.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.77 -162.18 34.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.68 -0.772 . . . . 55.4 112.43 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.96 90.91 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.13 110.857 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -91.17 129.16 37.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.3 136.64 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 74.13 111.079 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -107.9 122.51 46.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.895 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.11 134.56 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.899 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -86.05 -26.39 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.841 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.08 69.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 64.52 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -124.47 -3.17 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 73.23 111.172 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 58.01 29.94 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -105.31 147.2 28.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 75.14 111.156 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -110.84 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.937 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -124.2 148.98 46.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.108 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.6 mt -132.11 114.06 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.2 111.075 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 99.79 11.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 72.01 111.144 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.863 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 ptp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 64.5 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 73.43 111.146 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -104.47 129.65 52.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -105.08 111.92 24.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.909 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.89 109.13 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.887 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -112.34 100.18 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.135 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.5 115.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.046 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -99.5 115.0 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.51 110.908 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.0 161.26 15.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.659 -0.781 . . . . 62.3 112.407 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -86.66 -25.99 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 75.43 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -66.27 -49.23 67.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 75.24 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -138.06 141.43 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.889 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 75.41 110.953 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.62 145.3 16.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 75.42 112.492 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -143.68 124.55 14.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 72.23 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -161.48 145.29 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 64.23 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -126.88 148.3 50.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.25 111.142 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -143.91 156.81 44.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.081 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -84.64 151.73 24.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 174.43 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.112 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.44 -34.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.55 111.136 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -148.47 177.81 9.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.854 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.41 -47.72 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.099 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.48 91.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 71.32 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -32.51 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.14 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.47 -30.99 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 54.42 111.148 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -77.17 -43.62 33.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.908 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -57.26 -26.74 61.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.918 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.92 -57.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.152 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.27 -23.88 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 63.35 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -68.31 -31.89 71.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 74.45 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.94 -21.57 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 65.54 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -59.19 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.937 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -72.61 -23.21 60.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -59.51 -52.93 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.57 -24.41 67.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 70.33 110.863 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.22 -18.19 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.909 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.71 35.23 46.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.749 . . . . 71.54 112.498 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.2 mt -91.39 117.3 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 75.14 111.039 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.35 130.5 49.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.32 110.865 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.91 -160.01 33.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 55.4 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -90.5 91.61 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 74.13 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -91.2 127.48 36.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -161.36 169.06 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -111.14 134.46 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.924 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.36 135.41 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.885 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.67 -21.02 60.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 64.52 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.37 35.74 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 73.23 111.197 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 53.71 46.29 26.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.885 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -97.11 120.04 36.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 75.14 111.126 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -79.24 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -126.36 148.47 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.17 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.86 98.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 75.2 111.135 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.4 102.86 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 72.01 111.147 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.868 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 64.5 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.6 p -94.43 138.44 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.43 111.117 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -111.23 145.07 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -126.49 123.17 37.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.42 111.13 23.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.911 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -109.57 99.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.109 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.94 109.69 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.32 111.09 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -89.24 86.84 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.21 158.04 21.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 62.3 112.483 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -84.03 -28.5 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 75.43 110.937 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 m -106.61 -27.35 10.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.099 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -119.3 149.02 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -159.87 112.04 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.837 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.83 134.73 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 75.42 112.485 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -142.18 123.88 15.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 72.23 110.888 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -160.8 144.56 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.23 111.164 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -137.82 151.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 74.25 111.156 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -171.34 160.49 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.49 154.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 64.22 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.47 -175.46 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 73.01 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.33 -52.17 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.55 111.105 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -156.86 -176.25 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.23 -32.71 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.086 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.91 -22.8 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.32 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -84.07 -31.56 25.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.14 111.157 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.5 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 54.42 111.125 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.96 -32.37 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.3 53.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -88.58 -41.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.173 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.82 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.15 79.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -87.8 -21.51 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.54 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -51.24 -59.1 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.914 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -74.49 -23.02 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 72.22 110.885 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -51.99 -38.25 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.859 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -65.37 -32.87 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 70.33 110.922 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.09 -18.25 61.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.64 32.94 83.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 71.54 112.539 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.4 107.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 75.14 111.146 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.23 126.14 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.846 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.1 -153.13 23.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 55.4 112.537 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -94.37 90.89 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 74.13 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -91.92 127.21 37.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.21 110.958 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.99 140.48 13.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.13 111.179 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -112.68 115.94 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.983 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.03 132.83 42.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.846 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -87.87 -26.51 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.36 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 64.52 111.158 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -122.12 -6.01 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.452 . . . . 73.23 111.163 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt 63.34 29.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.896 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -106.28 140.85 38.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.14 111.135 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -105.14 121.85 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.33 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 m -126.67 153.88 44.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 73.13 111.15 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.63 144.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.098 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 99.85 4.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 72.01 111.174 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.888 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 64.5 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -109.57 128.54 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 73.43 111.142 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -104.14 156.41 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.43 110.874 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -135.83 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.31 108.97 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 75.51 110.886 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.36 120.28 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.148 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.64 113.28 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 75.32 111.132 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -97.83 84.5 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 75.51 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.04 140.35 6.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 62.3 112.452 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -61.68 -27.99 69.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 75.43 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -66.7 -48.12 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.24 111.146 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 tt -132.91 128.45 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.935 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -129.52 104.64 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.924 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.68 173.34 31.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 75.42 112.466 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -160.62 131.03 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 72.23 110.903 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 p -140.32 161.67 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.23 111.114 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.4 m -161.53 143.04 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.25 111.135 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -166.48 161.93 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.3 111.124 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -130.89 -170.66 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.117 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -75.72 -34.88 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.55 111.144 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -149.92 159.07 44.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 72.04 110.805 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.83 -51.86 67.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.2 111.082 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.47 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 86.6 m -61.34 -40.41 94.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 73.14 111.104 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.77 -25.01 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.42 111.126 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.13 -37.18 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -73.57 -31.61 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 74.44 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.7 t -80.89 -46.28 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.22 111.147 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -57.22 -24.24 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.853 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -70.98 -29.3 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.72 -21.62 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -51.3 -59.16 4.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.956 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -74.43 -23.21 58.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 72.22 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -51.98 -38.23 55.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.888 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.39 -32.9 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 70.33 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -72.16 -18.24 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.15 110.911 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.13 90.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 71.54 112.454 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.33 116.9 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 75.14 111.161 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.53 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.844 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.5 -148.47 13.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 55.4 112.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.9 90.96 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 74.13 110.89 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -95.34 125.97 40.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.928 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.71 156.58 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.13 111.148 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -104.76 122.06 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.928 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -78.82 96.47 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 75.02 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.34 -22.72 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 64.12 110.846 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 64.52 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -110.03 23.63 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 73.23 111.174 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.84 46.71 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.2 m -114.35 129.94 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.14 111.14 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -94.28 115.52 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.864 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 m -122.74 145.84 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.182 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.5 mt -126.34 143.07 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.126 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -129.96 102.14 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.01 111.166 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.921 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.905 0.383 . . . . 64.5 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -100.49 135.16 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 73.43 111.168 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -110.66 146.21 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.878 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -125.68 127.06 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mp -98.95 109.61 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 75.51 110.904 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.14 100.02 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.11 111.139 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -80.79 110.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.32 111.13 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.15 85.54 4.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 75.51 110.846 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.22 135.72 8.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 62.3 112.501 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -66.18 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 75.43 110.953 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -98.11 -37.92 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 75.24 111.11 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -112.89 140.48 47.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 75.4 110.881 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.73 107.49 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 75.41 110.927 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.32 135.36 12.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 75.42 112.524 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -140.14 128.85 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 72.23 110.833 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.69 155.32 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 64.23 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 m -152.18 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.135 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -162.76 162.27 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.3 111.147 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.62 155.24 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.45 -177.11 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.119 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.81 -52.17 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 75.55 111.066 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.94 -178.69 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.04 110.835 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.42 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 74.2 111.148 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.7 60.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.74 -33.4 23.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 73.14 111.123 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.9 -31.25 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.42 111.136 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.73 -32.35 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 73.21 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -78.59 -27.02 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.914 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -84.29 -47.05 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 75.22 111.089 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -57.0 -24.78 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 63.35 110.875 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -62.92 -37.51 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.45 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -87.76 -21.44 25.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 65.54 110.895 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.03 -59.21 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 73.02 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -74.46 -23.13 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 72.22 110.925 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -51.96 -44.05 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 74.54 110.907 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.66 -29.53 64.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 70.33 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.37 -18.2 61.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.15 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.71 41.4 93.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 71.54 112.454 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.44 133.44 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.888 0.375 . . . . 75.14 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -110.62 134.6 52.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.32 110.847 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.14 -149.45 20.85 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.743 -0.741 . . . . 55.4 112.499 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -97.19 97.87 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 74.13 110.817 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.941 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.64 155.8 26.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -109.51 123.88 50.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 75.43 110.956 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.03 114.8 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 75.02 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.85 -23.14 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 64.12 110.871 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 64.52 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -114.19 23.28 13.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 73.23 111.105 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp 51.87 30.12 6.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.906 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.7 m -94.53 134.5 37.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 75.14 111.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -99.11 122.02 41.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.8 m -129.1 136.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 73.13 111.153 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 75.8 mt -113.4 134.82 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.093 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.42 99.86 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 72.01 111.161 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 72.24 110.919 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 64.5 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.6 p -91.08 140.65 29.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 73.43 111.146 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.33 141.66 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -119.1 113.21 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.888 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.05 113.71 24.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 75.51 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mm -113.56 133.24 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.11 111.094 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.99 102.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.32 111.102 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -77.26 82.71 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.872 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.16 124.58 4.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 62.3 112.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -57.12 -26.09 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 75.43 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 m -103.66 -34.79 8.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.24 111.123 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -114.8 121.72 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 75.4 110.949 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -132.72 108.57 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.956 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.59 154.76 26.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.753 -0.737 . . . . 75.42 112.498 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -143.72 132.16 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 72.23 110.853 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.4 p -136.88 137.64 39.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 64.23 111.134 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -137.08 149.02 47.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.185 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -163.29 158.3 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.3 111.175 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -77.71 143.89 37.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.9 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.94 177.97 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 73.01 111.126 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 p -96.44 -31.01 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 75.55 111.149 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -155.13 161.3 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.62 84.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.2 111.113 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.55 -28.71 37.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 71.32 111.156 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.1 m -75.89 -31.04 59.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.14 111.165 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.15 -26.85 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.42 111.137 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.02 -47.51 65.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -58.08 -42.31 85.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.05 -57.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 75.22 111.077 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.52 -26.99 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 63.35 110.864 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -64.49 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.925 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.68 -21.4 25.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.54 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -51.01 -59.21 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 73.02 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -74.48 -23.08 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.865 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -51.91 -44.57 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.23 -27.86 68.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.33 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.1 -18.27 61.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.55 95.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 71.54 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.11 117.33 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 75.14 111.146 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.79 128.62 41.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.32 110.799 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.09 -169.83 39.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.4 112.528 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -79.44 95.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 74.13 110.839 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 -99.62 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.21 110.94 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -157.57 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.13 111.112 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -108.37 124.12 49.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.942 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -72.21 115.9 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.02 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.09 -23.31 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 64.12 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.54 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 64.52 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -122.32 32.68 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 73.23 111.197 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 51.93 45.98 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -101.95 122.28 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 75.14 111.181 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.2 129.09 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -133.04 148.66 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 73.13 111.122 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.4 mt -128.97 115.78 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.2 111.127 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.17 105.58 17.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 72.01 111.134 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.878 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 64.5 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p -100.01 145.24 28.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 73.43 111.093 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.38 142.42 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -111.16 108.6 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.43 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.81 117.65 27.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.51 110.96 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mt -122.44 137.24 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.11 111.096 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -112.75 94.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 75.32 111.167 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -75.11 75.03 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 75.51 110.892 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.08 140.26 16.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.815 -0.707 . . . . 62.3 112.476 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -54.29 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 75.43 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -88.93 -49.25 6.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.24 111.206 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -83.55 123.97 30.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.903 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -139.66 113.34 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.41 110.851 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.53 142.71 7.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 75.42 112.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.87 142.68 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 72.23 110.952 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -140.04 -178.43 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 64.23 111.118 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -158.08 152.99 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -162.91 156.09 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.3 111.18 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -88.77 152.05 22.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.952 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.84 178.62 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.01 111.094 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.2 m -79.25 -32.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -161.2 159.97 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.819 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.08 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.2 111.137 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -23.39 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 71.32 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.6 m -84.92 -33.3 22.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.14 111.194 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.84 -30.66 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 54.42 111.134 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.73 -32.39 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -78.24 -28.38 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.4 t -82.62 -43.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 75.22 111.051 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.44 -20.81 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 63.35 110.851 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -72.52 -39.56 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -21.45 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 65.54 110.92 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -52.83 -59.34 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 73.02 110.932 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -76.05 -23.68 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 72.22 110.886 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -51.85 -47.12 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.54 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.67 -26.17 64.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.33 110.82 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.01 -18.25 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 74.15 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.14 40.97 92.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 71.54 112.48 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.6 mt -88.71 107.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 75.14 111.123 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.8 130.12 35.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.896 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.21 -161.07 33.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 55.4 112.523 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -87.16 93.24 9.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 74.13 110.915 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -96.95 125.45 41.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.905 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.09 173.72 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.13 111.11 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.8 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.938 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 123.92 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.02 110.91 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 64.12 110.824 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.57 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 64.52 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -129.15 36.34 4.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.087 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 54.08 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 74.11 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -102.02 118.36 36.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.14 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -82.41 118.26 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 144.84 48.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 73.13 111.165 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 77.2 mt -124.08 97.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 75.2 111.209 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 99.92 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 72.01 111.11 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.24 110.897 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.829 0.347 . . . . 64.5 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 p -87.84 131.67 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.169 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -104.55 146.77 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 75.43 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -114.06 111.18 21.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.919 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.08 114.28 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 75.51 110.898 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.2 mt -126.82 119.72 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.113 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.98 97.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.32 111.109 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -75.42 79.37 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 75.51 110.96 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.96 165.2 12.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 62.3 112.425 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -86.5 -29.51 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 75.43 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 m -111.93 -35.74 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 75.24 111.158 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 tt -104.89 149.7 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -152.79 113.22 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.845 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.85 130.63 6.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 75.42 112.471 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -139.79 128.88 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 72.23 110.906 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.87 145.12 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 64.23 111.203 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -126.2 146.99 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.106 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -156.83 159.77 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.228 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -88.87 153.74 20.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 64.22 110.885 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.53 -173.16 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.01 111.092 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.56 -52.22 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 75.55 111.121 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -161.64 -178.27 6.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.04 110.878 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.101 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.26 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.184 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.0 m -71.0 -48.97 50.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 73.14 111.181 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 54.42 111.045 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -67.16 -58.64 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.24 -34.69 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 74.44 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.6 t -71.06 -48.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 75.22 111.092 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.86 -26.24 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 63.35 110.884 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -34.89 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.69 -21.41 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 65.54 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.22 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 73.02 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -73.68 -24.52 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 72.22 110.858 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.54 -27.27 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.883 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -82.15 -26.59 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.33 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -72.18 -18.22 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.15 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 41.48 33.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 71.54 112.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.84 128.84 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 75.14 111.199 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.45 125.03 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.32 110.878 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.53 -146.29 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 55.4 112.44 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -94.49 111.67 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 74.13 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -107.45 118.97 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.934 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -160.25 162.86 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -103.78 128.59 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.925 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -81.81 102.77 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.02 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.52 -21.99 66.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.12 110.826 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 64.52 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 p -114.33 24.18 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.23 111.103 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.8 42.55 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.11 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.7 m -112.18 111.38 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 75.14 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -72.84 113.99 10.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 75.33 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.8 m -126.35 120.21 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 73.13 111.147 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 54.4 mt -93.52 133.09 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.2 111.102 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.45 99.75 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 72.24 110.883 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 64.5 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.1 p -107.0 138.69 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.43 111.171 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.79 129.19 55.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.944 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -113.58 132.61 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.43 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -106.41 124.56 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 75.51 110.9 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 74.5 mt -127.02 101.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 75.11 111.181 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 mp -72.6 102.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.32 111.049 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.91 78.25 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 75.51 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.2 164.39 22.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 62.3 112.491 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -92.24 -26.57 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 75.43 110.96 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -90.66 -42.64 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 75.24 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -117.87 149.37 40.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.909 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -156.08 128.19 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.91 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.73 -170.74 21.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.71 -0.757 . . . . 75.42 112.45 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -166.53 133.79 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 72.23 110.916 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -150.41 151.23 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 64.23 111.092 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -160.24 156.71 26.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.138 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 t -171.08 162.41 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.3 111.136 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -91.01 139.36 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 64.22 110.827 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.42 155.37 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 73.01 111.108 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -54.05 -39.44 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.112 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -145.63 -179.85 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -57.59 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.2 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -43.96 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.136 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -52.8 -38.71 61.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.194 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.89 -26.43 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 54.42 111.063 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.53 -31.39 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 73.21 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -79.77 -36.35 37.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 74.44 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -73.2 -51.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.22 111.1 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -63.71 -16.85 62.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 63.35 110.871 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -60.97 -41.01 95.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -87.87 -21.5 24.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 65.54 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.17 -59.19 4.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.868 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -74.42 -23.22 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 72.22 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.88 -30.23 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.885 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.2 -44.36 83.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 70.33 110.926 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -72.25 -18.21 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.917 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.23 40.3 95.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.54 112.508 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.9 mm -65.02 138.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 75.14 111.134 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.52 125.32 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.32 110.881 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.87 -145.09 10.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 55.4 112.505 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.34 104.74 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 74.13 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.9 p-90 -108.24 117.58 34.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.852 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -161.22 165.73 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.13 111.208 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -103.63 127.57 51.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 75.43 111.015 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -78.16 103.75 8.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.86 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.36 -21.81 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 64.12 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 64.52 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 p -113.09 22.76 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.23 111.183 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.71 47.5 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 m -118.76 112.49 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.14 111.138 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -74.93 136.96 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.33 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -154.9 127.4 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.13 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -91.82 141.29 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.078 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.17 99.8 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.01 111.206 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.881 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.859 0.361 . . . . 64.5 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -108.78 131.37 55.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.43 111.158 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -104.68 139.25 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.874 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -112.56 109.36 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 74.43 110.878 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 116.93 26.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 75.51 110.856 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.6 mt -127.01 124.58 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.11 111.111 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.75 110.13 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.32 111.118 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -95.82 74.36 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 75.51 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.59 157.96 22.81 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 62.3 112.53 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -78.82 -26.05 44.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.867 0.365 . . . . 75.43 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 m -66.13 -49.55 67.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.24 111.217 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -147.36 172.08 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.927 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 111.76 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.903 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.14 -175.38 14.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 75.42 112.492 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -166.94 127.4 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 72.23 110.933 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 p -144.61 152.1 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 64.23 111.141 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -150.49 147.6 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.116 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -173.54 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -81.7 155.25 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 64.22 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.33 174.74 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.01 111.085 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.4 p -58.01 -39.4 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.148 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -155.58 155.89 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.04 110.857 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.43 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.2 111.078 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -25.87 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.099 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.6 m -78.0 -33.16 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.138 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.09 -25.37 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 54.42 111.105 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -66.21 -35.72 81.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.21 110.863 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -77.77 -32.81 52.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.868 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.9 t -72.9 -52.37 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 75.22 111.182 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.59 -26.61 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 63.35 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -36.04 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 74.45 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -87.79 -21.47 25.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 65.54 110.895 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -51.17 -59.18 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 73.02 110.915 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -74.31 -23.23 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -52.67 -32.71 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.29 -38.36 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 70.33 110.86 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -72.08 -18.29 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.894 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.0 19.52 45.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.798 -0.715 . . . . 71.54 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.88 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 75.14 111.127 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.38 124.93 47.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.32 110.856 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.58 44.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 55.4 112.509 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.5 90.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 74.13 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 -89.46 126.67 35.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 75.21 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.27 167.62 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 74.13 111.178 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -109.96 118.14 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.968 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -72.27 112.16 8.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.02 110.847 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.82 -22.81 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 64.12 110.813 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.52 -71.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 64.52 111.138 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -115.22 24.97 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 73.23 111.114 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.86 33.35 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.93 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -98.68 137.96 36.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -93.03 129.58 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -133.83 148.32 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 73.13 111.121 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.91 106.6 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.2 111.156 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -106.61 109.94 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 72.01 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.24 110.881 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 64.5 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.2 p -100.09 130.6 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 73.43 111.2 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -104.11 156.31 17.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 75.43 110.915 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -135.31 124.57 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 74.43 110.811 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -94.27 113.0 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 75.51 110.883 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 47.6 mm -119.18 102.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.119 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.4 mp -83.87 112.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.32 111.16 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -87.71 100.02 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 75.51 110.895 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.87 167.29 27.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 62.3 112.478 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -26.37 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 75.43 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.24 -46.99 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 75.24 111.155 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 tt -100.2 146.76 26.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.93 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -158.67 120.0 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.903 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.01 137.57 9.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 75.42 112.466 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -136.82 136.78 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 72.23 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -174.61 157.77 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 64.23 111.116 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.9 m -158.07 140.79 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.136 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 159.92 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.138 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -90.28 155.97 18.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 64.22 110.878 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.94 -173.58 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.01 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -86.64 -33.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 75.55 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -149.33 163.77 36.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.907 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.29 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.09 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.96 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.32 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.4 m -77.78 -28.87 50.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.116 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.4 -29.85 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.42 111.099 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.1 -32.38 26.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.87 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.9 t -88.7 -46.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.07 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -60.2 -22.8 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 63.35 110.909 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -72.31 -26.49 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.45 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -87.83 -21.64 24.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 65.54 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.44 -59.12 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 73.02 110.971 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -74.36 -23.29 59.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.22 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -51.96 -40.79 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.35 -27.16 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 70.33 110.876 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.07 -18.21 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.933 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.05 27.61 65.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.438 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.23 126.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 75.14 111.166 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.98 125.16 45.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.77 -162.18 34.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.68 -0.772 . . . . 55.4 112.43 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.96 90.91 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.13 110.857 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -91.17 129.16 37.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.915 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.3 136.64 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 74.13 111.079 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -107.9 122.51 46.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.895 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.11 134.56 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.899 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -86.05 -26.39 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.841 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.08 69.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 64.52 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -124.47 -3.17 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 73.23 111.172 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 58.01 29.94 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.11 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -105.31 147.2 28.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 75.14 111.156 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -110.84 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.33 110.937 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -124.2 148.98 46.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.13 111.108 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.6 mt -132.11 114.06 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.2 111.075 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 99.79 11.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 72.01 111.144 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.863 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.0 ptp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 64.5 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.3 p -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 73.43 111.146 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -104.47 129.65 52.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -105.08 111.92 24.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.909 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.89 109.13 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.887 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -112.34 100.18 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.135 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.5 115.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 75.32 111.046 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -99.5 115.0 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 75.51 110.908 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.0 161.26 15.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.659 -0.781 . . . . 62.3 112.407 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -86.66 -25.99 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 75.43 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -66.27 -49.23 67.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 75.24 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 tt -138.06 141.43 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.889 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 75.41 110.953 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.62 145.3 16.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 75.42 112.492 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -143.68 124.55 14.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 72.23 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -161.48 145.29 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 64.23 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -126.88 148.3 50.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.25 111.142 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -143.91 156.81 44.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.3 111.081 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -84.64 151.73 24.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.918 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.5 174.43 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.01 111.112 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.44 -34.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.55 111.136 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -148.47 177.81 9.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.854 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.41 -47.72 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.099 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.48 91.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 71.32 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -32.51 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.14 111.14 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.47 -30.99 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 54.42 111.148 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -77.17 -43.62 33.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.908 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -57.26 -26.74 61.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.918 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.5 t -87.92 -57.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.152 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.27 -23.88 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 63.35 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -68.31 -31.89 71.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 74.45 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.94 -21.57 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 65.54 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -59.19 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.937 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -72.61 -23.21 60.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -59.51 -52.93 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.57 -24.41 67.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 70.33 110.863 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.22 -18.19 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 74.15 110.909 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.71 35.23 46.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.749 . . . . 71.54 112.498 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.2 mt -91.39 117.3 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 75.14 111.039 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.35 130.5 49.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.32 110.865 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.91 -160.01 33.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 55.4 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -90.5 91.61 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 74.13 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -91.2 127.48 36.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -161.36 169.06 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 74.13 111.083 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -111.14 134.46 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.924 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.36 135.41 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.885 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.67 -21.02 60.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 64.52 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.37 35.74 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 73.23 111.197 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 53.71 46.29 26.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.11 110.885 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -97.11 120.04 36.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 75.14 111.126 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -79.24 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -126.36 148.47 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.17 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.86 98.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 75.2 111.135 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.4 102.86 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 72.01 111.147 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.868 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 64.5 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.6 p -94.43 138.44 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 73.43 111.117 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -111.23 145.07 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -126.49 123.17 37.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.866 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.42 111.13 23.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.911 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.6 mt -109.57 99.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.109 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.0 mp -84.94 109.69 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.32 111.09 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -89.24 86.84 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 75.51 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.21 158.04 21.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 62.3 112.483 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -84.03 -28.5 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 75.43 110.937 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 m -106.61 -27.35 10.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 75.24 111.099 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -119.3 149.02 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.869 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -159.87 112.04 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.837 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.83 134.73 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 75.42 112.485 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -142.18 123.88 15.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 72.23 110.888 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -160.8 144.56 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.23 111.164 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -137.82 151.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 74.25 111.156 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -171.34 160.49 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -83.49 154.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 64.22 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.47 -175.46 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 73.01 111.066 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.33 -52.17 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.55 111.105 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -156.86 -176.25 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.856 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.23 -32.71 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.086 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.91 -22.8 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.32 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -84.07 -31.56 25.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.14 111.157 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.5 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 54.42 111.125 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.96 -32.37 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.3 53.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -88.58 -41.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.22 111.173 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.82 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.15 79.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.45 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -87.8 -21.51 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.54 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -51.24 -59.1 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 73.02 110.914 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -74.49 -23.02 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 72.22 110.885 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -51.99 -38.25 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.54 110.859 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -65.37 -32.87 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 70.33 110.922 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.09 -18.25 61.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 74.15 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.64 32.94 83.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 71.54 112.539 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.4 107.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 75.14 111.146 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.23 126.14 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.846 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.1 -153.13 23.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 55.4 112.537 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -94.37 90.89 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 74.13 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -91.92 127.21 37.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.21 110.958 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.99 140.48 13.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.13 111.179 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -112.68 115.94 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.983 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.03 132.83 42.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 75.02 110.846 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -87.87 -26.51 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 64.12 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.36 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 64.52 111.158 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -122.12 -6.01 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.452 . . . . 73.23 111.163 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt 63.34 29.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.896 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -106.28 140.85 38.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.14 111.135 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -105.14 121.85 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.33 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 m -126.67 153.88 44.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 73.13 111.15 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.63 144.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.098 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 99.85 4.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 72.01 111.174 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.888 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.796 ' HG3' ' HB2' ' A' ' 23' ' ' ALA . 4.9 mmt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 19' ' ' GLU . 31.9 p -109.57 128.54 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 65.010000000000005 111.142 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 17' ' ' THR . 22.3 m-85 -104.14 156.41 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 64.040000000000006 110.874 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 51' ' ' THR . 24.3 ttmt -135.83 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -101.31 108.97 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.349999999999994 110.886 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.36 120.28 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 111.148 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.64 113.28 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 111.132 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -97.83 84.5 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.04 140.35 6.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 55.130000000000003 112.452 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -61.68 -27.99 69.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 45.119999999999997 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -66.7 -48.12 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 111.146 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 13' ' ' LYS . 4.7 tt -132.91 128.45 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.935 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.456 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 mmmp? -129.52 104.64 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.010000000000005 110.924 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.68 173.34 31.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.466 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -160.62 131.03 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 72.230000000000004 110.903 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 p -140.32 161.67 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.229999999999997 111.114 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.4 m -161.53 143.04 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.25 111.135 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -166.48 161.93 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 111.124 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HG22 ' A' ' 2' ' ' THR . 54.5 tt0 -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.877 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.731 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -130.89 -170.66 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.010000000000005 111.117 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 25' ' ' THR . 27.7 m -75.72 -34.88 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.144 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -149.92 159.07 44.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 72.040000000000006 110.805 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -60.83 -51.86 67.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 21.140000000000001 111.082 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.47 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.559 HG21 ' CG2' ' A' ' 21' ' ' VAL . 86.6 m -61.34 -40.41 94.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.104 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.731 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.77 -25.01 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.420000000000002 111.126 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.13 -37.18 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -73.57 -31.61 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 74.129999999999995 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -80.89 -46.28 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 111.147 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 5' ' ' LEU . 4.8 m-85 -57.22 -24.24 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.853 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -70.98 -29.3 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.450000000000003 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.72 -21.62 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 65.450000000000003 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.2 m-85 -51.3 -59.16 4.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 63.240000000000002 110.956 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -74.43 -23.21 58.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 72.209999999999994 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -51.98 -38.23 55.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 73.450000000000003 110.888 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.39 -32.9 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 70.329999999999998 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -72.16 -18.24 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 70.239999999999995 110.911 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.13 90.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 71.030000000000001 112.454 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.33 116.9 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 60.340000000000003 111.161 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.53 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.844 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.5 -148.47 13.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 55.399999999999999 112.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.9 90.96 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 110.89 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -95.34 125.97 40.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.928 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.71 156.58 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 111.148 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -104.76 122.06 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.928 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -78.82 96.47 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 75.019999999999996 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.34 -22.72 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 64.120000000000005 110.846 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 54.350000000000001 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -110.03 23.63 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 72.25 111.174 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.84 46.71 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.446 HG23 ' HB3' ' A' ' 4' ' ' LYS . 25.2 m -114.35 129.94 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.140000000000001 111.14 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 54' ' ' ILE . 52.1 t80 -94.28 115.52 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 m -122.74 145.84 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 65.420000000000002 111.182 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 52' ' ' PHE . 79.5 mt -126.34 143.07 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -129.96 102.14 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.329999999999998 111.166 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.239999999999995 110.921 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.905 0.383 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -100.49 135.16 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 65.010000000000005 111.168 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 17' ' ' THR . 8.8 m-85 -110.66 146.21 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 64.040000000000006 110.878 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -125.68 127.06 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 61.109999999999999 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 30' ' ' PHE . 2.3 mp -98.95 109.61 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 71.349999999999994 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.14 100.02 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.109999999999999 111.139 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.1 mp -80.79 110.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.319999999999993 111.13 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.15 85.54 4.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.846 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.22 135.72 8.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 55.130000000000003 112.501 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -66.18 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 45.119999999999997 110.953 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -98.11 -37.92 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 111.11 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 12' ' ' LEU . 10.0 tt -112.89 140.48 47.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.530000000000001 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.73 107.49 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.927 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.32 135.36 12.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 75.420000000000002 112.524 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -140.14 128.85 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 72.230000000000004 110.833 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.69 155.32 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 52.229999999999997 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.3 m -152.18 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.135 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -162.76 162.27 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.147 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.62 155.24 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.45 -177.11 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 111.119 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.81 -52.17 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.310000000000002 111.066 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.94 -178.69 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.835 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.42 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 21.140000000000001 111.148 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.7 60.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 52.32 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -84.74 -33.4 23.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 111.123 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.9 -31.25 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.420000000000002 111.136 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.73 -32.35 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 73.040000000000006 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -78.59 -27.02 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.914 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -84.29 -47.05 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.510000000000005 111.089 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 5' ' ' LEU . 5.0 m-85 -57.0 -24.78 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 54.200000000000003 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -62.92 -37.51 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -87.76 -21.44 25.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 65.450000000000003 110.895 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.03 -59.21 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 63.240000000000002 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -74.46 -23.13 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 72.209999999999994 110.925 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -51.96 -44.05 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 73.450000000000003 110.907 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.66 -29.53 64.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.37 -18.2 61.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 70.239999999999995 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.71 41.4 93.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.454 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.44 133.44 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.888 0.375 . . . . 60.340000000000003 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -110.62 134.6 52.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.847 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.14 -149.45 20.85 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.743 -0.741 . . . . 55.399999999999999 112.499 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -97.19 97.87 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 74.129999999999995 110.817 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.64 155.8 26.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 111.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -109.51 123.88 50.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 71.140000000000001 110.956 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.03 114.8 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 75.019999999999996 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.85 -23.14 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 64.120000000000005 110.871 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -114.19 23.28 13.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 72.25 111.105 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp 51.87 30.12 6.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 110.906 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.7 m -94.53 134.5 37.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 75.140000000000001 111.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 54' ' ' ILE . 72.7 t80 -99.11 122.02 41.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.329999999999998 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.8 m -129.1 136.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 65.420000000000002 111.153 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 52' ' ' PHE . 75.8 mt -113.4 134.82 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.093 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.42 99.86 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 63.329999999999998 111.161 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.919 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 64.150000000000006 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 19' ' ' GLU . 27.6 p -91.08 140.65 29.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 65.010000000000005 111.146 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.33 141.66 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 64.040000000000006 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HB3' HG23 ' A' ' 51' ' ' THR . 23.6 ttpt -119.1 113.21 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 61.109999999999999 110.888 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.05 113.71 24.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.349999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mm -113.56 133.24 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 111.094 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.702 HG21 HD22 ' A' ' 12' ' ' LEU . 5.2 mp -110.99 102.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.319999999999993 111.102 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -77.26 82.71 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 64.129999999999995 110.872 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.16 124.58 4.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 55.130000000000003 112.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -57.12 -26.09 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 45.119999999999997 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 m -103.66 -34.79 8.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 111.123 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 7' ' ' ILE . 9.5 tt -114.8 121.72 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.949 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -132.72 108.57 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 73.010000000000005 110.956 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.59 154.76 26.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.753 -0.737 . . . . 75.420000000000002 112.498 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -143.72 132.16 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 72.230000000000004 110.853 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.4 p -136.88 137.64 39.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 52.229999999999997 111.134 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -137.08 149.02 47.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.185 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -163.29 158.3 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.299999999999997 111.175 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 2' ' ' THR . 17.7 mp0 -77.71 143.89 37.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -125.94 177.97 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.126 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 ' CG1' HG21 ' A' ' 25' ' ' THR . 10.4 p -96.44 -31.01 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 63.310000000000002 111.149 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -155.13 161.3 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.040000000000006 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.62 84.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 21.140000000000001 111.113 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.55 -28.71 37.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 52.32 111.156 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 HG21 ' CG1' ' A' ' 21' ' ' VAL . 85.1 m -75.89 -31.04 59.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 111.165 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.15 -26.85 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.420000000000002 111.137 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.02 -47.51 65.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -58.08 -42.31 85.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.05 -57.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 111.077 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.52 -26.99 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 54.200000000000003 110.864 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -64.49 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.450000000000003 110.925 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.68 -21.4 25.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.450000000000003 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -51.01 -59.21 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CG ' HD11 ' A' ' 54' ' ' ILE . 25.2 p90 -74.48 -23.08 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.209999999999994 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -51.91 -44.57 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.23 -27.86 68.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.329999999999998 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -18.27 61.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.239999999999995 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.55 95.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 71.030000000000001 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 7' ' ' ILE . 65.5 mt -90.11 117.33 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 60.340000000000003 111.146 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.79 128.62 41.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.319999999999993 110.799 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.09 -169.83 39.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.528 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -79.44 95.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 74.129999999999995 110.839 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 44' ' ' THR . 62.8 p-90 -99.62 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.94 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -157.57 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 111.112 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -108.37 124.12 49.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.140000000000001 110.942 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -72.21 115.9 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.09 -23.31 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 64.120000000000005 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.54 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 54.350000000000001 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -122.32 32.68 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.25 111.197 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 51.93 45.98 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.109999999999999 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.7 m -101.95 122.28 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 75.140000000000001 111.181 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.2 129.09 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 75.329999999999998 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -133.04 148.66 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 65.420000000000002 111.122 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.427 HD11 ' CG ' ' A' ' 34' ' ' PHE . 72.4 mt -128.97 115.78 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 111.127 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.17 105.58 17.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.329999999999998 111.134 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.239999999999995 110.878 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.735 HG22 ' HA ' ' A' ' 19' ' ' GLU . 29.9 p -100.01 145.24 28.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 65.010000000000005 111.093 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.38 142.42 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.040000000000006 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -111.16 108.6 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 61.109999999999999 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.81 117.65 27.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.349999999999994 110.96 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mt -122.44 137.24 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 111.096 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.701 HG21 HD22 ' A' ' 12' ' ' LEU . 5.1 mp -112.75 94.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 75.319999999999993 111.167 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -75.11 75.03 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 64.129999999999995 110.892 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.08 140.26 16.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.815 -0.707 . . . . 55.130000000000003 112.476 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -54.29 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 45.119999999999997 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -88.93 -49.25 6.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 111.206 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 7' ' ' ILE . 8.6 tt -83.55 123.97 30.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -139.66 113.34 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.010000000000005 110.851 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.53 142.71 7.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 75.420000000000002 112.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.87 142.68 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 72.230000000000004 110.952 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -140.04 -178.43 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 52.229999999999997 111.118 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -158.08 152.99 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -162.91 156.09 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 111.18 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HG22 ' A' ' 2' ' ' THR . 5.7 tm-20 -88.77 152.05 22.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 110.952 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -135.84 178.62 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 111.094 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG22 HG21 ' A' ' 25' ' ' THR . 33.2 m -79.25 -32.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.144 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -161.2 159.97 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.819 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.08 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 21.140000000000001 111.137 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -23.39 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 52.32 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.6 m -84.92 -33.3 22.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.140000000000001 111.194 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.605 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.84 -30.66 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 54.420000000000002 111.134 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.73 -32.39 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -78.24 -28.38 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -82.62 -43.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 111.051 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.44 -20.81 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 54.200000000000003 110.851 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -72.52 -39.56 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.450000000000003 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.99 -21.45 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 65.450000000000003 110.92 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.3 m-85 -52.83 -59.34 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 63.240000000000002 110.932 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.571 ' HB2' HD12 ' A' ' 39' ' ' ILE . 19.9 p90 -76.05 -23.68 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 72.209999999999994 110.886 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -51.85 -47.12 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.450000000000003 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.67 -26.17 64.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.329999999999998 110.82 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.01 -18.25 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 70.239999999999995 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.14 40.97 92.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 71.030000000000001 112.48 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' HB2' ' A' ' 34' ' ' PHE . 57.6 mt -88.71 107.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 60.340000000000003 111.123 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.8 130.12 35.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 71.319999999999993 110.896 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.21 -161.07 33.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 55.399999999999999 112.523 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -87.16 93.24 9.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 74.129999999999995 110.915 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . 65.3 p-90 -96.95 125.45 41.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.09 173.72 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.11 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.8 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.140000000000001 110.938 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 123.92 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.019999999999996 110.91 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.824 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.57 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 54.350000000000001 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -129.15 36.34 4.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 72.25 111.087 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 54.08 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 74.109999999999999 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -102.02 118.36 36.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.140000000000001 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -82.41 118.26 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 144.84 48.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 65.420000000000002 111.165 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.552 HG21 HG22 ' A' ' 39' ' ' ILE . 77.2 mt -124.08 97.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 111.209 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 99.92 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.11 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 110.897 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.829 0.347 . . . . 64.150000000000006 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 p -87.84 131.67 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 65.010000000000005 111.169 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -104.55 146.77 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.040000000000006 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.649 ' HB3' HG23 ' A' ' 51' ' ' THR . 21.1 ttmm -114.06 111.18 21.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 61.109999999999999 110.919 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.08 114.28 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 71.349999999999994 110.898 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.524 HD11 ' HD3' ' A' ' 4' ' ' LYS . 32.2 mt -126.82 119.72 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.113 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.98 97.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.109 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -75.42 79.37 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.129999999999995 110.96 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.96 165.2 12.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 55.130000000000003 112.425 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -86.5 -29.51 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 m -111.93 -35.74 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.158 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 13' ' ' LYS . 9.9 tt -104.89 149.7 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.477 ' N ' HD23 ' A' ' 12' ' ' LEU . 9.5 tptm -152.79 113.22 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.85 130.63 6.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 75.420000000000002 112.471 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG2' HG23 ' A' ' 6' ' ' ILE . 26.4 mt-10 -139.79 128.88 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 72.230000000000004 110.906 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.87 145.12 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 52.229999999999997 111.203 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -126.2 146.99 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.106 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -156.83 159.77 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 73.299999999999997 111.228 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -88.87 153.74 20.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 63.340000000000003 110.885 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.53 -173.16 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 111.092 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.56 -52.22 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.310000000000002 111.121 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 3.9 p-10 -161.64 -178.27 6.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 21.140000000000001 111.101 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' A' ' 22' ' ' ASP . . . -75.24 -42.26 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.184 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.0 m -71.0 -48.97 50.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 111.181 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 54.420000000000002 111.045 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -67.16 -58.64 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.040000000000006 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.24 -34.69 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 74.129999999999995 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 25' ' ' THR . 91.6 t -71.06 -48.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 73.510000000000005 111.092 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.86 -26.24 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 54.200000000000003 110.884 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -34.89 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.450000000000003 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.69 -21.41 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 65.450000000000003 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.22 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 63.240000000000002 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' A' ' 54' ' ' ILE . 18.9 p90 -73.68 -24.52 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 72.209999999999994 110.858 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.54 -27.27 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.883 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -82.15 -26.59 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.329999999999998 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -72.18 -18.22 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 41.48 33.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.84 128.84 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 60.340000000000003 111.199 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.45 125.03 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.878 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.53 -146.29 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 55.399999999999999 112.44 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -94.49 111.67 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 74.129999999999995 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -107.45 118.97 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.934 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -160.25 162.86 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -103.78 128.59 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.925 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -81.81 102.77 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.019999999999996 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.52 -21.99 66.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.826 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 54.350000000000001 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 p -114.33 24.18 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.103 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.8 42.55 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 4' ' ' LYS . 92.7 m -112.18 111.38 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 75.140000000000001 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -72.84 113.99 10.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 75.329999999999998 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.8 m -126.35 120.21 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 65.420000000000002 111.147 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 34' ' ' PHE . 54.4 mt -93.52 133.09 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 111.102 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.45 99.75 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 63.329999999999998 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 72.239999999999995 110.883 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 19' ' ' GLU . 26.1 p -107.0 138.69 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.010000000000005 111.171 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.79 129.19 55.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 64.040000000000006 110.944 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -113.58 132.61 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.109999999999999 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 30' ' ' PHE . 10.0 mp -106.41 124.56 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.349999999999994 110.9 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' THR . 74.5 mt -127.02 101.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 75.109999999999999 111.181 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.503 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.3 mp -72.6 102.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 111.049 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.91 78.25 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.129999999999995 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.2 164.39 22.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 55.130000000000003 112.491 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -92.24 -26.57 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 45.119999999999997 110.96 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -90.66 -42.64 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.768 HD13 HD11 ' A' ' 39' ' ' ILE . 8.7 tt -117.87 149.37 40.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 74.530000000000001 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.583 ' N ' HD23 ' A' ' 12' ' ' LEU . 12.9 tptp -156.08 128.19 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.91 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.73 -170.74 21.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.71 -0.757 . . . . 75.420000000000002 112.45 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -166.53 133.79 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 72.230000000000004 110.916 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -150.41 151.23 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 52.229999999999997 111.092 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -160.24 156.71 26.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.138 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.727 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.7 t -171.08 162.41 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 111.136 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' A' ' 2' ' ' THR . 23.2 tt0 -91.01 139.36 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 110.827 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -133.42 155.37 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 73.010000000000005 111.108 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.3 p -54.05 -39.44 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.112 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -145.63 -179.85 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.040000000000006 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -57.59 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 21.140000000000001 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -43.96 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 52.32 111.136 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -52.8 -38.71 61.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 73.140000000000001 111.194 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.89 -26.43 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 54.420000000000002 111.063 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.53 -31.39 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 73.040000000000006 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -79.77 -36.35 37.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -73.2 -51.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.1 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CZ ' HG22 ' A' ' 18' ' ' THR . 11.6 m-85 -63.71 -16.85 62.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 54.200000000000003 110.871 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -60.97 -41.01 95.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.450000000000003 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -87.87 -21.5 24.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 65.450000000000003 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.496 ' CE1' HG12 ' A' ' 29' ' ' VAL . 2.5 m-85 -51.17 -59.19 4.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.868 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -74.42 -23.22 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.88 -30.23 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.450000000000003 110.885 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.2 -44.36 83.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 110.926 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -72.25 -18.21 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.917 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.23 40.3 95.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.030000000000001 112.508 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HD13 ' A' ' 12' ' ' LEU . 51.9 mm -65.02 138.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 60.340000000000003 111.134 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.52 125.32 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.319999999999993 110.881 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.87 -145.09 10.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 55.399999999999999 112.505 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.34 104.74 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 74.129999999999995 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 44' ' ' THR . 43.9 p-90 -108.24 117.58 34.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 75.209999999999994 110.852 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -161.22 165.73 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.208 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -103.63 127.57 51.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 111.015 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -78.16 103.75 8.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.86 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.36 -21.81 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 54.350000000000001 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 p -113.09 22.76 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.25 111.183 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.71 47.5 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 m -118.76 112.49 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 111.138 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -74.93 136.96 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 6' ' ' ILE . 30.8 m -154.9 127.4 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 111.13 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -91.82 141.29 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.078 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.17 99.8 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 63.329999999999998 111.206 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 110.881 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.859 0.361 . . . . 64.150000000000006 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -108.78 131.37 55.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.010000000000005 111.158 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 17' ' ' THR . 6.1 m-85 -104.68 139.25 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 64.040000000000006 110.874 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.607 ' HD3' HD11 ' A' ' 6' ' ' ILE . 18.0 ttmm -112.56 109.36 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 61.109999999999999 110.878 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 116.93 26.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 71.349999999999994 110.856 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 4' ' ' LYS . 57.6 mt -127.01 124.58 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.111 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.75 110.13 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.118 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -95.82 74.36 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 64.129999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.59 157.96 22.81 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 55.130000000000003 112.53 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -78.82 -26.05 44.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.867 0.365 . . . . 45.119999999999997 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 m -66.13 -49.55 67.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 111.217 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 13' ' ' LYS . 2.4 pp -147.36 172.08 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.54 111.76 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.903 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.14 -175.38 14.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 75.420000000000002 112.492 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -166.94 127.4 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 72.230000000000004 110.933 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 p -144.61 152.1 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 52.229999999999997 111.141 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PHE . 2.4 m -150.49 147.6 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.116 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -173.54 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -81.7 155.25 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 63.340000000000003 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.33 174.74 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 111.085 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.4 p -58.01 -39.4 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.310000000000002 111.148 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -155.58 155.89 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.040000000000006 110.857 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.43 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 21.140000000000001 111.078 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -25.87 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.099 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 21' ' ' VAL . 51.6 m -78.0 -33.16 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 111.138 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.09 -25.37 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 54.420000000000002 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -66.21 -35.72 81.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.863 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -77.77 -32.81 52.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.868 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 25' ' ' THR . 57.9 t -72.9 -52.37 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.510000000000005 111.182 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.59 -26.61 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 54.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -36.04 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -87.79 -21.47 25.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 65.450000000000003 110.895 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE1' HG12 ' A' ' 29' ' ' VAL . 1.5 m-85 -51.17 -59.18 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 63.240000000000002 110.915 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -74.31 -23.23 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -52.67 -32.71 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 73.450000000000003 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.29 -38.36 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 70.329999999999998 110.86 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -72.08 -18.29 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 70.239999999999995 110.894 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.0 19.52 45.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.798 -0.715 . . . . 71.030000000000001 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.88 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 60.340000000000003 111.127 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.38 124.93 47.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 110.856 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.58 44.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.509 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.5 90.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 74.129999999999995 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 44' ' ' THR . 68.9 p-90 -89.46 126.67 35.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 75.209999999999994 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.27 167.62 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 74.129999999999995 111.178 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -109.96 118.14 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 110.968 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -72.27 112.16 8.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.019999999999996 110.847 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.82 -22.81 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 64.120000000000005 110.813 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.52 -71.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.138 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -115.22 24.97 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 72.25 111.114 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.86 33.35 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.93 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.9 m -98.68 137.96 36.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -93.03 129.58 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.329999999999998 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -133.83 148.32 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 111.121 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.91 106.6 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.200000000000003 111.156 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -106.61 109.94 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 63.329999999999998 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.239999999999995 110.881 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 64.150000000000006 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 19' ' ' GLU . 80.2 p -100.09 130.6 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 65.010000000000005 111.2 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 17' ' ' THR . 20.3 m-85 -104.11 156.31 17.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 64.040000000000006 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HD3' HD11 ' A' ' 6' ' ' ILE . 2.9 ttmp? -135.31 124.57 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 61.109999999999999 110.811 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.0 mp -94.27 113.0 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 71.349999999999994 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.687 HD11 ' HD3' ' A' ' 4' ' ' LYS . 47.6 mm -119.18 102.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.119 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.739 HG21 HD22 ' A' ' 12' ' ' LEU . 5.4 mp -83.87 112.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.16 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -87.71 100.02 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 64.129999999999995 110.895 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.87 167.29 27.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 55.130000000000003 112.478 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -26.37 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 45.119999999999997 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.24 -46.99 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 75.239999999999995 111.155 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.739 HD22 HG21 ' A' ' 7' ' ' ILE . 10.4 tt -100.2 146.76 26.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.93 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -158.67 120.0 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.903 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.01 137.57 9.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 75.420000000000002 112.466 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -136.82 136.78 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 72.230000000000004 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -174.61 157.77 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 52.229999999999997 111.116 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 3' ' ' PHE . 4.9 m -158.07 140.79 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.136 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 159.92 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 111.138 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' THR . 21.2 tt0 -90.28 155.97 18.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.94 -173.58 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.010000000000005 111.113 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -86.64 -33.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 63.310000000000002 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -149.33 163.77 36.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 72.040000000000006 110.907 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.29 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 21.140000000000001 111.09 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.96 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 52.32 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 53.4 m -77.78 -28.87 50.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 111.116 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.4 -29.85 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.420000000000002 111.099 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.1 -32.38 26.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 73.040000000000006 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.87 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' THR . 84.9 t -88.7 -46.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 73.510000000000005 111.07 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 5' ' ' LEU . 5.3 m-85 -60.2 -22.8 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 54.200000000000003 110.909 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -72.31 -26.49 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -87.83 -21.64 24.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 65.450000000000003 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.44 -59.12 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 63.240000000000002 110.971 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -74.36 -23.29 59.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.209999999999994 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -51.96 -40.79 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.450000000000003 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.35 -27.16 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 110.876 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.07 -18.21 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.239999999999995 110.933 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.05 27.61 65.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 71.030000000000001 112.438 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.23 126.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 60.340000000000003 111.166 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.98 125.16 45.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.77 -162.18 34.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.68 -0.772 . . . . 55.399999999999999 112.43 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.96 90.91 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.129999999999995 110.857 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' O ' HG23 ' A' ' 44' ' ' THR . 69.7 p-90 -91.17 129.16 37.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 75.209999999999994 110.915 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -160.3 136.64 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 111.079 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -107.9 122.51 46.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.895 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.11 134.56 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.019999999999996 110.899 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -86.05 -26.39 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.841 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.08 69.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -124.47 -3.17 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.25 111.172 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 58.01 29.94 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -105.31 147.2 28.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.156 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 54' ' ' ILE . 29.0 t80 -110.84 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.937 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -124.2 148.98 46.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 111.108 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.605 HD11 ' CE2' ' A' ' 52' ' ' PHE . 62.6 mt -132.11 114.06 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 111.075 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 99.79 11.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 63.329999999999998 111.144 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.863 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 23' ' ' ALA . 14.0 ptp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 64.150000000000006 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 19' ' ' GLU . 23.3 p -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.010000000000005 111.146 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -104.47 129.65 52.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 64.040000000000006 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -105.08 111.92 24.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 61.109999999999999 110.909 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -88.89 109.13 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 71.349999999999994 110.887 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -112.34 100.18 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 111.135 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 12' ' ' LEU . 7.2 mt -74.5 115.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 111.046 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -99.5 115.0 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.908 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.0 161.26 15.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.659 -0.781 . . . . 55.130000000000003 112.407 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -86.66 -25.99 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 45.119999999999997 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -66.27 -49.23 67.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 75.239999999999995 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' ILE . 8.9 tt -138.06 141.43 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.010000000000005 110.953 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.62 145.3 16.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.492 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -143.68 124.55 14.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 72.230000000000004 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -161.48 145.29 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 52.229999999999997 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -126.88 148.3 50.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.25 111.142 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.8 t -143.91 156.81 44.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.081 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.733 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.2 tp10 -84.64 151.73 24.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 63.340000000000003 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.675 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -142.5 174.43 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 111.112 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.44 -34.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.310000000000002 111.136 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -148.47 177.81 9.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 72.040000000000006 110.854 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . -72.41 -47.72 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 21.140000000000001 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.48 91.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 52.32 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -64.49 -32.51 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 111.14 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.47 -30.99 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 54.420000000000002 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -77.17 -43.62 33.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.908 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -57.26 -26.74 61.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.918 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' THR . 67.5 t -87.92 -57.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.152 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.633 ' HD1' HD12 ' A' ' 5' ' ' LEU . 3.4 m-85 -57.27 -23.88 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 54.200000000000003 110.904 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -68.31 -31.89 71.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 74.450000000000003 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.94 -21.57 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 65.450000000000003 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -59.19 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.937 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -72.61 -23.21 60.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -59.51 -52.93 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.450000000000003 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.57 -24.41 67.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 70.329999999999998 110.863 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 110.909 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.71 35.23 46.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.749 . . . . 71.030000000000001 112.498 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.2 mt -91.39 117.3 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 60.340000000000003 111.039 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.35 130.5 49.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.319999999999993 110.865 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.91 -160.01 33.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 55.399999999999999 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -90.5 91.61 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 74.129999999999995 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' THR . 67.2 p-90 -91.2 127.48 36.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 75.209999999999994 110.925 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -161.36 169.06 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 74.129999999999995 111.083 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -111.14 134.46 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.140000000000001 110.924 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.36 135.41 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.885 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.67 -21.02 60.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 64.120000000000005 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 54.350000000000001 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.37 35.74 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 72.25 111.197 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 53.71 46.29 26.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.109999999999999 110.885 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -97.11 120.04 36.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.126 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -79.24 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -126.36 148.47 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 111.17 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.86 98.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 111.135 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.4 102.86 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 63.329999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.868 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 19' ' ' GLU . 44.6 p -94.43 138.44 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 65.010000000000005 111.117 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -111.23 145.07 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 6' ' ' ILE . 26.9 ttpt -126.49 123.17 37.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 61.109999999999999 110.866 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.587 HD11 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -96.42 111.13 23.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.349999999999994 110.911 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 4' ' ' LYS . 34.6 mt -109.57 99.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 111.109 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 12' ' ' LEU . 5.0 mp -84.94 109.69 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 111.09 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -89.24 86.84 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.21 158.04 21.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 55.130000000000003 112.483 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -84.03 -28.5 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 45.119999999999997 110.937 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 m -106.61 -27.35 10.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 111.099 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 7' ' ' ILE . 9.2 tt -119.3 149.02 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.869 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -159.87 112.04 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 110.837 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.83 134.73 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.485 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -142.18 123.88 15.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 72.230000000000004 110.888 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -160.8 144.56 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 52.229999999999997 111.164 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -137.82 151.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 74.25 111.156 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -171.34 160.49 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.299999999999997 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.701 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.1 tm-20 -83.49 154.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.919 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -138.47 -175.46 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 73.010000000000005 111.066 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.33 -52.17 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 111.105 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -156.86 -176.25 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.040000000000006 110.856 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.23 -32.71 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 21.140000000000001 111.086 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.91 -22.8 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 52.32 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.6 m -84.07 -31.56 25.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 111.157 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.16 -23.5 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 54.420000000000002 111.125 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.96 -32.37 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 73.040000000000006 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.3 53.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.129999999999995 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' THR . 95.9 t -88.58 -41.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.173 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD11 ' A' ' 5' ' ' LEU . 4.0 m-85 -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.82 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.15 79.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -87.8 -21.51 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -51.24 -59.1 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.240000000000002 110.914 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -74.49 -23.02 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 72.209999999999994 110.885 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -51.99 -38.25 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.859 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -65.37 -32.87 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 70.329999999999998 110.922 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.09 -18.25 61.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 70.239999999999995 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.64 32.94 83.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 71.030000000000001 112.539 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.4 107.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 60.340000000000003 111.146 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.23 126.14 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.846 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.1 -153.13 23.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 55.399999999999999 112.537 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -94.37 90.89 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 74.129999999999995 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 44' ' ' THR . 67.5 p-90 -91.92 127.21 37.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 110.958 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -158.99 140.48 13.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 111.179 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -112.68 115.94 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 110.983 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.03 132.83 42.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 75.019999999999996 110.846 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -87.87 -26.51 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.36 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 54.350000000000001 111.158 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -122.12 -6.01 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.452 . . . . 72.25 111.163 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt 63.34 29.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.896 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -106.28 140.85 38.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.135 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -105.14 121.85 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.329999999999998 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 m -126.67 153.88 44.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 65.420000000000002 111.15 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.63 144.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 111.098 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 99.85 4.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 111.174 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.239999999999995 110.888 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.796 ' HG3' ' HB2' ' A' ' 23' ' ' ALA . 4.9 mmt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 19' ' ' GLU . 31.9 p -109.57 128.54 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 65.010000000000005 111.142 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 17' ' ' THR . 22.3 m-85 -104.14 156.41 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 64.040000000000006 110.874 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 51' ' ' THR . 24.3 ttmt -135.83 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -101.31 108.97 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.349999999999994 110.886 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.36 120.28 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 111.148 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.64 113.28 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 111.132 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -97.83 84.5 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.04 140.35 6.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 55.130000000000003 112.452 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -61.68 -27.99 69.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 45.119999999999997 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -66.7 -48.12 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 111.146 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 13' ' ' LYS . 4.7 tt -132.91 128.45 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.935 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 mmmp? -129.52 104.64 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.010000000000005 110.924 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.68 173.34 31.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.466 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -160.62 131.03 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 72.230000000000004 110.903 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 p -140.32 161.67 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.229999999999997 111.114 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.4 m -161.53 143.04 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.25 111.135 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -166.48 161.93 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 111.124 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HG22 ' A' ' 2' ' ' THR . 54.5 tt0 -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.877 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.731 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -130.89 -170.66 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.010000000000005 111.117 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 25' ' ' THR . 27.7 m -75.72 -34.88 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.144 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -149.92 159.07 44.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 72.040000000000006 110.805 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -60.83 -51.86 67.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 21.140000000000001 111.082 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.47 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.559 HG21 ' CG2' ' A' ' 21' ' ' VAL . 86.6 m -61.34 -40.41 94.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.104 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.731 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.77 -25.01 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.420000000000002 111.126 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.13 -37.18 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -73.57 -31.61 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 74.129999999999995 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -80.89 -46.28 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 111.147 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 5' ' ' LEU . 4.8 m-85 -57.22 -24.24 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.853 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -70.98 -29.3 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.450000000000003 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.72 -21.62 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 65.450000000000003 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.2 m-85 -51.3 -59.16 4.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 63.240000000000002 110.956 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -74.43 -23.21 58.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 72.209999999999994 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -51.98 -38.23 55.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 73.450000000000003 110.888 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.39 -32.9 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 70.329999999999998 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -72.16 -18.24 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 70.239999999999995 110.911 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.13 90.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 71.030000000000001 112.454 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.33 116.9 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 60.340000000000003 111.161 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.53 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.844 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.5 -148.47 13.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 55.399999999999999 112.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.9 90.96 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 110.89 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -95.34 125.97 40.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.928 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.71 156.58 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 111.148 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -104.76 122.06 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.928 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -78.82 96.47 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 75.019999999999996 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.34 -22.72 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 64.120000000000005 110.846 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 54.350000000000001 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -110.03 23.63 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 72.25 111.174 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.84 46.71 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.446 HG23 ' HB3' ' A' ' 4' ' ' LYS . 25.2 m -114.35 129.94 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.140000000000001 111.14 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 54' ' ' ILE . 52.1 t80 -94.28 115.52 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 m -122.74 145.84 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 65.420000000000002 111.182 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 52' ' ' PHE . 79.5 mt -126.34 143.07 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -129.96 102.14 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.329999999999998 111.166 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.239999999999995 110.921 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.905 0.383 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -100.49 135.16 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 65.010000000000005 111.168 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 17' ' ' THR . 8.8 m-85 -110.66 146.21 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 64.040000000000006 110.878 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -125.68 127.06 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 61.109999999999999 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 30' ' ' PHE . 2.3 mp -98.95 109.61 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 71.349999999999994 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.14 100.02 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.109999999999999 111.139 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.1 mp -80.79 110.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.319999999999993 111.13 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.15 85.54 4.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.846 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.22 135.72 8.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 55.130000000000003 112.501 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -66.18 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 45.119999999999997 110.953 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -98.11 -37.92 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 111.11 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 12' ' ' LEU . 10.0 tt -112.89 140.48 47.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.530000000000001 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.73 107.49 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.927 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.32 135.36 12.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 75.420000000000002 112.524 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -140.14 128.85 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 72.230000000000004 110.833 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.69 155.32 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 52.229999999999997 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.3 m -152.18 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.135 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -162.76 162.27 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.147 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.62 155.24 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.45 -177.11 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 111.119 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.81 -52.17 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.310000000000002 111.066 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.94 -178.69 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.835 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.42 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 21.140000000000001 111.148 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.7 60.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 52.32 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -84.74 -33.4 23.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 111.123 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.9 -31.25 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.420000000000002 111.136 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.73 -32.35 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 73.040000000000006 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -78.59 -27.02 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.914 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -84.29 -47.05 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.510000000000005 111.089 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 5' ' ' LEU . 5.0 m-85 -57.0 -24.78 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 54.200000000000003 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -62.92 -37.51 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -87.76 -21.44 25.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 65.450000000000003 110.895 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.03 -59.21 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 63.240000000000002 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -74.46 -23.13 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 72.209999999999994 110.925 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -51.96 -44.05 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 73.450000000000003 110.907 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.66 -29.53 64.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.37 -18.2 61.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 70.239999999999995 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.71 41.4 93.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.454 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.44 133.44 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.888 0.375 . . . . 60.340000000000003 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -110.62 134.6 52.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.847 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.14 -149.45 20.85 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.743 -0.741 . . . . 55.399999999999999 112.499 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -97.19 97.87 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 74.129999999999995 110.817 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.64 155.8 26.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 111.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -109.51 123.88 50.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 71.140000000000001 110.956 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.03 114.8 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 75.019999999999996 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.85 -23.14 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 64.120000000000005 110.871 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -114.19 23.28 13.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 72.25 111.105 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp 51.87 30.12 6.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 110.906 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.7 m -94.53 134.5 37.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 75.140000000000001 111.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 54' ' ' ILE . 72.7 t80 -99.11 122.02 41.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.329999999999998 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.8 m -129.1 136.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 65.420000000000002 111.153 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 52' ' ' PHE . 75.8 mt -113.4 134.82 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.093 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.42 99.86 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 63.329999999999998 111.161 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.919 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 64.150000000000006 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 19' ' ' GLU . 27.6 p -91.08 140.65 29.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 65.010000000000005 111.146 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.33 141.66 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 64.040000000000006 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HB3' HG23 ' A' ' 51' ' ' THR . 23.6 ttpt -119.1 113.21 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 61.109999999999999 110.888 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.05 113.71 24.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.349999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mm -113.56 133.24 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 111.094 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.702 HG21 HD22 ' A' ' 12' ' ' LEU . 5.2 mp -110.99 102.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.319999999999993 111.102 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -77.26 82.71 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 64.129999999999995 110.872 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.16 124.58 4.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 55.130000000000003 112.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -57.12 -26.09 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 45.119999999999997 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 m -103.66 -34.79 8.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 111.123 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 7' ' ' ILE . 9.5 tt -114.8 121.72 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.949 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -132.72 108.57 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 73.010000000000005 110.956 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.59 154.76 26.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.753 -0.737 . . . . 75.420000000000002 112.498 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -143.72 132.16 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 72.230000000000004 110.853 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.4 p -136.88 137.64 39.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 52.229999999999997 111.134 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -137.08 149.02 47.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.185 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -163.29 158.3 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.299999999999997 111.175 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 2' ' ' THR . 17.7 mp0 -77.71 143.89 37.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -125.94 177.97 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.126 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 ' CG1' HG21 ' A' ' 25' ' ' THR . 10.4 p -96.44 -31.01 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 63.310000000000002 111.149 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -155.13 161.3 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.040000000000006 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.62 84.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 21.140000000000001 111.113 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.55 -28.71 37.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 52.32 111.156 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 HG21 ' CG1' ' A' ' 21' ' ' VAL . 85.1 m -75.89 -31.04 59.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 111.165 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.15 -26.85 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.420000000000002 111.137 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.02 -47.51 65.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -58.08 -42.31 85.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.05 -57.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 111.077 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.52 -26.99 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 54.200000000000003 110.864 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -64.49 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.450000000000003 110.925 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.68 -21.4 25.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.450000000000003 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -51.01 -59.21 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CG ' HD11 ' A' ' 54' ' ' ILE . 25.2 p90 -74.48 -23.08 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.209999999999994 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -51.91 -44.57 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.23 -27.86 68.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.329999999999998 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -18.27 61.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.239999999999995 110.9 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.55 95.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 71.030000000000001 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 7' ' ' ILE . 65.5 mt -90.11 117.33 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 60.340000000000003 111.146 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.79 128.62 41.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.319999999999993 110.799 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.09 -169.83 39.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.528 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -79.44 95.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 74.129999999999995 110.839 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 44' ' ' THR . 62.8 p-90 -99.62 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.94 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -157.57 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 111.112 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -108.37 124.12 49.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.140000000000001 110.942 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -72.21 115.9 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.09 -23.31 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 64.120000000000005 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.54 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 54.350000000000001 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -122.32 32.68 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.25 111.197 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 51.93 45.98 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.109999999999999 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.7 m -101.95 122.28 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 75.140000000000001 111.181 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.2 129.09 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 75.329999999999998 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -133.04 148.66 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 65.420000000000002 111.122 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.427 HD11 ' CG ' ' A' ' 34' ' ' PHE . 72.4 mt -128.97 115.78 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 111.127 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.17 105.58 17.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.329999999999998 111.134 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.239999999999995 110.878 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.735 HG22 ' HA ' ' A' ' 19' ' ' GLU . 29.9 p -100.01 145.24 28.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 65.010000000000005 111.093 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.38 142.42 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.040000000000006 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -111.16 108.6 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 61.109999999999999 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.81 117.65 27.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.349999999999994 110.96 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mt -122.44 137.24 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 111.096 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.701 HG21 HD22 ' A' ' 12' ' ' LEU . 5.1 mp -112.75 94.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 75.319999999999993 111.167 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -75.11 75.03 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 64.129999999999995 110.892 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.08 140.26 16.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.815 -0.707 . . . . 55.130000000000003 112.476 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -54.29 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 45.119999999999997 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -88.93 -49.25 6.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 111.206 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 7' ' ' ILE . 8.6 tt -83.55 123.97 30.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -139.66 113.34 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.010000000000005 110.851 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.53 142.71 7.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 75.420000000000002 112.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.87 142.68 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 72.230000000000004 110.952 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -140.04 -178.43 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 52.229999999999997 111.118 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -158.08 152.99 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -162.91 156.09 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 111.18 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HG22 ' A' ' 2' ' ' THR . 5.7 tm-20 -88.77 152.05 22.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 110.952 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -135.84 178.62 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 111.094 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG22 HG21 ' A' ' 25' ' ' THR . 33.2 m -79.25 -32.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.144 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -161.2 159.97 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.819 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.08 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 21.140000000000001 111.137 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -23.39 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 52.32 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.6 m -84.92 -33.3 22.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.140000000000001 111.194 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.605 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.84 -30.66 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 54.420000000000002 111.134 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.73 -32.39 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -78.24 -28.38 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -82.62 -43.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 111.051 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.44 -20.81 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 54.200000000000003 110.851 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -72.52 -39.56 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.450000000000003 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.99 -21.45 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 65.450000000000003 110.92 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.3 m-85 -52.83 -59.34 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 63.240000000000002 110.932 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.571 ' HB2' HD12 ' A' ' 39' ' ' ILE . 19.9 p90 -76.05 -23.68 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 72.209999999999994 110.886 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -51.85 -47.12 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.450000000000003 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.67 -26.17 64.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.329999999999998 110.82 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.01 -18.25 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 70.239999999999995 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.14 40.97 92.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 71.030000000000001 112.48 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' HB2' ' A' ' 34' ' ' PHE . 57.6 mt -88.71 107.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 60.340000000000003 111.123 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.8 130.12 35.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 71.319999999999993 110.896 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.21 -161.07 33.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 55.399999999999999 112.523 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -87.16 93.24 9.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 74.129999999999995 110.915 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . 65.3 p-90 -96.95 125.45 41.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.09 173.72 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.11 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.8 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.140000000000001 110.938 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 123.92 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.019999999999996 110.91 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.824 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.57 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 54.350000000000001 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -129.15 36.34 4.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 72.25 111.087 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 54.08 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 74.109999999999999 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -102.02 118.36 36.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.140000000000001 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -82.41 118.26 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 144.84 48.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 65.420000000000002 111.165 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.552 HG21 HG22 ' A' ' 39' ' ' ILE . 77.2 mt -124.08 97.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 111.209 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 99.92 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.11 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 110.897 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.829 0.347 . . . . 64.150000000000006 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 p -87.84 131.67 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 65.010000000000005 111.169 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -104.55 146.77 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.040000000000006 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.649 ' HB3' HG23 ' A' ' 51' ' ' THR . 21.1 ttmm -114.06 111.18 21.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 61.109999999999999 110.919 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.08 114.28 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 71.349999999999994 110.898 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.524 HD11 ' HD3' ' A' ' 4' ' ' LYS . 32.2 mt -126.82 119.72 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.113 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.98 97.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.109 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -75.42 79.37 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.129999999999995 110.96 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.96 165.2 12.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 55.130000000000003 112.425 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -86.5 -29.51 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 m -111.93 -35.74 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.158 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 13' ' ' LYS . 9.9 tt -104.89 149.7 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' N ' HD23 ' A' ' 12' ' ' LEU . 9.5 tptm -152.79 113.22 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.85 130.63 6.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 75.420000000000002 112.471 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG2' HG23 ' A' ' 6' ' ' ILE . 26.4 mt-10 -139.79 128.88 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 72.230000000000004 110.906 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.87 145.12 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 52.229999999999997 111.203 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -126.2 146.99 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.106 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -156.83 159.77 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 73.299999999999997 111.228 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -88.87 153.74 20.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 63.340000000000003 110.885 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.53 -173.16 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 111.092 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.56 -52.22 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.310000000000002 111.121 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 3.9 p-10 -161.64 -178.27 6.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 21.140000000000001 111.101 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' A' ' 22' ' ' ASP . . . -75.24 -42.26 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.184 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.0 m -71.0 -48.97 50.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 111.181 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 54.420000000000002 111.045 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -67.16 -58.64 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.040000000000006 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.24 -34.69 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 74.129999999999995 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 25' ' ' THR . 91.6 t -71.06 -48.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 73.510000000000005 111.092 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.86 -26.24 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 54.200000000000003 110.884 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -34.89 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.450000000000003 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.69 -21.41 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 65.450000000000003 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.22 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 63.240000000000002 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' A' ' 54' ' ' ILE . 18.9 p90 -73.68 -24.52 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 72.209999999999994 110.858 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.54 -27.27 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.883 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -82.15 -26.59 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.329999999999998 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -72.18 -18.22 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 41.48 33.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.84 128.84 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 60.340000000000003 111.199 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.45 125.03 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.878 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.53 -146.29 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 55.399999999999999 112.44 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -94.49 111.67 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 74.129999999999995 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -107.45 118.97 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.934 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -160.25 162.86 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -103.78 128.59 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.925 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -81.81 102.77 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.019999999999996 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.52 -21.99 66.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.826 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 54.350000000000001 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 p -114.33 24.18 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.103 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.8 42.55 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 4' ' ' LYS . 92.7 m -112.18 111.38 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 75.140000000000001 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -72.84 113.99 10.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 75.329999999999998 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.8 m -126.35 120.21 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 65.420000000000002 111.147 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 34' ' ' PHE . 54.4 mt -93.52 133.09 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 111.102 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.45 99.75 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 63.329999999999998 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 72.239999999999995 110.883 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 19' ' ' GLU . 26.1 p -107.0 138.69 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.010000000000005 111.171 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.79 129.19 55.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 64.040000000000006 110.944 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -113.58 132.61 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.109999999999999 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 30' ' ' PHE . 10.0 mp -106.41 124.56 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.349999999999994 110.9 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' THR . 74.5 mt -127.02 101.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 75.109999999999999 111.181 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.503 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.3 mp -72.6 102.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 111.049 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.91 78.25 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.129999999999995 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.2 164.39 22.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 55.130000000000003 112.491 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -92.24 -26.57 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 45.119999999999997 110.96 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -90.66 -42.64 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.768 HD13 HD11 ' A' ' 39' ' ' ILE . 8.7 tt -117.87 149.37 40.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 74.530000000000001 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.583 ' N ' HD23 ' A' ' 12' ' ' LEU . 12.9 tptp -156.08 128.19 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.91 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.73 -170.74 21.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.71 -0.757 . . . . 75.420000000000002 112.45 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -166.53 133.79 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 72.230000000000004 110.916 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -150.41 151.23 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 52.229999999999997 111.092 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -160.24 156.71 26.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.138 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.727 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.7 t -171.08 162.41 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 111.136 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' A' ' 2' ' ' THR . 23.2 tt0 -91.01 139.36 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 110.827 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -133.42 155.37 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 73.010000000000005 111.108 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.3 p -54.05 -39.44 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.112 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -145.63 -179.85 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.040000000000006 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -57.59 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 21.140000000000001 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -43.96 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 52.32 111.136 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -52.8 -38.71 61.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 73.140000000000001 111.194 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.89 -26.43 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 54.420000000000002 111.063 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.53 -31.39 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 73.040000000000006 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -79.77 -36.35 37.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -73.2 -51.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.1 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CZ ' HG22 ' A' ' 18' ' ' THR . 11.6 m-85 -63.71 -16.85 62.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 54.200000000000003 110.871 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -60.97 -41.01 95.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.450000000000003 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -87.87 -21.5 24.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 65.450000000000003 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.496 ' CE1' HG12 ' A' ' 29' ' ' VAL . 2.5 m-85 -51.17 -59.19 4.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.868 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -74.42 -23.22 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.88 -30.23 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.450000000000003 110.885 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.2 -44.36 83.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 110.926 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -72.25 -18.21 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.917 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.23 40.3 95.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.030000000000001 112.508 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HD13 ' A' ' 12' ' ' LEU . 51.9 mm -65.02 138.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 60.340000000000003 111.134 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.52 125.32 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.319999999999993 110.881 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.87 -145.09 10.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 55.399999999999999 112.505 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.34 104.74 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 74.129999999999995 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 44' ' ' THR . 43.9 p-90 -108.24 117.58 34.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 75.209999999999994 110.852 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -161.22 165.73 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.208 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -103.63 127.57 51.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 111.015 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -78.16 103.75 8.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.86 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.36 -21.81 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 54.350000000000001 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 p -113.09 22.76 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.25 111.183 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.71 47.5 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 m -118.76 112.49 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 111.138 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -74.93 136.96 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 6' ' ' ILE . 30.8 m -154.9 127.4 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 111.13 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -91.82 141.29 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.078 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.17 99.8 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 63.329999999999998 111.206 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 110.881 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.859 0.361 . . . . 64.150000000000006 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -108.78 131.37 55.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.010000000000005 111.158 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 17' ' ' THR . 6.1 m-85 -104.68 139.25 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 64.040000000000006 110.874 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.607 ' HD3' HD11 ' A' ' 6' ' ' ILE . 18.0 ttmm -112.56 109.36 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 61.109999999999999 110.878 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 116.93 26.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 71.349999999999994 110.856 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 4' ' ' LYS . 57.6 mt -127.01 124.58 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.111 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.75 110.13 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.118 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -95.82 74.36 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 64.129999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.59 157.96 22.81 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 55.130000000000003 112.53 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -78.82 -26.05 44.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.867 0.365 . . . . 45.119999999999997 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 m -66.13 -49.55 67.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 111.217 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 13' ' ' LYS . 2.4 pp -147.36 172.08 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.54 111.76 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.903 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.14 -175.38 14.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 75.420000000000002 112.492 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -166.94 127.4 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 72.230000000000004 110.933 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 p -144.61 152.1 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 52.229999999999997 111.141 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PHE . 2.4 m -150.49 147.6 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.116 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -173.54 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -81.7 155.25 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 63.340000000000003 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.33 174.74 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 111.085 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.4 p -58.01 -39.4 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.310000000000002 111.148 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -155.58 155.89 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.040000000000006 110.857 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.43 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 21.140000000000001 111.078 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -25.87 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.099 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 21' ' ' VAL . 51.6 m -78.0 -33.16 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 111.138 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.09 -25.37 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 54.420000000000002 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -66.21 -35.72 81.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.863 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -77.77 -32.81 52.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.868 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 25' ' ' THR . 57.9 t -72.9 -52.37 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.510000000000005 111.182 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.59 -26.61 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 54.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -36.04 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -87.79 -21.47 25.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 65.450000000000003 110.895 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE1' HG12 ' A' ' 29' ' ' VAL . 1.5 m-85 -51.17 -59.18 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 63.240000000000002 110.915 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -74.31 -23.23 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -52.67 -32.71 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 73.450000000000003 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.29 -38.36 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 70.329999999999998 110.86 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -72.08 -18.29 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 70.239999999999995 110.894 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.0 19.52 45.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.798 -0.715 . . . . 71.030000000000001 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.88 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 60.340000000000003 111.127 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.38 124.93 47.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 110.856 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.58 44.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.509 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.5 90.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 74.129999999999995 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 44' ' ' THR . 68.9 p-90 -89.46 126.67 35.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 75.209999999999994 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.27 167.62 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 74.129999999999995 111.178 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -109.96 118.14 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 110.968 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -72.27 112.16 8.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.019999999999996 110.847 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.82 -22.81 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 64.120000000000005 110.813 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.52 -71.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.138 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -115.22 24.97 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 72.25 111.114 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.86 33.35 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.93 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.9 m -98.68 137.96 36.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -93.03 129.58 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.329999999999998 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -133.83 148.32 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 111.121 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.91 106.6 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.200000000000003 111.156 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -106.61 109.94 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 63.329999999999998 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.239999999999995 110.881 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 64.150000000000006 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 19' ' ' GLU . 80.2 p -100.09 130.6 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 65.010000000000005 111.2 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 17' ' ' THR . 20.3 m-85 -104.11 156.31 17.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 64.040000000000006 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HD3' HD11 ' A' ' 6' ' ' ILE . 2.9 ttmp? -135.31 124.57 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 61.109999999999999 110.811 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.0 mp -94.27 113.0 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 71.349999999999994 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.687 HD11 ' HD3' ' A' ' 4' ' ' LYS . 47.6 mm -119.18 102.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.119 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.739 HG21 HD22 ' A' ' 12' ' ' LEU . 5.4 mp -83.87 112.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.16 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -87.71 100.02 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 64.129999999999995 110.895 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.87 167.29 27.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 55.130000000000003 112.478 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -26.37 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 45.119999999999997 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.24 -46.99 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 75.239999999999995 111.155 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.739 HD22 HG21 ' A' ' 7' ' ' ILE . 10.4 tt -100.2 146.76 26.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.93 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -158.67 120.0 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.903 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.01 137.57 9.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 75.420000000000002 112.466 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -136.82 136.78 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 72.230000000000004 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -174.61 157.77 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 52.229999999999997 111.116 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 3' ' ' PHE . 4.9 m -158.07 140.79 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.136 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 159.92 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 111.138 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' THR . 21.2 tt0 -90.28 155.97 18.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.94 -173.58 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.010000000000005 111.113 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -86.64 -33.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 63.310000000000002 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -149.33 163.77 36.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 72.040000000000006 110.907 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.29 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 21.140000000000001 111.09 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.96 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 52.32 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 53.4 m -77.78 -28.87 50.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 111.116 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.4 -29.85 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.420000000000002 111.099 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.1 -32.38 26.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 73.040000000000006 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.87 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' THR . 84.9 t -88.7 -46.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 73.510000000000005 111.07 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 5' ' ' LEU . 5.3 m-85 -60.2 -22.8 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 54.200000000000003 110.909 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -72.31 -26.49 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -87.83 -21.64 24.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 65.450000000000003 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.44 -59.12 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 63.240000000000002 110.971 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -74.36 -23.29 59.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.209999999999994 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -51.96 -40.79 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.450000000000003 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.35 -27.16 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 110.876 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.07 -18.21 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.239999999999995 110.933 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.05 27.61 65.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 71.030000000000001 112.438 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.23 126.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 60.340000000000003 111.166 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.98 125.16 45.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.77 -162.18 34.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.68 -0.772 . . . . 55.399999999999999 112.43 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.96 90.91 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.129999999999995 110.857 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' O ' HG23 ' A' ' 44' ' ' THR . 69.7 p-90 -91.17 129.16 37.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 75.209999999999994 110.915 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -160.3 136.64 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 111.079 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -107.9 122.51 46.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.895 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.11 134.56 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.019999999999996 110.899 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -86.05 -26.39 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.841 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.08 69.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -124.47 -3.17 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.25 111.172 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 58.01 29.94 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -105.31 147.2 28.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.156 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 54' ' ' ILE . 29.0 t80 -110.84 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.937 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -124.2 148.98 46.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 111.108 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.605 HD11 ' CE2' ' A' ' 52' ' ' PHE . 62.6 mt -132.11 114.06 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 111.075 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 99.79 11.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 63.329999999999998 111.144 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.863 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 23' ' ' ALA . 14.0 ptp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 64.150000000000006 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 19' ' ' GLU . 23.3 p -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.010000000000005 111.146 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -104.47 129.65 52.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 64.040000000000006 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -105.08 111.92 24.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 61.109999999999999 110.909 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -88.89 109.13 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 71.349999999999994 110.887 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -112.34 100.18 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 111.135 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 12' ' ' LEU . 7.2 mt -74.5 115.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 111.046 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -99.5 115.0 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.908 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.0 161.26 15.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.659 -0.781 . . . . 55.130000000000003 112.407 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -86.66 -25.99 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 45.119999999999997 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -66.27 -49.23 67.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 75.239999999999995 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' ILE . 8.9 tt -138.06 141.43 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.010000000000005 110.953 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.62 145.3 16.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.492 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -143.68 124.55 14.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 72.230000000000004 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -161.48 145.29 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 52.229999999999997 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -126.88 148.3 50.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.25 111.142 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.8 t -143.91 156.81 44.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.081 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.733 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.2 tp10 -84.64 151.73 24.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 63.340000000000003 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.675 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -142.5 174.43 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 111.112 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.44 -34.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.310000000000002 111.136 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -148.47 177.81 9.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 72.040000000000006 110.854 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . -72.41 -47.72 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 21.140000000000001 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.48 91.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 52.32 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -64.49 -32.51 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 111.14 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.47 -30.99 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 54.420000000000002 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -77.17 -43.62 33.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.908 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -57.26 -26.74 61.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.918 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' THR . 67.5 t -87.92 -57.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.152 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.633 ' HD1' HD12 ' A' ' 5' ' ' LEU . 3.4 m-85 -57.27 -23.88 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 54.200000000000003 110.904 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -68.31 -31.89 71.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 74.450000000000003 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.94 -21.57 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 65.450000000000003 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -59.19 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.937 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -72.61 -23.21 60.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -59.51 -52.93 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.450000000000003 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.57 -24.41 67.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 70.329999999999998 110.863 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -18.19 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 110.909 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.71 35.23 46.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.749 . . . . 71.030000000000001 112.498 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.2 mt -91.39 117.3 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 60.340000000000003 111.039 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.35 130.5 49.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.319999999999993 110.865 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.91 -160.01 33.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 55.399999999999999 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -90.5 91.61 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 74.129999999999995 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' THR . 67.2 p-90 -91.2 127.48 36.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 75.209999999999994 110.925 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -161.36 169.06 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 74.129999999999995 111.083 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -111.14 134.46 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.140000000000001 110.924 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.36 135.41 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.885 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.67 -21.02 60.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 64.120000000000005 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 54.350000000000001 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.37 35.74 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 72.25 111.197 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 53.71 46.29 26.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.109999999999999 110.885 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -97.11 120.04 36.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.126 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -79.24 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -126.36 148.47 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 111.17 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.86 98.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 111.135 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.4 102.86 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 63.329999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.868 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 19' ' ' GLU . 44.6 p -94.43 138.44 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 65.010000000000005 111.117 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -111.23 145.07 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 6' ' ' ILE . 26.9 ttpt -126.49 123.17 37.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 61.109999999999999 110.866 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.587 HD11 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -96.42 111.13 23.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.349999999999994 110.911 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 4' ' ' LYS . 34.6 mt -109.57 99.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 111.109 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 12' ' ' LEU . 5.0 mp -84.94 109.69 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 111.09 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -89.24 86.84 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.21 158.04 21.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 55.130000000000003 112.483 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -84.03 -28.5 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 45.119999999999997 110.937 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 m -106.61 -27.35 10.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 111.099 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 7' ' ' ILE . 9.2 tt -119.3 149.02 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.869 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -159.87 112.04 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 110.837 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.83 134.73 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.485 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -142.18 123.88 15.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 72.230000000000004 110.888 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -160.8 144.56 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 52.229999999999997 111.164 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -137.82 151.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 74.25 111.156 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -171.34 160.49 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.299999999999997 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.701 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.1 tm-20 -83.49 154.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.919 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -138.47 -175.46 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 73.010000000000005 111.066 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.33 -52.17 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 111.105 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -156.86 -176.25 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.040000000000006 110.856 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.23 -32.71 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 21.140000000000001 111.086 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.91 -22.8 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 52.32 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.6 m -84.07 -31.56 25.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 111.157 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.16 -23.5 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 54.420000000000002 111.125 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.96 -32.37 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 73.040000000000006 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.3 53.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.129999999999995 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' THR . 95.9 t -88.58 -41.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.173 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD11 ' A' ' 5' ' ' LEU . 4.0 m-85 -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.82 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.15 79.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -87.8 -21.51 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -51.24 -59.1 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.240000000000002 110.914 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -74.49 -23.02 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 72.209999999999994 110.885 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -51.99 -38.25 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.859 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -65.37 -32.87 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 70.329999999999998 110.922 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.09 -18.25 61.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 70.239999999999995 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.64 32.94 83.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 71.030000000000001 112.539 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.4 107.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 60.340000000000003 111.146 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.23 126.14 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.846 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.1 -153.13 23.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 55.399999999999999 112.537 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -94.37 90.89 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 74.129999999999995 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 44' ' ' THR . 67.5 p-90 -91.92 127.21 37.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 110.958 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -158.99 140.48 13.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 111.179 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -112.68 115.94 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 110.983 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.03 132.83 42.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 75.019999999999996 110.846 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -87.87 -26.51 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.36 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 54.350000000000001 111.158 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -122.12 -6.01 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.452 . . . . 72.25 111.163 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt 63.34 29.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.896 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -106.28 140.85 38.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.135 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -105.14 121.85 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.329999999999998 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 m -126.67 153.88 44.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 65.420000000000002 111.15 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.63 144.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 111.098 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 99.85 4.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 111.174 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.239999999999995 110.888 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.796 ' HG3' ' HB2' ' A' ' 23' ' ' ALA . 4.9 mmt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 19' ' ' GLU . 31.9 p -109.57 128.54 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 65.010000000000005 111.142 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 17' ' ' THR . 22.3 m-85 -104.14 156.41 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 64.040000000000006 110.874 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 51' ' ' THR . 24.3 ttmt -135.83 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -101.31 108.97 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.349999999999994 110.886 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.36 120.28 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 111.148 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.64 113.28 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 111.132 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -97.83 84.5 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.04 140.35 6.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 55.130000000000003 112.452 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -61.68 -27.99 69.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 45.119999999999997 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -66.7 -48.12 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 111.146 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 13' ' ' LYS . 4.7 tt -132.91 128.45 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.935 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.456 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 mmmp? -129.52 104.64 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.010000000000005 110.924 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.68 173.34 31.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.466 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -160.62 131.03 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 72.230000000000004 110.903 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 p -140.32 161.67 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.229999999999997 111.114 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.4 m -161.53 143.04 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.25 111.135 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -166.48 161.93 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 111.124 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HG22 ' A' ' 2' ' ' THR . 54.5 tt0 -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.877 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.731 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -130.89 -170.66 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.010000000000005 111.117 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 25' ' ' THR . 27.7 m -75.72 -34.88 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.144 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -149.92 159.07 44.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 72.040000000000006 110.805 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -60.83 -51.86 67.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 21.140000000000001 111.082 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.47 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.559 HG21 ' CG2' ' A' ' 21' ' ' VAL . 86.6 m -61.34 -40.41 94.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.104 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.731 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.77 -25.01 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.420000000000002 111.126 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.13 -37.18 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -73.57 -31.61 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 74.129999999999995 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -80.89 -46.28 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 111.147 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 5' ' ' LEU . 4.8 m-85 -57.22 -24.24 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.853 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -70.98 -29.3 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.450000000000003 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.72 -21.62 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 65.450000000000003 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.2 m-85 -51.3 -59.16 4.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 63.240000000000002 110.956 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -74.43 -23.21 58.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 72.209999999999994 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -51.98 -38.23 55.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 73.450000000000003 110.888 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.39 -32.9 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 70.329999999999998 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -72.16 -18.24 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 70.239999999999995 110.911 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.13 90.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 71.030000000000001 112.454 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.33 116.9 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 60.340000000000003 111.161 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.53 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.844 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.5 -148.47 13.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 55.399999999999999 112.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.9 90.96 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 110.89 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -95.34 125.97 40.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.928 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.71 156.58 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 111.148 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -104.76 122.06 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.928 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -78.82 96.47 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 75.019999999999996 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.34 -22.72 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 64.120000000000005 110.846 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 54.350000000000001 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -110.03 23.63 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 72.25 111.174 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.84 46.71 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.446 HG23 ' HB3' ' A' ' 4' ' ' LYS . 25.2 m -114.35 129.94 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.140000000000001 111.14 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 54' ' ' ILE . 52.1 t80 -94.28 115.52 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 m -122.74 145.84 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 65.420000000000002 111.182 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 52' ' ' PHE . 79.5 mt -126.34 143.07 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -129.96 102.14 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.329999999999998 111.166 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.239999999999995 110.921 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.905 0.383 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -100.49 135.16 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 65.010000000000005 111.168 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 17' ' ' THR . 8.8 m-85 -110.66 146.21 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 64.040000000000006 110.878 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -125.68 127.06 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 61.109999999999999 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 30' ' ' PHE . 2.3 mp -98.95 109.61 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 71.349999999999994 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.14 100.02 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.109999999999999 111.139 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.1 mp -80.79 110.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.319999999999993 111.13 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.15 85.54 4.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.846 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.22 135.72 8.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 55.130000000000003 112.501 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -66.18 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 45.119999999999997 110.953 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -98.11 -37.92 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 111.11 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 12' ' ' LEU . 10.0 tt -112.89 140.48 47.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.530000000000001 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.73 107.49 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.927 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.32 135.36 12.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 75.420000000000002 112.524 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -140.14 128.85 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 72.230000000000004 110.833 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.69 155.32 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 52.229999999999997 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.3 m -152.18 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.135 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -162.76 162.27 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.147 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.62 155.24 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.45 -177.11 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 111.119 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.81 -52.17 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.310000000000002 111.066 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.94 -178.69 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.835 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.42 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 21.140000000000001 111.148 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.7 60.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 52.32 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -84.74 -33.4 23.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 111.123 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.9 -31.25 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.420000000000002 111.136 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.73 -32.35 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 73.040000000000006 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -78.59 -27.02 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.914 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -84.29 -47.05 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.510000000000005 111.089 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 5' ' ' LEU . 5.0 m-85 -57.0 -24.78 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 54.200000000000003 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -62.92 -37.51 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -87.76 -21.44 25.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 65.450000000000003 110.895 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.03 -59.21 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 63.240000000000002 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -74.46 -23.13 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 72.209999999999994 110.925 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -51.96 -44.05 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 73.450000000000003 110.907 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.66 -29.53 64.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.37 -18.2 61.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 70.239999999999995 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.71 41.4 93.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.454 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.44 133.44 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.888 0.375 . . . . 60.340000000000003 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -110.62 134.6 52.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.847 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.14 -149.45 20.85 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.743 -0.741 . . . . 55.399999999999999 112.499 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -97.19 97.87 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 74.129999999999995 110.817 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.64 155.8 26.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 111.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -109.51 123.88 50.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 71.140000000000001 110.956 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.03 114.8 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 75.019999999999996 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.85 -23.14 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 64.120000000000005 110.871 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -114.19 23.28 13.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 72.25 111.105 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp 51.87 30.12 6.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 110.906 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.7 m -94.53 134.5 37.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 75.140000000000001 111.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 54' ' ' ILE . 72.7 t80 -99.11 122.02 41.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.329999999999998 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.8 m -129.1 136.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 65.420000000000002 111.153 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 52' ' ' PHE . 75.8 mt -113.4 134.82 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.093 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.42 99.86 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 63.329999999999998 111.161 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.919 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 64.150000000000006 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 19' ' ' GLU . 27.6 p -91.08 140.65 29.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 65.010000000000005 111.146 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.33 141.66 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 64.040000000000006 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HB3' HG23 ' A' ' 51' ' ' THR . 23.6 ttpt -119.1 113.21 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 61.109999999999999 110.888 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.05 113.71 24.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.349999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mm -113.56 133.24 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 111.094 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.702 HG21 HD22 ' A' ' 12' ' ' LEU . 5.2 mp -110.99 102.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.319999999999993 111.102 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -77.26 82.71 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 64.129999999999995 110.872 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.16 124.58 4.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 55.130000000000003 112.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -57.12 -26.09 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 45.119999999999997 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 m -103.66 -34.79 8.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 111.123 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 7' ' ' ILE . 9.5 tt -114.8 121.72 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.949 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -132.72 108.57 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 73.010000000000005 110.956 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.59 154.76 26.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.753 -0.737 . . . . 75.420000000000002 112.498 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -143.72 132.16 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 72.230000000000004 110.853 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.4 p -136.88 137.64 39.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 52.229999999999997 111.134 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -137.08 149.02 47.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.185 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -163.29 158.3 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.299999999999997 111.175 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 2' ' ' THR . 17.7 mp0 -77.71 143.89 37.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -125.94 177.97 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.126 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 ' CG1' HG21 ' A' ' 25' ' ' THR . 10.4 p -96.44 -31.01 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 63.310000000000002 111.149 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -155.13 161.3 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.040000000000006 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.62 84.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 21.140000000000001 111.113 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.55 -28.71 37.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 52.32 111.156 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 HG21 ' CG1' ' A' ' 21' ' ' VAL . 85.1 m -75.89 -31.04 59.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 111.165 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.15 -26.85 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.420000000000002 111.137 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.02 -47.51 65.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -58.08 -42.31 85.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.05 -57.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 111.077 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.52 -26.99 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 54.200000000000003 110.864 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -64.49 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.450000000000003 110.925 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.68 -21.4 25.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.450000000000003 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -51.01 -59.21 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CG ' HD11 ' A' ' 54' ' ' ILE . 25.2 p90 -74.48 -23.08 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.209999999999994 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -51.91 -44.57 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.23 -27.86 68.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.329999999999998 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.1 -18.27 61.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.239999999999995 110.9 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.55 95.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 71.030000000000001 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 7' ' ' ILE . 65.5 mt -90.11 117.33 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 60.340000000000003 111.146 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.79 128.62 41.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.319999999999993 110.799 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.09 -169.83 39.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.528 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -79.44 95.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 74.129999999999995 110.839 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 44' ' ' THR . 62.8 p-90 -99.62 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.94 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -157.57 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 111.112 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -108.37 124.12 49.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.140000000000001 110.942 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -72.21 115.9 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.09 -23.31 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 64.120000000000005 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.54 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 54.350000000000001 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -122.32 32.68 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.25 111.197 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 51.93 45.98 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.109999999999999 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.7 m -101.95 122.28 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 75.140000000000001 111.181 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.2 129.09 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 75.329999999999998 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -133.04 148.66 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 65.420000000000002 111.122 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.427 HD11 ' CG ' ' A' ' 34' ' ' PHE . 72.4 mt -128.97 115.78 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 111.127 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.17 105.58 17.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.329999999999998 111.134 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.239999999999995 110.878 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.735 HG22 ' HA ' ' A' ' 19' ' ' GLU . 29.9 p -100.01 145.24 28.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 65.010000000000005 111.093 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.38 142.42 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.040000000000006 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -111.16 108.6 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 61.109999999999999 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.81 117.65 27.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.349999999999994 110.96 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mt -122.44 137.24 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 111.096 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.701 HG21 HD22 ' A' ' 12' ' ' LEU . 5.1 mp -112.75 94.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 75.319999999999993 111.167 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -75.11 75.03 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 64.129999999999995 110.892 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.08 140.26 16.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.815 -0.707 . . . . 55.130000000000003 112.476 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -54.29 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 45.119999999999997 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -88.93 -49.25 6.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 111.206 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 7' ' ' ILE . 8.6 tt -83.55 123.97 30.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -139.66 113.34 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.010000000000005 110.851 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.53 142.71 7.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 75.420000000000002 112.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.87 142.68 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 72.230000000000004 110.952 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -140.04 -178.43 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 52.229999999999997 111.118 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -158.08 152.99 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -162.91 156.09 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 111.18 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HG22 ' A' ' 2' ' ' THR . 5.7 tm-20 -88.77 152.05 22.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 110.952 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -135.84 178.62 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 111.094 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.523 HG22 HG21 ' A' ' 25' ' ' THR . 33.2 m -79.25 -32.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.144 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -161.2 159.97 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.819 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.08 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 21.140000000000001 111.137 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -23.39 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 52.32 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.6 m -84.92 -33.3 22.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.140000000000001 111.194 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.605 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.84 -30.66 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 54.420000000000002 111.134 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.73 -32.39 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -78.24 -28.38 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -82.62 -43.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 111.051 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.44 -20.81 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 54.200000000000003 110.851 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -72.52 -39.56 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.450000000000003 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -21.45 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 65.450000000000003 110.92 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.3 m-85 -52.83 -59.34 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 63.240000000000002 110.932 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.571 ' HB2' HD12 ' A' ' 39' ' ' ILE . 19.9 p90 -76.05 -23.68 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 72.209999999999994 110.886 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -51.85 -47.12 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.450000000000003 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.67 -26.17 64.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.329999999999998 110.82 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.01 -18.25 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 70.239999999999995 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.14 40.97 92.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 71.030000000000001 112.48 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' HB2' ' A' ' 34' ' ' PHE . 57.6 mt -88.71 107.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 60.340000000000003 111.123 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.8 130.12 35.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 71.319999999999993 110.896 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.21 -161.07 33.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 55.399999999999999 112.523 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -87.16 93.24 9.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 74.129999999999995 110.915 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . 65.3 p-90 -96.95 125.45 41.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.09 173.72 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.11 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.8 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.140000000000001 110.938 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 123.92 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.019999999999996 110.91 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.824 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.57 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 54.350000000000001 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -129.15 36.34 4.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 72.25 111.087 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 54.08 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 74.109999999999999 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -102.02 118.36 36.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.140000000000001 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -82.41 118.26 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 144.84 48.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 65.420000000000002 111.165 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.552 HG21 HG22 ' A' ' 39' ' ' ILE . 77.2 mt -124.08 97.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 111.209 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 99.92 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.11 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 110.897 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.829 0.347 . . . . 64.150000000000006 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 p -87.84 131.67 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 65.010000000000005 111.169 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -104.55 146.77 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.040000000000006 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.649 ' HB3' HG23 ' A' ' 51' ' ' THR . 21.1 ttmm -114.06 111.18 21.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 61.109999999999999 110.919 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.08 114.28 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 71.349999999999994 110.898 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.524 HD11 ' HD3' ' A' ' 4' ' ' LYS . 32.2 mt -126.82 119.72 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.113 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.98 97.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.109 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -75.42 79.37 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.129999999999995 110.96 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.96 165.2 12.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 55.130000000000003 112.425 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -86.5 -29.51 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 m -111.93 -35.74 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.158 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 13' ' ' LYS . 9.9 tt -104.89 149.7 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.477 ' N ' HD23 ' A' ' 12' ' ' LEU . 9.5 tptm -152.79 113.22 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.85 130.63 6.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 75.420000000000002 112.471 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG2' HG23 ' A' ' 6' ' ' ILE . 26.4 mt-10 -139.79 128.88 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 72.230000000000004 110.906 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.87 145.12 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 52.229999999999997 111.203 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -126.2 146.99 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.106 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -156.83 159.77 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 73.299999999999997 111.228 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -88.87 153.74 20.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 63.340000000000003 110.885 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.53 -173.16 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 111.092 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.56 -52.22 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.310000000000002 111.121 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 3.9 p-10 -161.64 -178.27 6.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 21.140000000000001 111.101 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' A' ' 22' ' ' ASP . . . -75.24 -42.26 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.184 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.0 m -71.0 -48.97 50.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 111.181 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 54.420000000000002 111.045 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -67.16 -58.64 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.040000000000006 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.24 -34.69 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 74.129999999999995 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 25' ' ' THR . 91.6 t -71.06 -48.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 73.510000000000005 111.092 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.86 -26.24 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 54.200000000000003 110.884 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -34.89 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.450000000000003 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.69 -21.41 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 65.450000000000003 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.22 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 63.240000000000002 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' A' ' 54' ' ' ILE . 18.9 p90 -73.68 -24.52 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 72.209999999999994 110.858 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.54 -27.27 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.883 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -82.15 -26.59 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.329999999999998 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -72.18 -18.22 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 41.48 33.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.84 128.84 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 60.340000000000003 111.199 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.45 125.03 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.878 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.53 -146.29 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 55.399999999999999 112.44 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -94.49 111.67 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 74.129999999999995 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -107.45 118.97 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.934 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -160.25 162.86 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -103.78 128.59 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.925 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -81.81 102.77 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.019999999999996 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.52 -21.99 66.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.826 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 54.350000000000001 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 p -114.33 24.18 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.103 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.8 42.55 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 4' ' ' LYS . 92.7 m -112.18 111.38 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 75.140000000000001 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -72.84 113.99 10.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 75.329999999999998 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.8 m -126.35 120.21 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 65.420000000000002 111.147 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 34' ' ' PHE . 54.4 mt -93.52 133.09 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 111.102 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.45 99.75 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 63.329999999999998 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 72.239999999999995 110.883 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 19' ' ' GLU . 26.1 p -107.0 138.69 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.010000000000005 111.171 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.79 129.19 55.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 64.040000000000006 110.944 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -113.58 132.61 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.109999999999999 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 30' ' ' PHE . 10.0 mp -106.41 124.56 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.349999999999994 110.9 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' THR . 74.5 mt -127.02 101.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 75.109999999999999 111.181 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.503 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.3 mp -72.6 102.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 111.049 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.91 78.25 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.129999999999995 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.2 164.39 22.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 55.130000000000003 112.491 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -92.24 -26.57 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 45.119999999999997 110.96 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -90.66 -42.64 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.768 HD13 HD11 ' A' ' 39' ' ' ILE . 8.7 tt -117.87 149.37 40.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 74.530000000000001 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.583 ' N ' HD23 ' A' ' 12' ' ' LEU . 12.9 tptp -156.08 128.19 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.91 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.73 -170.74 21.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.71 -0.757 . . . . 75.420000000000002 112.45 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -166.53 133.79 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 72.230000000000004 110.916 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -150.41 151.23 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 52.229999999999997 111.092 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -160.24 156.71 26.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.138 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.727 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.7 t -171.08 162.41 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 111.136 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' A' ' 2' ' ' THR . 23.2 tt0 -91.01 139.36 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 110.827 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -133.42 155.37 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 73.010000000000005 111.108 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.3 p -54.05 -39.44 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.112 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -145.63 -179.85 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.040000000000006 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -57.59 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 21.140000000000001 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -43.96 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 52.32 111.136 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -52.8 -38.71 61.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 73.140000000000001 111.194 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.89 -26.43 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 54.420000000000002 111.063 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.53 -31.39 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 73.040000000000006 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -79.77 -36.35 37.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -73.2 -51.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.1 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CZ ' HG22 ' A' ' 18' ' ' THR . 11.6 m-85 -63.71 -16.85 62.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 54.200000000000003 110.871 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -60.97 -41.01 95.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.450000000000003 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -87.87 -21.5 24.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 65.450000000000003 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.496 ' CE1' HG12 ' A' ' 29' ' ' VAL . 2.5 m-85 -51.17 -59.19 4.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.868 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -74.42 -23.22 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.88 -30.23 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.450000000000003 110.885 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.2 -44.36 83.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 110.926 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -72.25 -18.21 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.917 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.23 40.3 95.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.030000000000001 112.508 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HD13 ' A' ' 12' ' ' LEU . 51.9 mm -65.02 138.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 60.340000000000003 111.134 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.52 125.32 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.319999999999993 110.881 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.87 -145.09 10.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 55.399999999999999 112.505 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.34 104.74 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 74.129999999999995 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 44' ' ' THR . 43.9 p-90 -108.24 117.58 34.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 75.209999999999994 110.852 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -161.22 165.73 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.208 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -103.63 127.57 51.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 111.015 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -78.16 103.75 8.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.86 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.36 -21.81 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 54.350000000000001 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 p -113.09 22.76 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.25 111.183 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.71 47.5 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 m -118.76 112.49 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 111.138 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -74.93 136.96 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 6' ' ' ILE . 30.8 m -154.9 127.4 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 111.13 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -91.82 141.29 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.078 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.17 99.8 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 63.329999999999998 111.206 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 110.881 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.859 0.361 . . . . 64.150000000000006 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -108.78 131.37 55.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.010000000000005 111.158 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 17' ' ' THR . 6.1 m-85 -104.68 139.25 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 64.040000000000006 110.874 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.607 ' HD3' HD11 ' A' ' 6' ' ' ILE . 18.0 ttmm -112.56 109.36 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 61.109999999999999 110.878 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 116.93 26.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 71.349999999999994 110.856 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 4' ' ' LYS . 57.6 mt -127.01 124.58 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.111 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.75 110.13 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.118 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -95.82 74.36 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 64.129999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.59 157.96 22.81 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 55.130000000000003 112.53 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -78.82 -26.05 44.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.867 0.365 . . . . 45.119999999999997 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 m -66.13 -49.55 67.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 111.217 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 13' ' ' LYS . 2.4 pp -147.36 172.08 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.54 111.76 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.903 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.14 -175.38 14.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 75.420000000000002 112.492 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -166.94 127.4 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 72.230000000000004 110.933 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 p -144.61 152.1 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 52.229999999999997 111.141 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PHE . 2.4 m -150.49 147.6 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.116 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -173.54 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -81.7 155.25 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 63.340000000000003 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.33 174.74 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 111.085 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.4 p -58.01 -39.4 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.310000000000002 111.148 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -155.58 155.89 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.040000000000006 110.857 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.43 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 21.140000000000001 111.078 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -25.87 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.099 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 21' ' ' VAL . 51.6 m -78.0 -33.16 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 111.138 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.09 -25.37 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 54.420000000000002 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -66.21 -35.72 81.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.863 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -77.77 -32.81 52.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.868 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 25' ' ' THR . 57.9 t -72.9 -52.37 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.510000000000005 111.182 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.59 -26.61 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 54.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -36.04 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -87.79 -21.47 25.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 65.450000000000003 110.895 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE1' HG12 ' A' ' 29' ' ' VAL . 1.5 m-85 -51.17 -59.18 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 63.240000000000002 110.915 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -74.31 -23.23 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -52.67 -32.71 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 73.450000000000003 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.29 -38.36 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 70.329999999999998 110.86 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -72.08 -18.29 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 70.239999999999995 110.894 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.0 19.52 45.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.798 -0.715 . . . . 71.030000000000001 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.88 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 60.340000000000003 111.127 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.38 124.93 47.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 110.856 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.58 44.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.509 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.5 90.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 74.129999999999995 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 44' ' ' THR . 68.9 p-90 -89.46 126.67 35.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 75.209999999999994 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.27 167.62 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 74.129999999999995 111.178 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -109.96 118.14 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 110.968 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -72.27 112.16 8.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.019999999999996 110.847 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.82 -22.81 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 64.120000000000005 110.813 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.52 -71.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.138 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -115.22 24.97 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 72.25 111.114 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.86 33.35 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.93 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.9 m -98.68 137.96 36.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -93.03 129.58 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.329999999999998 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -133.83 148.32 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 111.121 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.91 106.6 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.200000000000003 111.156 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -106.61 109.94 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 63.329999999999998 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.239999999999995 110.881 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 64.150000000000006 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 19' ' ' GLU . 80.2 p -100.09 130.6 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 65.010000000000005 111.2 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 17' ' ' THR . 20.3 m-85 -104.11 156.31 17.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 64.040000000000006 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HD3' HD11 ' A' ' 6' ' ' ILE . 2.9 ttmp? -135.31 124.57 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 61.109999999999999 110.811 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.0 mp -94.27 113.0 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 71.349999999999994 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.687 HD11 ' HD3' ' A' ' 4' ' ' LYS . 47.6 mm -119.18 102.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.119 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.739 HG21 HD22 ' A' ' 12' ' ' LEU . 5.4 mp -83.87 112.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.16 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -87.71 100.02 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 64.129999999999995 110.895 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.87 167.29 27.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 55.130000000000003 112.478 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -26.37 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 45.119999999999997 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.24 -46.99 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 75.239999999999995 111.155 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.739 HD22 HG21 ' A' ' 7' ' ' ILE . 10.4 tt -100.2 146.76 26.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.93 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -158.67 120.0 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.903 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.01 137.57 9.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 75.420000000000002 112.466 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -136.82 136.78 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 72.230000000000004 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -174.61 157.77 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 52.229999999999997 111.116 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 3' ' ' PHE . 4.9 m -158.07 140.79 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.136 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 159.92 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 111.138 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' THR . 21.2 tt0 -90.28 155.97 18.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.94 -173.58 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.010000000000005 111.113 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -86.64 -33.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 63.310000000000002 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -149.33 163.77 36.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 72.040000000000006 110.907 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.29 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 21.140000000000001 111.09 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.96 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 52.32 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 53.4 m -77.78 -28.87 50.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 111.116 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.4 -29.85 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.420000000000002 111.099 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.1 -32.38 26.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 73.040000000000006 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.87 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' THR . 84.9 t -88.7 -46.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 73.510000000000005 111.07 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 5' ' ' LEU . 5.3 m-85 -60.2 -22.8 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 54.200000000000003 110.909 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -72.31 -26.49 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -87.83 -21.64 24.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 65.450000000000003 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.44 -59.12 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 63.240000000000002 110.971 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -74.36 -23.29 59.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.209999999999994 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -51.96 -40.79 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.450000000000003 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.35 -27.16 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 110.876 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.07 -18.21 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.239999999999995 110.933 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.05 27.61 65.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 71.030000000000001 112.438 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.23 126.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 60.340000000000003 111.166 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.98 125.16 45.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.77 -162.18 34.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.68 -0.772 . . . . 55.399999999999999 112.43 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.96 90.91 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.129999999999995 110.857 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' O ' HG23 ' A' ' 44' ' ' THR . 69.7 p-90 -91.17 129.16 37.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 75.209999999999994 110.915 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -160.3 136.64 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 111.079 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -107.9 122.51 46.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.895 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.11 134.56 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.019999999999996 110.899 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -86.05 -26.39 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.841 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.08 69.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -124.47 -3.17 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.25 111.172 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 58.01 29.94 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -105.31 147.2 28.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.156 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 54' ' ' ILE . 29.0 t80 -110.84 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.937 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -124.2 148.98 46.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 111.108 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.605 HD11 ' CE2' ' A' ' 52' ' ' PHE . 62.6 mt -132.11 114.06 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 111.075 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 99.79 11.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 63.329999999999998 111.144 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.863 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 23' ' ' ALA . 14.0 ptp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 64.150000000000006 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 19' ' ' GLU . 23.3 p -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.010000000000005 111.146 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -104.47 129.65 52.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 64.040000000000006 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -105.08 111.92 24.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 61.109999999999999 110.909 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -88.89 109.13 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 71.349999999999994 110.887 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -112.34 100.18 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 111.135 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 12' ' ' LEU . 7.2 mt -74.5 115.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 111.046 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -99.5 115.0 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.908 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.0 161.26 15.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.659 -0.781 . . . . 55.130000000000003 112.407 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -86.66 -25.99 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 45.119999999999997 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -66.27 -49.23 67.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 75.239999999999995 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' ILE . 8.9 tt -138.06 141.43 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.010000000000005 110.953 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.62 145.3 16.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.492 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -143.68 124.55 14.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 72.230000000000004 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -161.48 145.29 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 52.229999999999997 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -126.88 148.3 50.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.25 111.142 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.8 t -143.91 156.81 44.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.081 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.733 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.2 tp10 -84.64 151.73 24.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 63.340000000000003 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.675 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -142.5 174.43 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 111.112 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.44 -34.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.310000000000002 111.136 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -148.47 177.81 9.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 72.040000000000006 110.854 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . -72.41 -47.72 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 21.140000000000001 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.48 91.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 52.32 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -64.49 -32.51 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 111.14 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.47 -30.99 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 54.420000000000002 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -77.17 -43.62 33.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.908 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -57.26 -26.74 61.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.918 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' THR . 67.5 t -87.92 -57.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.152 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.633 ' HD1' HD12 ' A' ' 5' ' ' LEU . 3.4 m-85 -57.27 -23.88 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 54.200000000000003 110.904 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -68.31 -31.89 71.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 74.450000000000003 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.94 -21.57 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 65.450000000000003 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -59.19 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.937 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -72.61 -23.21 60.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -59.51 -52.93 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.450000000000003 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.57 -24.41 67.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 70.329999999999998 110.863 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.22 -18.19 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 110.909 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.71 35.23 46.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.749 . . . . 71.030000000000001 112.498 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.2 mt -91.39 117.3 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 60.340000000000003 111.039 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.35 130.5 49.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.319999999999993 110.865 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.91 -160.01 33.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 55.399999999999999 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -90.5 91.61 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 74.129999999999995 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' THR . 67.2 p-90 -91.2 127.48 36.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 75.209999999999994 110.925 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -161.36 169.06 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 74.129999999999995 111.083 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -111.14 134.46 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.140000000000001 110.924 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.36 135.41 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.885 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.67 -21.02 60.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 64.120000000000005 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 54.350000000000001 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.37 35.74 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 72.25 111.197 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 53.71 46.29 26.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.109999999999999 110.885 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -97.11 120.04 36.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.126 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -79.24 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -126.36 148.47 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 111.17 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.86 98.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 111.135 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.4 102.86 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 63.329999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.868 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 19' ' ' GLU . 44.6 p -94.43 138.44 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 65.010000000000005 111.117 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -111.23 145.07 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 6' ' ' ILE . 26.9 ttpt -126.49 123.17 37.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 61.109999999999999 110.866 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.587 HD11 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -96.42 111.13 23.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.349999999999994 110.911 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 4' ' ' LYS . 34.6 mt -109.57 99.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 111.109 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 12' ' ' LEU . 5.0 mp -84.94 109.69 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 111.09 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -89.24 86.84 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.21 158.04 21.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 55.130000000000003 112.483 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -84.03 -28.5 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 45.119999999999997 110.937 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 m -106.61 -27.35 10.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 111.099 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 7' ' ' ILE . 9.2 tt -119.3 149.02 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.869 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -159.87 112.04 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 110.837 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.83 134.73 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.485 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -142.18 123.88 15.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 72.230000000000004 110.888 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -160.8 144.56 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 52.229999999999997 111.164 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -137.82 151.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 74.25 111.156 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -171.34 160.49 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.299999999999997 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.701 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.1 tm-20 -83.49 154.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.919 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -138.47 -175.46 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 73.010000000000005 111.066 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.33 -52.17 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 111.105 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -156.86 -176.25 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.040000000000006 110.856 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.23 -32.71 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 21.140000000000001 111.086 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.91 -22.8 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 52.32 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.6 m -84.07 -31.56 25.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 111.157 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.16 -23.5 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 54.420000000000002 111.125 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.96 -32.37 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 73.040000000000006 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.3 53.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.129999999999995 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' THR . 95.9 t -88.58 -41.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.173 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD11 ' A' ' 5' ' ' LEU . 4.0 m-85 -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.82 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.15 79.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -87.8 -21.51 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -51.24 -59.1 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.240000000000002 110.914 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -74.49 -23.02 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 72.209999999999994 110.885 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -51.99 -38.25 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.859 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -65.37 -32.87 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 70.329999999999998 110.922 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.09 -18.25 61.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 70.239999999999995 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.64 32.94 83.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 71.030000000000001 112.539 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.4 107.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 60.340000000000003 111.146 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.23 126.14 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.846 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.1 -153.13 23.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 55.399999999999999 112.537 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -94.37 90.89 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 74.129999999999995 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 44' ' ' THR . 67.5 p-90 -91.92 127.21 37.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 110.958 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -158.99 140.48 13.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 111.179 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -112.68 115.94 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 110.983 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.03 132.83 42.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 75.019999999999996 110.846 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -87.87 -26.51 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.36 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 54.350000000000001 111.158 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -122.12 -6.01 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.452 . . . . 72.25 111.163 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt 63.34 29.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.896 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -106.28 140.85 38.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.135 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -105.14 121.85 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.329999999999998 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 m -126.67 153.88 44.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 65.420000000000002 111.15 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.63 144.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 111.098 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 99.85 4.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 111.174 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.239999999999995 110.888 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.796 ' HG3' ' HB2' ' A' ' 23' ' ' ALA . 4.9 mmt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.871 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 19' ' ' GLU . 31.9 p -109.57 128.54 55.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 65.010000000000005 111.142 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.591 ' O ' HG23 ' A' ' 17' ' ' THR . 22.3 m-85 -104.14 156.41 17.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 64.040000000000006 110.874 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 51' ' ' THR . 24.3 ttmt -135.83 125.34 25.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 61.109999999999999 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -101.31 108.97 20.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.349999999999994 110.886 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -108.36 120.28 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 75.109999999999999 111.148 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.4 mp -95.64 113.28 29.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 111.132 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -97.83 84.5 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 64.129999999999995 110.919 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.04 140.35 6.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.673 -0.775 . . . . 55.130000000000003 112.452 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ttmt -61.68 -27.99 69.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.827 0.346 . . . . 45.119999999999997 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.6 p -66.7 -48.12 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.239999999999995 111.146 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 13' ' ' LYS . 4.7 tt -132.91 128.45 36.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.935 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 mmmp? -129.52 104.64 7.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 73.010000000000005 110.924 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.68 173.34 31.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.466 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -160.62 131.03 5.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 72.230000000000004 110.903 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.7 p -140.32 161.67 37.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.229999999999997 111.114 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.4 m -161.53 143.04 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.25 111.135 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 t -166.48 161.93 16.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.299999999999997 111.124 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.433 ' HB2' HG22 ' A' ' 2' ' ' THR . 54.5 tt0 -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 110.877 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.731 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -130.89 -170.66 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.010000000000005 111.117 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.559 ' CG2' HG21 ' A' ' 25' ' ' THR . 27.7 m -75.72 -34.88 29.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 63.310000000000002 111.144 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -149.92 159.07 44.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 72.040000000000006 110.805 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.796 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -60.83 -51.86 67.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 21.140000000000001 111.082 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.17 -35.47 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 52.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.559 HG21 ' CG2' ' A' ' 21' ' ' VAL . 86.6 m -61.34 -40.41 94.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.104 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.731 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.77 -25.01 33.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 54.420000000000002 111.126 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.13 -37.18 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.857 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -73.57 -31.61 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 74.129999999999995 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -80.89 -46.28 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.510000000000005 111.147 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 5' ' ' LEU . 4.8 m-85 -57.22 -24.24 53.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.853 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -70.98 -29.3 65.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.450000000000003 110.897 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -87.72 -21.62 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 65.450000000000003 110.915 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.2 m-85 -51.3 -59.16 4.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 63.240000000000002 110.956 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -74.43 -23.21 58.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 72.209999999999994 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -51.98 -38.23 55.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 73.450000000000003 110.888 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.39 -32.9 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 70.329999999999998 110.837 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -72.16 -18.24 61.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 70.239999999999995 110.911 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.93 35.13 90.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 71.030000000000001 112.454 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.5 mt -71.33 116.9 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.839 0.352 . . . . 60.340000000000003 111.161 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -97.53 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.844 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.5 -148.47 13.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 55.399999999999999 112.483 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -95.9 90.96 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 110.89 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -95.34 125.97 40.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.475 . . . . 75.209999999999994 110.928 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -154.71 156.58 36.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 111.148 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -104.76 122.06 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 71.140000000000001 110.928 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -78.82 96.47 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.506 . . . . 75.019999999999996 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -58.34 -22.72 54.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 64.120000000000005 110.846 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -73.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 54.350000000000001 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -110.03 23.63 14.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 72.25 111.174 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.84 46.71 26.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.109999999999999 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.446 HG23 ' HB3' ' A' ' 4' ' ' LYS . 25.2 m -114.35 129.94 56.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 75.140000000000001 111.14 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE1' HD11 ' A' ' 54' ' ' ILE . 52.1 t80 -94.28 115.52 27.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.329999999999998 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.1 m -122.74 145.84 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 65.420000000000002 111.182 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 52' ' ' PHE . 79.5 mt -126.34 143.07 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.126 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m -129.96 102.14 6.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 63.329999999999998 111.166 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 72.239999999999995 110.921 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.905 0.383 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.2 p -100.49 135.16 42.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.452 . . . . 65.010000000000005 111.168 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' O ' HG23 ' A' ' 17' ' ' THR . 8.8 m-85 -110.66 146.21 36.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 64.040000000000006 110.878 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -125.68 127.06 45.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 61.109999999999999 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 30' ' ' PHE . 2.3 mp -98.95 109.61 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 71.349999999999994 110.904 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.6 mt -114.14 100.02 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 75.109999999999999 111.139 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.1 mp -80.79 110.4 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 75.319999999999993 111.13 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.15 85.54 4.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 64.129999999999995 110.846 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.22 135.72 8.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 55.130000000000003 112.501 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -66.18 -35.81 81.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 45.119999999999997 110.953 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 m -98.11 -37.92 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 111.11 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 12' ' ' LEU . 10.0 tt -112.89 140.48 47.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.530000000000001 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.73 107.49 3.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 73.010000000000005 110.927 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.32 135.36 12.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 75.420000000000002 112.524 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -140.14 128.85 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.912 0.387 . . . . 72.230000000000004 110.833 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.69 155.32 10.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 52.229999999999997 111.126 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.3 m -152.18 144.6 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.135 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.9 t -162.76 162.27 26.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 73.299999999999997 111.147 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.62 155.24 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.45 -177.11 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 111.119 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.1 t -51.81 -52.17 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 63.310000000000002 111.066 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.94 -178.69 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.040000000000006 110.835 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.93 -46.42 71.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 21.140000000000001 111.148 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.53 -23.7 60.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 52.32 111.104 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -84.74 -33.4 23.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 73.140000000000001 111.123 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.759 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.9 -31.25 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 54.420000000000002 111.136 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.73 -32.35 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 73.040000000000006 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -78.59 -27.02 45.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.914 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 25' ' ' THR . 93.0 t -84.29 -47.05 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.510000000000005 111.089 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 5' ' ' LEU . 5.0 m-85 -57.0 -24.78 56.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 54.200000000000003 110.875 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -62.92 -37.51 87.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 74.450000000000003 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -87.76 -21.44 25.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 65.450000000000003 110.895 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -51.03 -59.21 4.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 63.240000000000002 110.928 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -74.46 -23.13 58.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 72.209999999999994 110.925 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -51.96 -44.05 63.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 73.450000000000003 110.907 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.66 -29.53 64.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.885 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -72.37 -18.2 61.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 70.239999999999995 110.929 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.71 41.4 93.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.454 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.44 133.44 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.888 0.375 . . . . 60.340000000000003 111.117 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -110.62 134.6 52.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 71.319999999999993 110.847 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.14 -149.45 20.85 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.743 -0.741 . . . . 55.399999999999999 112.499 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -97.19 97.87 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 74.129999999999995 110.817 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 75.209999999999994 110.941 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.64 155.8 26.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 111.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -109.51 123.88 50.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 71.140000000000001 110.956 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.03 114.8 16.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 75.019999999999996 110.852 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -66.85 -23.14 65.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 64.120000000000005 110.871 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.73 -69.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.035 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -114.19 23.28 13.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 72.25 111.105 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp 51.87 30.12 6.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 74.109999999999999 110.906 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.7 m -94.53 134.5 37.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 75.140000000000001 111.168 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CE1' HD11 ' A' ' 54' ' ' ILE . 72.7 t80 -99.11 122.02 41.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 75.329999999999998 110.915 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 36.8 m -129.1 136.98 50.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 65.420000000000002 111.153 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 52' ' ' PHE . 75.8 mt -113.4 134.82 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.200000000000003 111.093 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.42 99.86 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 63.329999999999998 111.161 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 72.239999999999995 110.919 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.2 mtt . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 64.150000000000006 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 19' ' ' GLU . 27.6 p -91.08 140.65 29.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 65.010000000000005 111.146 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -105.33 141.66 36.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 64.040000000000006 110.927 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.51 ' HB3' HG23 ' A' ' 51' ' ' THR . 23.6 ttpt -119.1 113.21 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 61.109999999999999 110.888 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.05 113.71 24.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 71.349999999999994 110.882 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mm -113.56 133.24 60.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 111.094 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.702 HG21 HD22 ' A' ' 12' ' ' LEU . 5.2 mp -110.99 102.31 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.319999999999993 111.102 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -77.26 82.71 3.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 64.129999999999995 110.872 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.16 124.58 4.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.773 -0.727 . . . . 55.130000000000003 112.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -57.12 -26.09 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 45.119999999999997 110.924 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.2 m -103.66 -34.79 8.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 111.123 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 7' ' ' ILE . 9.5 tt -114.8 121.72 44.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.949 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -132.72 108.57 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 73.010000000000005 110.956 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -144.59 154.76 26.01 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.753 -0.737 . . . . 75.420000000000002 112.498 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -143.72 132.16 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.945 0.402 . . . . 72.230000000000004 110.853 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.4 p -136.88 137.64 39.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 52.229999999999997 111.134 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -137.08 149.02 47.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.185 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -163.29 158.3 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 73.299999999999997 111.175 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HA ' HG22 ' A' ' 2' ' ' THR . 17.7 mp0 -77.71 143.89 37.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 63.340000000000003 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -125.94 177.97 6.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 73.010000000000005 111.126 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 ' CG1' HG21 ' A' ' 25' ' ' THR . 10.4 p -96.44 -31.01 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 63.310000000000002 111.149 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -155.13 161.3 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 72.040000000000006 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.91 -36.62 84.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 21.140000000000001 111.113 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.55 -28.71 37.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 52.32 111.156 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 HG21 ' CG1' ' A' ' 21' ' ' VAL . 85.1 m -75.89 -31.04 59.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 73.140000000000001 111.165 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.15 -26.85 33.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 54.420000000000002 111.137 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.02 -47.51 65.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -58.08 -42.31 85.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.894 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.05 -57.43 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 73.510000000000005 111.077 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -56.52 -26.99 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 54.200000000000003 110.864 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.3 tttt -64.49 -36.93 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 74.450000000000003 110.925 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.68 -21.4 25.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 65.450000000000003 110.956 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -51.01 -59.21 4.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 63.240000000000002 110.901 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CG ' HD11 ' A' ' 54' ' ' ILE . 25.2 p90 -74.48 -23.08 58.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 72.209999999999994 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -51.91 -44.57 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.919 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -65.23 -27.86 68.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 70.329999999999998 110.915 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.1 -18.27 61.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 70.239999999999995 110.9 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 39.55 95.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 71.030000000000001 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 7' ' ' ILE . 65.5 mt -90.11 117.33 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.321 . . . . 60.340000000000003 111.146 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.79 128.62 41.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 71.319999999999993 110.799 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.09 -169.83 39.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.528 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -79.44 95.39 5.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 74.129999999999995 110.839 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 44' ' ' THR . 62.8 p-90 -99.62 125.58 45.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 110.94 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -157.57 172.04 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 111.112 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -108.37 124.12 49.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 71.140000000000001 110.942 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -72.21 115.9 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 110.885 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.09 -23.31 67.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 64.120000000000005 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.54 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 54.350000000000001 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -122.32 32.68 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.25 111.197 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 51.93 45.98 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 74.109999999999999 110.876 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 4' ' ' LYS . 87.7 m -101.95 122.28 43.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 75.140000000000001 111.181 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -83.2 129.09 34.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 75.329999999999998 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.4 m -133.04 148.66 52.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 65.420000000000002 111.122 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.427 HD11 ' CG ' ' A' ' 34' ' ' PHE . 72.4 mt -128.97 115.78 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.200000000000003 111.127 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.17 105.58 17.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.329999999999998 111.134 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 72.239999999999995 110.878 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.858 0.361 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.735 HG22 ' HA ' ' A' ' 19' ' ' GLU . 29.9 p -100.01 145.24 28.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 65.010000000000005 111.093 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.38 142.42 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 64.040000000000006 110.844 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -111.16 108.6 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 61.109999999999999 110.863 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.81 117.65 27.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.349999999999994 110.96 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.6 mt -122.44 137.24 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 75.109999999999999 111.096 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.701 HG21 HD22 ' A' ' 12' ' ' LEU . 5.1 mp -112.75 94.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 75.319999999999993 111.167 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -75.11 75.03 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 64.129999999999995 110.892 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.08 140.26 16.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.815 -0.707 . . . . 55.130000000000003 112.476 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -54.29 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 45.119999999999997 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.8 m -88.93 -49.25 6.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 111.206 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 7' ' ' ILE . 8.6 tt -83.55 123.97 30.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -139.66 113.34 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.010000000000005 110.851 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.53 142.71 7.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 75.420000000000002 112.438 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.87 142.68 31.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 72.230000000000004 110.952 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 p -140.04 -178.43 5.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 52.229999999999997 111.118 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.0 m -158.08 152.99 25.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.161 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.3 t -162.91 156.09 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 111.18 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HG22 ' A' ' 2' ' ' THR . 5.7 tm-20 -88.77 152.05 22.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 110.952 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.605 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -135.84 178.62 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 111.094 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.523 HG22 HG21 ' A' ' 25' ' ' THR . 33.2 m -79.25 -32.65 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.144 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -161.2 159.97 29.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.819 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.85 -49.08 79.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 21.140000000000001 111.137 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.67 -23.39 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 52.32 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 29' ' ' VAL . 94.6 m -84.92 -33.3 22.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.140000000000001 111.194 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.605 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.84 -30.66 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 54.420000000000002 111.134 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.73 -32.39 72.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -78.24 -28.38 47.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.874 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -82.62 -43.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 73.510000000000005 111.051 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.44 -20.81 65.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 54.200000000000003 110.851 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -72.52 -39.56 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 74.450000000000003 110.857 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.99 -21.45 50.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 65.450000000000003 110.92 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE2' HG12 ' A' ' 29' ' ' VAL . 2.3 m-85 -52.83 -59.34 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 63.240000000000002 110.932 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.571 ' HB2' HD12 ' A' ' 39' ' ' ILE . 19.9 p90 -76.05 -23.68 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 72.209999999999994 110.886 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -51.85 -47.12 64.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.450000000000003 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -69.67 -26.17 64.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.329999999999998 110.82 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -74.01 -18.25 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 70.239999999999995 110.88 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.14 40.97 92.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.677 -0.773 . . . . 71.030000000000001 112.48 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.571 HD12 ' HB2' ' A' ' 34' ' ' PHE . 57.6 mt -88.71 107.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 60.340000000000003 111.123 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.8 130.12 35.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 71.319999999999993 110.896 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.21 -161.07 33.21 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 55.399999999999999 112.523 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -87.16 93.24 9.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.369 . . . . 74.129999999999995 110.915 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . 65.3 p-90 -96.95 125.45 41.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.905 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.09 173.72 14.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.11 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.8 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.140000000000001 110.938 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.59 123.92 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 75.019999999999996 110.91 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.51 -24.32 67.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 64.120000000000005 110.824 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.57 -75.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 54.350000000000001 111.123 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.7 p -129.15 36.34 4.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 72.25 111.087 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.99 54.08 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 74.109999999999999 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.1 m -102.02 118.36 36.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.140000000000001 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -82.41 118.26 23.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.887 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -122.77 144.84 48.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 65.420000000000002 111.165 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.552 HG21 HG22 ' A' ' 39' ' ' ILE . 77.2 mt -124.08 97.26 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 75.200000000000003 111.209 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.76 99.92 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.11 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 72.239999999999995 110.897 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.829 0.347 . . . . 64.150000000000006 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.9 p -87.84 131.67 34.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 65.010000000000005 111.169 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -104.55 146.77 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.040000000000006 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.649 ' HB3' HG23 ' A' ' 51' ' ' THR . 21.1 ttmm -114.06 111.18 21.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 61.109999999999999 110.919 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.08 114.28 26.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 71.349999999999994 110.898 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.524 HD11 ' HD3' ' A' ' 4' ' ' LYS . 32.2 mt -126.82 119.72 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 111.113 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.8 mp -99.98 97.05 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.109 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -75.42 79.37 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 64.129999999999995 110.96 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.96 165.2 12.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.77 . . . . 55.130000000000003 112.425 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -86.5 -29.51 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 45.119999999999997 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.3 m -111.93 -35.74 5.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 75.239999999999995 111.158 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 13' ' ' LYS . 9.9 tt -104.89 149.7 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' N ' HD23 ' A' ' 12' ' ' LEU . 9.5 tptm -152.79 113.22 4.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 110.845 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.85 130.63 6.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 75.420000000000002 112.471 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' HG2' HG23 ' A' ' 6' ' ' ILE . 26.4 mt-10 -139.79 128.88 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.942 0.401 . . . . 72.230000000000004 110.906 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -166.87 145.12 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.502 . . . . 52.229999999999997 111.203 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.1 m -126.2 146.99 49.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.106 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 t -156.83 159.77 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 73.299999999999997 111.228 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -88.87 153.74 20.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 63.340000000000003 110.885 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.837 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.53 -173.16 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 111.092 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.56 -52.22 48.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 63.310000000000002 111.121 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 24' ' ' ALA . 3.9 p-10 -161.64 -178.27 6.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.040000000000006 110.878 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.25 -33.79 76.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 21.140000000000001 111.101 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' A' ' 22' ' ' ASP . . . -75.24 -42.26 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.184 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.631 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.0 m -71.0 -48.97 50.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 73.140000000000001 111.181 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.837 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 54.420000000000002 111.045 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -67.16 -58.64 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.040000000000006 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -57.24 -34.69 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.079 -0.509 . . . . 74.129999999999995 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 25' ' ' THR . 91.6 t -71.06 -48.01 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 73.510000000000005 111.092 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.86 -26.24 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 54.200000000000003 110.884 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -34.89 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.450000000000003 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.69 -21.41 25.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 65.450000000000003 110.915 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.22 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 63.240000000000002 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CG ' HD11 ' A' ' 54' ' ' ILE . 18.9 p90 -73.68 -24.52 59.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 72.209999999999994 110.858 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -55.54 -27.27 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.883 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -82.15 -26.59 33.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 70.329999999999998 110.877 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -72.18 -18.22 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 70.239999999999995 110.876 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.91 41.48 33.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 71.030000000000001 112.491 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.84 128.84 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.841 0.353 . . . . 60.340000000000003 111.199 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.45 125.03 50.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 71.319999999999993 110.878 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.53 -146.29 12.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 55.399999999999999 112.44 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -94.49 111.67 23.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 74.129999999999995 110.905 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.1 p-90 -107.45 118.97 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.934 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -160.25 162.86 33.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -103.78 128.59 51.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.140000000000001 110.925 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -81.81 102.77 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 75.019999999999996 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -63.52 -21.99 66.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 64.120000000000005 110.826 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.46 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 54.350000000000001 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 p -114.33 24.18 12.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 72.25 111.103 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.8 42.55 30.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.109999999999999 110.887 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 4' ' ' LYS . 92.7 m -112.18 111.38 22.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 75.140000000000001 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -72.84 113.99 10.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 75.329999999999998 110.934 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.8 m -126.35 120.21 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 65.420000000000002 111.147 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.44 HD11 ' CG ' ' A' ' 34' ' ' PHE . 54.4 mt -93.52 133.09 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 111.102 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.45 99.75 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 63.329999999999998 111.156 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 72.239999999999995 110.883 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 64.150000000000006 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 19' ' ' GLU . 26.1 p -107.0 138.69 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 65.010000000000005 111.171 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.79 129.19 55.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 64.040000000000006 110.944 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -113.58 132.61 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.109999999999999 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 30' ' ' PHE . 10.0 mp -106.41 124.56 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.349999999999994 110.9 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' THR . 74.5 mt -127.02 101.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 75.109999999999999 111.181 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.503 HD12 ' H ' ' A' ' 7' ' ' ILE . 5.3 mp -72.6 102.85 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 75.319999999999993 111.049 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -84.91 78.25 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 64.129999999999995 110.86 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.2 164.39 22.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.719 . . . . 55.130000000000003 112.491 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -92.24 -26.57 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 45.119999999999997 110.96 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -90.66 -42.64 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.138 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.768 HD13 HD11 ' A' ' 39' ' ' ILE . 8.7 tt -117.87 149.37 40.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 74.530000000000001 110.909 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.583 ' N ' HD23 ' A' ' 12' ' ' LEU . 12.9 tptp -156.08 128.19 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 110.91 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.73 -170.74 21.46 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.71 -0.757 . . . . 75.420000000000002 112.45 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -166.53 133.79 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 72.230000000000004 110.916 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.2 p -150.41 151.23 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 52.229999999999997 111.092 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 m -160.24 156.71 26.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 74.25 111.138 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.727 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.7 t -171.08 162.41 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 111.136 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' A' ' 2' ' ' THR . 23.2 tt0 -91.01 139.36 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 63.340000000000003 110.827 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -133.42 155.37 49.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 73.010000000000005 111.108 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.3 p -54.05 -39.44 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 63.310000000000002 111.112 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -145.63 -179.85 6.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.040000000000006 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.05 -57.59 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 21.140000000000001 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.23 -43.96 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 52.32 111.136 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -52.8 -38.71 61.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 73.140000000000001 111.194 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.89 -26.43 31.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 54.420000000000002 111.063 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.53 -31.39 66.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 73.040000000000006 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -79.77 -36.35 37.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 110.915 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -73.2 -51.18 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.510000000000005 111.1 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.727 ' CZ ' HG22 ' A' ' 18' ' ' THR . 11.6 m-85 -63.71 -16.85 62.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 54.200000000000003 110.871 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -60.97 -41.01 95.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.450000000000003 110.904 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -87.87 -21.5 24.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 65.450000000000003 110.914 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.496 ' CE1' HG12 ' A' ' 29' ' ' VAL . 2.5 m-85 -51.17 -59.19 4.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.868 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -74.42 -23.22 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.831 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -51.88 -30.23 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 73.450000000000003 110.885 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -57.2 -44.36 83.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 110.926 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -72.25 -18.21 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 70.239999999999995 110.917 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.23 40.3 95.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.030000000000001 112.508 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HD13 ' A' ' 12' ' ' LEU . 51.9 mm -65.02 138.23 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.792 0.329 . . . . 60.340000000000003 111.134 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -110.52 125.32 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 71.319999999999993 110.881 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.87 -145.09 10.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 55.399999999999999 112.505 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -91.34 104.74 17.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 74.129999999999995 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.48 ' O ' HG23 ' A' ' 44' ' ' THR . 43.9 p-90 -108.24 117.58 34.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 75.209999999999994 110.852 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.6 OUTLIER -161.22 165.73 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.208 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -103.63 127.57 51.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 111.015 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -78.16 103.75 8.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.86 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.36 -21.81 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 64.120000000000005 110.9 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 54.350000000000001 111.104 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.5 p -113.09 22.76 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.25 111.183 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.71 47.5 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 110.941 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.2 m -118.76 112.49 19.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.140000000000001 111.138 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -74.93 136.96 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 75.329999999999998 110.883 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 6' ' ' ILE . 30.8 m -154.9 127.4 7.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 65.420000000000002 111.13 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -91.82 141.29 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.078 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.17 99.8 5.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 63.329999999999998 111.206 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.239999999999995 110.881 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.1 tpp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.859 0.361 . . . . 64.150000000000006 110.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.0 p -108.78 131.37 55.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.010000000000005 111.158 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 17' ' ' THR . 6.1 m-85 -104.68 139.25 39.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 64.040000000000006 110.874 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.607 ' HD3' HD11 ' A' ' 6' ' ' ILE . 18.0 ttmm -112.56 109.36 18.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 61.109999999999999 110.878 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.0 116.93 26.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 71.349999999999994 110.856 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.607 HD11 ' HD3' ' A' ' 4' ' ' LYS . 57.6 mt -127.01 124.58 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.111 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.75 110.13 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.319999999999993 111.118 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -95.82 74.36 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 64.129999999999995 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -132.59 157.96 22.81 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 55.130000000000003 112.53 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -78.82 -26.05 44.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.867 0.365 . . . . 45.119999999999997 110.916 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.1 m -66.13 -49.55 67.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 111.217 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 13' ' ' LYS . 2.4 pp -147.36 172.08 14.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.927 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.54 111.76 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.903 179.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.14 -175.38 14.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.666 -0.778 . . . . 75.420000000000002 112.492 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -166.94 127.4 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 72.230000000000004 110.933 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 p -144.61 152.1 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 52.229999999999997 111.141 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 3' ' ' PHE . 2.4 m -150.49 147.6 27.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.25 111.116 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -173.54 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.123 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -81.7 155.25 25.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 63.340000000000003 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -135.33 174.74 10.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 73.010000000000005 111.085 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 25' ' ' THR . 6.4 p -58.01 -39.4 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 63.310000000000002 111.148 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -155.58 155.89 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 72.040000000000006 110.857 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.45 -56.43 21.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 21.140000000000001 111.078 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.48 -25.87 60.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 52.32 111.099 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 HG21 ' CG1' ' A' ' 21' ' ' VAL . 51.6 m -78.0 -33.16 51.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 73.140000000000001 111.138 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -82.09 -25.37 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 54.420000000000002 111.105 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -66.21 -35.72 81.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.863 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -77.77 -32.81 52.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.868 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 25' ' ' THR . 57.9 t -72.9 -52.37 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 73.510000000000005 111.182 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -57.59 -26.61 61.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 54.200000000000003 110.885 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -36.04 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.896 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -87.79 -21.47 25.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 65.450000000000003 110.895 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CE1' HG12 ' A' ' 29' ' ' VAL . 1.5 m-85 -51.17 -59.18 4.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 63.240000000000002 110.915 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -74.31 -23.23 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 110.899 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -52.67 -32.71 43.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 73.450000000000003 110.84 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -55.29 -38.36 68.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 70.329999999999998 110.86 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -72.08 -18.29 61.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 70.239999999999995 110.894 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.0 19.52 45.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.798 -0.715 . . . . 71.030000000000001 112.52 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.88 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 60.340000000000003 111.127 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.38 124.93 47.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.319999999999993 110.856 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 177.5 175.58 44.85 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.754 -0.736 . . . . 55.399999999999999 112.509 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -76.5 90.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 74.129999999999995 110.873 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' O ' HG23 ' A' ' 44' ' ' THR . 68.9 p-90 -89.46 126.67 35.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 75.209999999999994 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -161.27 167.62 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 74.129999999999995 111.178 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -109.96 118.14 35.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 71.140000000000001 110.968 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -72.27 112.16 8.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 75.019999999999996 110.847 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -65.82 -22.81 66.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 64.120000000000005 110.813 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.52 -71.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 54.350000000000001 111.138 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -115.22 24.97 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 72.25 111.114 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.86 33.35 11.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.93 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.9 m -98.68 137.96 36.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.140000000000001 111.127 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -93.03 129.58 38.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 75.329999999999998 110.91 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -133.83 148.32 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 111.121 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.91 106.6 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 75.200000000000003 111.156 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -106.61 109.94 21.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.237 -0.438 . . . . 63.329999999999998 111.096 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.239999999999995 110.881 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 mmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 64.150000000000006 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 19' ' ' GLU . 80.2 p -100.09 130.6 46.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.3 -0.409 . . . . 65.010000000000005 111.2 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 17' ' ' THR . 20.3 m-85 -104.11 156.31 17.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 64.040000000000006 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HD3' HD11 ' A' ' 6' ' ' ILE . 2.9 ttmp? -135.31 124.57 24.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 61.109999999999999 110.811 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 30' ' ' PHE . 3.0 mp -94.27 113.0 24.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 71.349999999999994 110.883 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.687 HD11 ' HD3' ' A' ' 4' ' ' LYS . 47.6 mm -119.18 102.51 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.119 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.739 HG21 HD22 ' A' ' 12' ' ' LEU . 5.4 mp -83.87 112.78 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.319999999999993 111.16 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -87.71 100.02 12.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 64.129999999999995 110.895 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.87 167.29 27.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 55.130000000000003 112.478 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -26.37 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 45.119999999999997 110.938 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -107.24 -46.99 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 75.239999999999995 111.155 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.739 HD22 HG21 ' A' ' 7' ' ' ILE . 10.4 tt -100.2 146.76 26.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.530000000000001 110.93 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -158.67 120.0 3.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.010000000000005 110.903 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -129.01 137.57 9.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 75.420000000000002 112.466 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -136.82 136.78 39.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 72.230000000000004 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -174.61 157.77 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 52.229999999999997 111.116 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 3' ' ' PHE . 4.9 m -158.07 140.79 14.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.25 111.136 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -158.26 159.92 36.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 111.138 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HA ' HG22 ' A' ' 2' ' ' THR . 21.2 tt0 -90.28 155.97 18.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 63.340000000000003 110.878 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.637 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -127.94 -173.58 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 73.010000000000005 111.113 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -86.64 -33.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 63.310000000000002 111.128 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -149.33 163.77 36.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 72.040000000000006 110.907 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.74 -57.29 11.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 21.140000000000001 111.09 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.96 67.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 52.32 111.106 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 53.4 m -77.78 -28.87 50.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 111.116 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.637 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.4 -29.85 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.420000000000002 111.099 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -83.1 -32.38 26.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.238 -0.437 . . . . 73.040000000000006 110.892 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -27.45 62.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.129999999999995 110.87 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' THR . 84.9 t -88.7 -46.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 73.510000000000005 111.07 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CD1' HD11 ' A' ' 5' ' ' LEU . 5.3 m-85 -60.2 -22.8 63.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 54.200000000000003 110.909 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -72.31 -26.49 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.450000000000003 110.946 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -87.83 -21.64 24.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 65.450000000000003 110.896 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -51.44 -59.12 4.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 63.240000000000002 110.971 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -74.36 -23.29 59.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 72.209999999999994 110.896 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -51.96 -40.79 61.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.450000000000003 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.35 -27.16 61.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 70.329999999999998 110.876 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.07 -18.21 61.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 70.239999999999995 110.933 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 60.05 27.61 65.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.778 -0.725 . . . . 71.030000000000001 112.438 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.23 126.26 23.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 60.340000000000003 111.166 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -99.98 125.16 45.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 110.873 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.77 -162.18 34.84 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.68 -0.772 . . . . 55.399999999999999 112.43 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.96 90.91 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.129999999999995 110.857 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' O ' HG23 ' A' ' 44' ' ' THR . 69.7 p-90 -91.17 129.16 37.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 75.209999999999994 110.915 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.8 OUTLIER -160.3 136.64 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 74.129999999999995 111.079 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -107.9 122.51 46.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 110.895 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -88.11 134.56 33.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 75.019999999999996 110.899 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -86.05 -26.39 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.841 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.39 -35.08 69.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.6 t -124.47 -3.17 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 72.25 111.172 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? 58.01 29.94 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.928 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -105.31 147.2 28.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 75.140000000000001 111.156 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.605 ' CE2' HD11 ' A' ' 54' ' ' ILE . 29.0 t80 -110.84 122.71 48.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.329999999999998 110.937 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -124.2 148.98 46.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 65.420000000000002 111.108 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.605 HD11 ' CE2' ' A' ' 52' ' ' PHE . 62.6 mt -132.11 114.06 23.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 111.075 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.04 99.79 11.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 63.329999999999998 111.144 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.239999999999995 110.863 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB2' ' A' ' 23' ' ' ALA . 14.0 ptp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 64.150000000000006 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.733 HG22 ' HA ' ' A' ' 19' ' ' GLU . 23.3 p -105.93 140.82 38.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 65.010000000000005 111.146 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -104.47 129.65 52.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 64.040000000000006 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -105.08 111.92 24.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 61.109999999999999 110.909 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -88.89 109.13 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 71.349999999999994 110.887 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -112.34 100.18 10.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 75.109999999999999 111.135 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' ' 12' ' ' LEU . 7.2 mt -74.5 115.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 75.319999999999993 111.046 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -99.5 115.0 28.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 64.129999999999995 110.908 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.0 161.26 15.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.659 -0.781 . . . . 55.130000000000003 112.407 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -86.66 -25.99 24.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 45.119999999999997 110.862 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -66.27 -49.23 67.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 75.239999999999995 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' ILE . 8.9 tt -138.06 141.43 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.530000000000001 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -135.38 109.03 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.010000000000005 110.953 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.62 145.3 16.65 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.492 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -143.68 124.55 14.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.863 0.363 . . . . 72.230000000000004 110.891 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -161.48 145.29 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 52.229999999999997 111.118 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -126.88 148.3 50.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 74.25 111.142 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 14.8 t -143.91 156.81 44.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 111.081 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.733 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.2 tp10 -84.64 151.73 24.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 63.340000000000003 110.918 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.675 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . . . -142.5 174.43 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 111.112 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.44 -34.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.310000000000002 111.136 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -148.47 177.81 9.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.187 -0.461 . . . . 72.040000000000006 110.854 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . -72.41 -47.72 47.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 21.140000000000001 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.48 91.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 52.32 111.087 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -64.49 -32.51 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 111.14 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 20' ' ' ALA . . . -82.47 -30.99 29.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 54.420000000000002 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -77.17 -43.62 33.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 110.908 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -57.26 -26.74 61.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.918 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 25' ' ' THR . 67.5 t -87.92 -57.05 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.152 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.633 ' HD1' HD12 ' A' ' 5' ' ' LEU . 3.4 m-85 -57.27 -23.88 51.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 54.200000000000003 110.904 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -68.31 -31.89 71.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 74.450000000000003 110.9 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -87.94 -21.57 24.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 65.450000000000003 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -59.19 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.240000000000002 110.937 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -72.61 -23.21 60.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 110.91 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -59.51 -52.93 63.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 73.450000000000003 110.862 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -64.57 -24.41 67.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 70.329999999999998 110.863 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -72.22 -18.19 61.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 110.909 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.71 35.23 46.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.749 . . . . 71.030000000000001 112.498 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.2 mt -91.39 117.3 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 60.340000000000003 111.039 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -102.35 130.5 49.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.319999999999993 110.865 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.91 -160.01 33.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.735 -0.745 . . . . 55.399999999999999 112.463 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -90.5 91.61 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 74.129999999999995 110.887 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' THR . 67.2 p-90 -91.2 127.48 36.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 75.209999999999994 110.925 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.7 OUTLIER -161.36 169.06 22.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 74.129999999999995 111.083 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -111.14 134.46 52.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 71.140000000000001 110.924 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -81.36 135.41 35.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.019999999999996 110.885 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -73.67 -21.02 60.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 64.120000000000005 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.55 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 54.350000000000001 111.108 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.4 p -128.37 35.74 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 72.25 111.197 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 53.71 46.29 26.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 74.109999999999999 110.885 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.7 m -97.11 120.04 36.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.126 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -79.24 130.07 35.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 75.329999999999998 110.906 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -126.36 148.47 49.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 65.420000000000002 111.17 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.3 mt -132.86 98.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.252 -0.431 . . . . 75.200000000000003 111.135 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.4 102.86 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 63.329999999999998 111.147 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.868 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.831 0.348 . . . . 64.150000000000006 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 19' ' ' GLU . 44.6 p -94.43 138.44 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 65.010000000000005 111.117 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -111.23 145.07 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 64.040000000000006 110.918 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.653 ' HE3' HD11 ' A' ' 6' ' ' ILE . 26.9 ttpt -126.49 123.17 37.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 61.109999999999999 110.866 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.587 HD11 ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -96.42 111.13 23.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.349999999999994 110.911 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.653 HD11 ' HE3' ' A' ' 4' ' ' LYS . 34.6 mt -109.57 99.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 111.109 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.74 HG21 HD22 ' A' ' 12' ' ' LEU . 5.0 mp -84.94 109.69 18.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.319999999999993 111.09 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -89.24 86.84 6.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 64.129999999999995 110.904 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.21 158.04 21.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 55.130000000000003 112.483 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -84.03 -28.5 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 45.119999999999997 110.937 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 m -106.61 -27.35 10.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.191 -0.459 . . . . 75.239999999999995 111.099 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.74 HD22 HG21 ' A' ' 7' ' ' ILE . 9.2 tt -119.3 149.02 42.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.530000000000001 110.869 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' N ' HD23 ' A' ' 12' ' ' LEU . 6.1 tptm -159.87 112.04 2.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 73.010000000000005 110.837 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -130.83 134.73 7.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.485 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -142.18 123.88 15.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 72.230000000000004 110.888 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 t -160.8 144.56 13.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 52.229999999999997 111.164 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.0 m -137.82 151.68 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 74.25 111.156 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.3 t -171.34 160.49 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.299999999999997 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.701 ' HA ' HG22 ' A' ' 2' ' ' THR . 4.1 tm-20 -83.49 154.59 23.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.340000000000003 110.881 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.919 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -138.47 -175.46 4.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 73.010000000000005 111.066 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 95.6 t -54.33 -52.17 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 111.105 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -156.86 -176.25 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 72.040000000000006 110.856 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.23 -32.71 66.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 21.140000000000001 111.086 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.91 -22.8 27.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 52.32 111.106 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.546 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.6 m -84.07 -31.56 25.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 111.157 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.919 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -83.16 -23.5 32.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 54.420000000000002 111.125 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.96 -32.37 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 73.040000000000006 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -25.3 53.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 74.129999999999995 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 25' ' ' THR . 95.9 t -88.58 -41.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 73.510000000000005 111.173 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CE1' HD11 ' A' ' 5' ' ' LEU . 4.0 m-85 -65.73 -22.65 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 54.200000000000003 110.82 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -35.15 79.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 74.450000000000003 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -87.8 -21.51 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 65.450000000000003 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -51.24 -59.1 4.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.240000000000002 110.914 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -74.49 -23.02 58.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 72.209999999999994 110.885 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -51.99 -38.25 56.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 73.450000000000003 110.859 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -65.37 -32.87 74.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 70.329999999999998 110.922 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.09 -18.25 61.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 70.239999999999995 110.9 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.64 32.94 83.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.686 -0.769 . . . . 71.030000000000001 112.539 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.4 107.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.814 0.34 . . . . 60.340000000000003 111.146 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.23 126.14 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 71.319999999999993 110.846 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.1 -153.13 23.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 55.399999999999999 112.537 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -94.37 90.89 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.352 . . . . 74.129999999999995 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' O ' HG23 ' A' ' 44' ' ' THR . 67.5 p-90 -91.92 127.21 37.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 75.209999999999994 110.958 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 43' ' ' TRP . 0.9 OUTLIER -158.99 140.48 13.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 111.179 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -112.68 115.94 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 110.983 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.03 132.83 42.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 75.019999999999996 110.846 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -87.87 -26.51 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 64.120000000000005 110.905 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.62 -35.36 72.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 54.350000000000001 111.158 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 t -122.12 -6.01 8.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.452 . . . . 72.25 111.163 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt 63.34 29.31 15.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.896 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.9 m -106.28 140.85 38.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 111.135 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -105.14 121.85 44.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.329999999999998 110.869 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 m -126.67 153.88 44.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.504 . . . . 65.420000000000002 111.15 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.63 144.06 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 111.098 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.63 99.85 4.93 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 111.174 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.239999999999995 110.888 179.991 . . . . . . . . 0 0 . 1 stop_ save_