data_2gji_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 2gji _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.818 0.342 . . . . 74.32 111.171 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -146.36 118.93 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.43 141.85 51.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.91 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -151.05 131.77 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.143 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -102.54 40.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.88 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 167.15 8.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.052 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -52.29 157.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.829 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -150.21 165.05 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.847 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 mt -102.48 144.1 31.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 71.2 110.918 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -123.74 137.69 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.897 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.81 124.77 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.04 111.115 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.01 -121.15 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 75.31 112.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -130.36 29.29 4.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 71.5 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.47 67.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.68 140.28 42.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.126 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -67.02 -16.71 64.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -3.33 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.876 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.93 -34.4 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.911 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.94 -45.32 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.66 -43.08 85.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.872 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.27 -45.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.23 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.4 mmt -73.62 -38.02 65.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.855 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -29.05 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -55.56 -23.95 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.163 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -102.95 113.07 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.54 -27.88 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.91 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.3 m -59.3 -28.08 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.174 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.45 130.75 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.144 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -105.77 -42.95 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.837 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.86 167.03 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.51 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.76 150.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 75.24 111.097 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -143.31 135.22 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 148.91 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.55 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 118.27 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.834 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.93 -37.88 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.84 -44.44 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.904 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -127.63 114.58 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.867 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 -20.83 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.827 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -91.39 14.45 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.835 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.75 132.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.145 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -132.71 138.55 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 71.43 110.898 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ptp -105.47 118.89 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 74.51 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -97.69 125.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 65.01 111.137 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.71 112.21 24.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.3 mt -76.07 162.07 28.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.91 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.13 132.64 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 63.31 110.891 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -54.23 107.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 71.12 110.888 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.68 -19.26 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 65.03 112.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 m -90.64 166.4 13.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 65.12 110.844 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -140.41 113.84 8.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 72.13 111.161 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.22 95.05 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.96 142.9 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.128 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.84 104.29 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.903 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.09 -25.27 63.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.32 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.25 27.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 73.52 112.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.8 -158.85 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 70.1 112.498 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.9 mm -78.85 -23.06 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 65.32 111.151 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.07 -45.63 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.913 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.82 -32.88 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 tp -71.04 -36.38 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.0 -33.94 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.913 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.88 -65.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.925 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 t -69.5 -24.97 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.138 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.02 31.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.756 . . . . 72.34 112.473 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.45 127.41 31.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 74.52 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.7 m -75.96 -21.48 56.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.52 110.877 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -65.03 -23.36 67.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 71.3 111.17 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 115.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -130.2 162.24 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 64.31 110.929 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 133.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.131 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.26 153.62 81.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.34 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 74.34 112.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.03 121.82 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 65.3 111.105 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.816 0.341 . . . . 72.12 111.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -146.96 118.96 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.03 137.56 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.42 110.885 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.2 t -147.23 122.51 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.42 111.145 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -93.03 43.71 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.09 168.02 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 64.32 111.085 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -51.63 158.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.45 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -153.41 164.46 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.841 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.48 156.87 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.05 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -133.58 131.44 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.67 125.09 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 64.04 111.134 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.94 -138.53 2.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 52.12 112.452 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -98.82 17.64 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 73.32 110.878 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.6 t0 51.36 57.61 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.11 110.848 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.77 140.49 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.17 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -67.24 -16.96 64.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 62.34 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -84.99 4.29 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -57.29 -34.87 69.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.884 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.75 -45.98 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -66.47 -47.63 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.915 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.34 -43.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.41 111.171 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.4 mmm -73.44 -38.12 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 72.34 110.86 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -27.69 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 p -55.29 -23.88 25.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.144 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.67 113.18 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.6 -27.48 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.2 p -58.66 -29.16 66.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.29 109.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.132 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.97 -38.76 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.32 165.15 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.03 111.128 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.18 151.26 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -145.41 135.35 23.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 71.13 110.881 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 168.4 15.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.881 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -108.52 111.5 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 64.25 110.805 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.6 -32.12 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.55 -38.7 62.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.942 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.77 115.39 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.924 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.36 -21.14 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 75.01 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -95.51 25.7 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -136.65 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.141 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -135.96 145.48 46.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 53.44 110.943 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 118.84 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.11 110.915 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 t -95.45 128.08 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.136 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 100.0 m -97.93 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.9 mt -78.06 142.97 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.931 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -53.44 158.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.921 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.45 103.5 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.55 110.956 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.66 -34.43 5.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 63.44 112.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -64.42 164.6 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 72.23 110.864 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -140.35 118.35 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.7 98.49 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.97 143.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.125 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.9 mt -118.4 104.33 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 72.43 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.62 -36.99 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.896 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.15 -19.8 32.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 52.41 112.468 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.72 -154.81 21.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 72.3 112.51 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm -78.3 -23.14 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 74.02 111.137 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -61.1 -45.38 94.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.85 -33.59 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.18 -35.84 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.897 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -63.46 -46.17 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.09 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -67.82 -26.13 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 54.41 111.112 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.33 -13.28 54.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 72.34 112.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.78 102.69 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.341 . . . . 75.42 110.863 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 t -68.31 -19.73 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.904 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.9 p -94.86 24.64 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 74.3 111.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.9 118.29 21.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -120.58 154.26 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.11 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.34 128.03 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.124 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.26 158.52 68.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 73.43 110.877 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.45 9.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 74.42 112.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.8 124.19 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.899 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 71.04 111.15 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.797 0.332 . . . . 71.54 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -136.64 118.57 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.39 132.93 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -140.84 123.28 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.111 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -95.15 44.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.888 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.28 169.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 72.04 111.069 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -51.62 156.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.55 158.41 44.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -102.65 144.74 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 138.63 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.1 t -124.61 124.79 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.52 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.82 -141.59 3.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 74.44 112.484 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -99.27 22.56 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 72.21 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 51.7 55.78 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -82.42 140.83 33.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.128 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.33 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -78.08 -2.17 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.817 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -55.8 -34.11 65.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.32 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.22 -46.09 65.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 60.22 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -66.87 -43.1 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.15 110.879 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.64 -45.09 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.105 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 mmt -73.57 -35.1 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -23.14 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.88 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.3 p -52.0 -28.98 18.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.12 111.089 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.93 120.69 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.23 -26.61 40.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.5 m -53.86 -29.75 42.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.133 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.53 104.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -77.62 -42.62 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 168.0 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 73.34 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.07 150.55 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.12 111.093 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -142.83 135.45 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.888 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 163.17 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.24 119.3 38.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.857 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.72 -28.9 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.907 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -36.91 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.88 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -131.84 118.4 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.868 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.57 -23.0 64.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -95.67 30.8 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.19 134.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.192 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -139.54 141.2 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.903 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.5 ptp -113.2 118.74 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 70.22 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.24 127.37 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -98.85 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 64.32 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.0 mt -81.8 146.41 29.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.885 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -64.37 133.17 52.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.848 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -51.99 117.71 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.82 -19.95 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 62.2 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 m -91.89 161.89 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 64.55 110.83 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -142.28 122.09 13.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 64.03 111.14 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.05 104.79 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.98 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 111.125 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -110.84 104.93 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.957 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -66.08 -29.97 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.7 -14.83 14.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 74.33 112.489 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.86 -160.3 21.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 74.44 112.488 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.8 mm -78.48 -21.94 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 75.15 111.149 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.51 -45.66 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.881 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -32.8 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 75.43 110.867 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.8 tp -71.16 -35.8 71.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.3 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -64.45 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -40.22 93.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.5 -69.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.871 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -63.25 -28.19 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 73.21 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 1.29 63.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 61.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.07 112.66 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 73.04 110.834 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -68.72 -24.75 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.901 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -15.49 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 72.45 111.183 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.56 113.25 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -133.96 148.29 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 73.51 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.36 133.11 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 71.45 111.097 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.72 153.51 79.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 64.24 110.945 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 72.04 112.387 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 ttt -54.1 127.23 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.54 110.865 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.12 111.134 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.807 0.337 . . . . 65.23 111.167 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.89 118.95 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.21 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.46 137.96 54.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.922 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -150.88 131.63 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.22 111.139 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.86 32.09 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.823 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.21 166.23 30.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.34 111.113 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.05 156.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.851 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.78 159.8 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -102.33 154.01 19.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.94 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.37 145.68 51.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.71 124.94 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.174 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.93 -135.99 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 73.02 112.495 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.13 22.91 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 72.43 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 58.27 56.47 4.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.853 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.47 140.87 43.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.17 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -66.54 -17.15 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.868 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -92.03 14.45 15.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.848 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -57.72 -40.63 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 71.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.13 -40.76 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -64.96 -47.65 76.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.923 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.92 -42.46 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 61.5 111.153 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.7 -37.92 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.891 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.52 -28.65 60.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -55.5 -23.76 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 73.34 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.77 114.34 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.58 -27.46 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.864 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -59.09 -31.41 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.174 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.38 134.1 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.118 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -112.9 -41.37 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.903 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.96 164.74 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 62.13 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.91 150.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.122 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -145.52 135.33 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 72.45 110.898 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.915 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -90.18 119.08 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.37 -36.23 83.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 71.43 110.853 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.21 -38.96 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -130.84 116.38 17.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.57 -20.85 64.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.866 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -94.99 30.15 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -141.62 143.6 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.098 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -141.62 136.88 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 ptp -102.86 122.14 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.87 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -99.1 124.47 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 70.12 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.06 111.64 23.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.843 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.36 155.58 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.943 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -71.62 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.84 109.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.41 110.934 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.72 1.82 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 75.33 112.512 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -111.07 166.88 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 63.03 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.7 m -140.64 112.3 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.128 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -75.45 97.96 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.05 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.05 143.27 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 70.34 111.134 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.3 mt -118.89 104.28 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -65.92 -31.39 72.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.899 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.62 -12.45 37.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 64.33 112.507 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.92 -157.02 25.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 71.12 112.445 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.3 mm -78.89 -23.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 63.43 111.097 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.17 -45.58 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -65.95 -32.85 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.46 -41.23 84.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.928 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -59.07 -40.39 85.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.857 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.02 -34.92 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.64 -74.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -62.73 -24.18 67.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.132 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.37 31.39 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 74.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.73 118.94 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.45 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -77.57 -20.83 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.911 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.9 p -85.99 5.69 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 75.41 111.164 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.41 113.26 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.905 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.32 160.07 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.892 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.2 mt -126.09 133.17 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.124 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -130.62 153.56 81.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 73.44 110.912 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.281 . . . . 71.14 112.354 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.3 tpt -64.35 145.5 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 72.31 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.141 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.352 . . . . 65.11 111.152 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -145.74 122.94 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.845 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.6 135.02 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 75.42 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -139.16 126.38 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.157 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.07 37.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 75.54 110.902 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.89 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 71.04 111.083 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.68 160.19 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.897 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -151.64 156.99 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.52 148.66 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -121.34 137.26 54.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.946 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.08 125.77 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.03 111.076 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 -140.1 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.2 112.484 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.24 16.12 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 74.42 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.7 t0 51.99 73.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.31 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -110.58 150.17 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 61.21 111.173 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.1 t -67.05 -15.87 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 62.54 110.898 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -75.9 -21.72 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.72 -36.99 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.931 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -70.01 -48.03 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 75.24 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.84 -47.6 80.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.884 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.76 -36.63 74.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.136 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.1 mmt -75.13 -37.29 61.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.909 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -13.07 61.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.867 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 t -52.83 -26.46 14.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.51 111.168 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.88 129.86 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.25 -27.1 32.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -51.66 -35.52 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 73.45 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.58 117.66 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 64.22 111.13 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -84.53 -46.65 11.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 64.11 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.15 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 71.15 111.09 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.6 t -131.91 144.73 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.05 111.114 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -140.1 135.24 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 170.05 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.916 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.69 116.58 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 50.13 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.05 -26.08 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 73.43 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.41 -50.38 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.908 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.9 128.57 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.1 -22.43 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -95.81 29.43 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.835 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.8 132.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 70.34 111.13 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -137.29 130.48 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.22 118.94 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.899 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.76 113.13 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.4 111.148 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 m -90.95 111.29 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -81.53 154.98 25.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.3 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.61 136.28 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.895 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -59.2 109.59 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.3 4.17 29.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.445 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -111.84 165.8 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 73.1 110.876 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.8 m -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.166 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.27 101.54 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.898 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -106.0 143.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 64.14 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -118.48 104.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.908 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -55.99 -28.49 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.888 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.54 -5.83 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 63.14 112.535 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 -154.69 35.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 74.33 112.492 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.6 mm -78.7 -23.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 72.32 111.123 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -61.44 -45.75 92.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -33.15 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.873 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.57 -41.89 79.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.12 110.915 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -59.05 -41.23 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.53 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.24 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.78 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 t -55.6 -27.2 48.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.38 30.28 9.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.493 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -138.35 123.76 19.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 64.55 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.7 m -80.33 -24.47 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.05 -18.12 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 74.41 111.143 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.43 115.81 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.927 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.01 154.54 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.879 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.7 mt -119.64 131.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 71.45 111.113 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.55 154.81 54.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 75.01 110.888 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 71.34 112.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -63.49 138.9 58.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.0 111.082 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 74.32 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -143.44 119.42 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.92 134.63 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.89 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -141.32 127.86 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.04 111.149 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -97.73 36.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.89 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.57 168.95 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.087 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.96 158.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -151.64 161.4 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.862 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.97 154.82 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -130.56 129.16 42.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -117.93 124.84 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 63.34 111.145 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.54 -132.16 1.33 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.34 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -106.02 20.46 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 65.14 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 51.67 63.73 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.842 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 140.86 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.153 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 t -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.825 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.64 6.96 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.842 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.92 -39.06 71.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.91 -40.93 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.27 -47.46 76.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.2 -42.88 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.111 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mmt -73.18 -37.93 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -54.36 -28.5 43.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.5 p -58.41 -21.49 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.73 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.11 110.875 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.91 -27.8 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.15 110.847 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 p -59.31 -29.71 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 73.24 111.13 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.18 123.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 62.43 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.63 -41.23 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.41 164.43 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 70.21 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.99 150.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 73.2 111.109 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -142.96 135.22 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 159.01 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -98.54 107.79 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.846 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.74 -27.96 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 mt -78.74 -37.75 40.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.943 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -131.78 116.03 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.844 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.93 -22.71 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 75.42 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -95.74 30.34 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.884 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.8 t -140.71 131.93 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.71 137.36 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.907 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.51 118.93 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.04 110.824 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.69 123.83 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 70.42 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -97.08 117.32 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.94 152.43 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -61.01 179.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.915 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 118.32 30.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.93 15.45 59.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 74.4 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 m -112.42 165.3 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 75.33 110.875 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -141.48 117.82 10.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 74.55 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.15 97.45 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.836 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.98 142.9 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.14 111.132 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.74 104.4 11.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.06 -26.06 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.855 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.52 -1.15 34.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 71.24 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.73 -159.2 43.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 71.21 112.475 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.59 -23.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 72.52 111.152 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.09 -43.69 91.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.33 110.839 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.81 -32.87 74.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.861 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.29 -34.68 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.925 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -57.88 -50.39 73.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.27 -34.17 77.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.68 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.941 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 t -60.23 -26.71 66.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.42 111.142 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.51 34.0 5.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 74.31 112.495 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.5 137.53 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 75.33 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -91.66 14.37 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.89 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -110.48 -16.95 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.43 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.5 116.25 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -131.8 148.91 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.13 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.15 133.05 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.55 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.21 153.58 71.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.22 110.91 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.97 9.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 74.1 112.379 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -72.1 136.88 46.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 62.22 111.101 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 71.23 111.19 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -143.63 118.85 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.32 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -118.51 131.69 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -135.98 120.19 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.41 111.166 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.16 43.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.875 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.31 167.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.35 111.077 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.82 155.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -146.69 164.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -102.48 142.98 32.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 70.14 110.93 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -120.31 130.74 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.931 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.52 124.85 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.131 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.91 -131.91 1.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 64.44 112.478 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.54 26.07 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 71.11 110.858 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 53.1 66.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 140.6 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.42 111.089 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -17.12 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.44 110.829 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -100.2 14.75 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.864 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -55.77 -34.26 65.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.924 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -50.57 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.37 -42.72 99.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 74.5 110.923 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.51 -45.31 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.12 111.129 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.5 mmt -74.87 -35.54 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.912 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.49 -24.58 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.871 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -52.1 -26.65 11.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.154 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.25 121.59 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 73.04 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.77 -27.83 31.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.882 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -52.74 -36.01 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.166 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.5 132.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.14 111.126 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.37 -43.0 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.25 161.7 39.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.078 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -131.92 143.15 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -140.73 135.26 31.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 151.56 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.15 110.892 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -88.97 117.31 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.04 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -63.67 -34.31 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.903 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.72 -41.1 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -126.7 115.87 20.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 55.33 110.828 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 -23.51 65.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -95.53 30.73 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.855 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.95 141.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.25 111.134 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.64 135.51 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 70.22 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.44 119.08 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 74.52 110.855 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.9 115.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.24 111.162 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.7 m -92.92 110.28 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.58 148.58 35.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.921 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -58.12 152.9 15.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.944 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -64.99 110.0 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 74.35 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.11 14.06 43.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 73.2 112.472 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -109.76 161.56 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 71.45 110.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.7 m -144.99 117.35 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.162 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.4 105.27 8.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -106.19 131.86 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.54 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.0 103.99 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -66.07 -31.2 71.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.859 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.14 -8.48 33.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 75.23 112.486 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.59 -160.5 27.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 74.35 112.522 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.61 -23.33 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 74.01 111.113 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -33.19 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.896 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.73 -35.09 79.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.936 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -64.23 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.54 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.96 -36.2 83.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.943 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -51.74 -64.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.896 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -73.91 -25.59 60.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 61.11 111.188 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.75 30.21 10.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 73.22 112.489 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.24 114.72 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.33 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 m -69.35 -26.09 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.885 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -69.22 -16.93 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.107 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.15 111.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 64.05 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.25 158.92 36.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -118.57 132.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 111.162 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -127.48 153.59 77.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 74.24 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.8 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 72.32 112.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.7 tpt -72.67 116.08 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.1 110.932 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 72.32 111.122 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.867 0.365 . . . . 73.33 111.134 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -133.02 121.94 23.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.19 136.95 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -142.66 131.33 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.04 111.152 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -102.77 37.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.9 165.0 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 74.14 111.09 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.89 155.14 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.846 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -149.06 160.6 43.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -102.34 140.77 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 73.15 110.92 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -118.8 136.07 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 70.24 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -126.62 124.73 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.178 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.33 -123.01 1.73 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 70.01 112.519 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -122.77 23.27 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 75.4 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.8 52.87 5.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.879 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 p -76.59 140.16 40.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.151 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -67.64 -17.21 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.861 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 mtm-85 -92.33 14.38 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 73.32 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -59.62 -35.98 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.877 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.12 -43.21 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.864 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.28 -45.14 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.11 110.87 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.31 -44.34 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.11 111.09 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.2 mmt -73.78 -37.3 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.898 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -29.55 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.91 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.8 p -55.47 -23.22 24.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 71.21 111.137 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.89 119.17 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.46 -15.17 60.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.822 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 m -73.39 -26.21 60.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 65.03 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -70.27 142.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 71.31 111.15 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -120.33 -39.42 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.23 153.44 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.13 148.21 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.117 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -143.73 135.49 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 159.46 30.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.872 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.93 115.15 28.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.849 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.79 -33.54 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 70.42 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.65 -52.48 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.899 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -131.77 112.47 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.51 -20.87 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -76.64 -5.06 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -112.23 136.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.146 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.03 130.71 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.02 118.77 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.13 110.89 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -98.23 112.34 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.42 111.171 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.85 110.9 22.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 64.1 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -72.23 163.33 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.928 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -72.35 179.32 3.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.893 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -93.6 114.96 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.35 12.27 54.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 73.42 112.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -112.72 166.52 11.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.958 0.409 . . . . 73.52 110.853 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.5 m -139.7 123.65 17.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 74.34 111.098 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -84.71 96.33 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.906 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.0 143.65 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.42 111.091 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.46 104.3 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.946 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.13 -9.13 20.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 75.01 112.491 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.96 -149.77 28.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 54.14 112.47 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.69 -23.39 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 75.35 111.154 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -45.7 93.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.24 110.868 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -33.02 68.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.912 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.82 -35.39 79.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 74.1 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.39 -40.48 95.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.93 -34.42 78.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.957 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.24 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -68.06 -25.36 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 70.43 111.099 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.56 28.77 15.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 61.13 112.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -135.49 114.1 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 75.35 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -65.72 -25.7 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 61.53 110.886 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -67.28 -16.92 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.131 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.27 116.07 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.04 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.19 150.05 51.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.4 mt -110.65 132.92 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.22 111.156 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -130.07 153.53 81.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 72.52 110.89 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 114.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 72.01 112.352 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.72 131.24 45.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.934 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.128 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.837 0.351 . . . . 74.41 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -146.47 118.98 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -123.02 138.26 54.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 73.41 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -146.38 127.8 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.163 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.95 39.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.11 169.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.103 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -51.78 164.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.838 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -156.23 161.08 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.858 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -102.52 154.34 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.14 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.36 146.54 52.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.925 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.93 124.82 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.31 111.133 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.79 -131.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 65.44 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -123.6 25.9 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 63.55 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 54.15 75.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.857 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -106.77 140.96 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.11 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -24.89 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.882 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -76.85 -10.49 59.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.24 110.869 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.37 -44.78 80.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.54 -44.52 90.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.896 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.43 -47.45 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.0 t -57.46 -42.88 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.113 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.37 -35.77 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -33.69 72.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -56.45 -23.71 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.142 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.36 113.4 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -53.63 -28.07 30.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 71.3 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -30.79 71.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.33 111.158 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -72.9 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.156 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -97.29 -43.19 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.5 169.62 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.132 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.38 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 71.14 111.126 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -143.26 135.41 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.03 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 142.17 30.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.45 110.854 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -81.12 113.01 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 72.52 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.01 -29.88 68.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.33 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.82 -45.55 67.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.916 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.77 122.37 28.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 53.44 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.31 -22.35 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.34 110.825 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -95.54 32.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 75.43 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -141.57 132.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.27 139.51 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.939 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptp -109.25 118.93 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -93.74 127.07 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 74.05 111.104 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.42 109.42 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.13 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -75.54 157.76 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.912 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -72.3 134.58 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.918 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.82 111.38 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.91 2.95 30.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -111.53 169.27 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 75.43 110.869 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -141.1 115.03 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 65.42 111.161 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.44 97.49 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.858 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.5 t -105.97 143.68 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.24 111.166 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -119.31 104.36 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.933 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -60.45 -41.83 94.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.17 -25.65 23.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 70.35 112.461 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.0 -153.04 18.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 74.45 112.509 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.9 mm -78.24 -23.49 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 73.52 111.098 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.45 -45.36 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.45 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.95 -33.65 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.873 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.6 tp -69.62 -37.49 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.899 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.67 -40.12 92.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -35.04 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.75 -68.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -70.71 -24.05 62.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.4 111.163 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 43.25 5.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 44.32 112.485 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.85 114.08 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 72.03 110.803 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -69.01 -25.31 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.45 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -65.11 -23.78 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.14 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.08 110.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -123.05 161.22 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.89 133.15 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 74.23 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.68 153.66 79.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 71.51 110.968 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 75.53 112.35 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.56 121.08 15.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.844 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 64.13 111.146 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 52.44 111.155 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -146.92 118.92 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -122.72 135.96 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.875 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -137.27 122.31 19.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -92.84 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.814 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.08 166.13 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.089 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -52.06 158.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.866 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -147.64 172.57 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.897 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -106.79 157.48 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.946 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.42 132.7 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.92 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.55 125.2 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.71 -138.26 2.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 75.43 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -97.87 25.93 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.13 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.59 42.8 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.24 149.86 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 64.4 111.129 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 m -67.31 -15.92 63.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 70.34 110.863 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -77.7 -22.08 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 72.32 110.881 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.95 -44.93 94.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.922 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.09 -38.06 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.906 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -66.89 -47.62 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.56 -39.19 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.13 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.1 mmt -73.14 -33.75 65.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.912 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -57.84 -22.33 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.114 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.2 117.44 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -53.65 -30.38 42.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -66.27 -29.79 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.13 111.177 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -79.1 132.61 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.121 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -103.23 -45.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.91 150.33 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.43 142.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.085 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -137.96 135.41 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 158.13 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.21 110.929 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.37 112.89 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -53.57 -31.55 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 70.14 110.859 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.05 -46.9 61.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.35 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -131.36 124.78 31.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 60.11 110.88 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.58 -20.64 64.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.81 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -94.99 29.0 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -141.73 132.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.01 111.14 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.9 128.42 42.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.879 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.47 118.68 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.51 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -100.0 113.73 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.4 111.179 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 m -93.25 112.87 24.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -77.62 173.35 12.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.942 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -88.89 179.3 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.912 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -91.96 114.13 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.12 -18.9 38.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 75.42 112.508 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 m -91.26 164.08 14.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.957 0.408 . . . . 64.25 110.882 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.8 m -145.17 132.65 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 73.52 111.114 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -88.06 96.75 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.848 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -106.0 142.99 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.1 mt -114.27 104.38 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.904 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -63.8 -26.39 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 53.14 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.73 22.99 9.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 25.25 112.524 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.79 -155.51 53.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.755 . . . . 72.22 112.514 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.76 -23.18 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 74.23 111.152 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.28 -45.46 94.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 64.31 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -32.9 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.896 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.01 -42.92 68.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.961 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.26 -40.2 95.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.932 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.47 -35.18 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.908 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.69 -71.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -61.94 -26.73 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.03 111.154 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.77 21.06 32.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 53.14 112.463 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.1 121.27 32.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 52.44 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -80.28 -2.23 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.1 p -88.07 -22.9 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 74.44 111.107 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.69 121.42 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 70.41 110.931 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.07 151.87 50.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.902 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.71 132.17 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.135 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -129.63 153.6 80.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 73.33 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 74.14 112.393 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -65.82 128.08 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.865 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 75.43 111.134 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 74.42 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.03 33.96 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.53 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.85 153.1 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.171 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -146.36 118.93 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.43 141.85 51.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.91 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -151.05 131.77 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.143 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -102.54 40.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.88 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 167.15 8.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.052 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -52.29 157.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.829 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -150.21 165.05 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.847 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 mt -102.48 144.1 31.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 71.2 110.918 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -123.74 137.69 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.897 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.81 124.77 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.04 111.115 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.01 -121.15 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 75.31 112.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -130.36 29.29 4.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 71.5 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.47 67.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.68 140.28 42.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.126 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -67.02 -16.71 64.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.48 -3.33 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.876 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.93 -34.4 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.911 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.94 -45.32 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -66.66 -43.08 85.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.872 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.27 -45.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.23 111.123 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 8.4 mmt -73.62 -38.02 65.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.855 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -29.05 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.0 p -55.56 -23.95 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.163 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -102.95 113.07 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.54 -27.88 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.91 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.3 m -59.3 -28.08 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.174 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.9 t -71.45 130.75 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.144 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -105.77 -42.95 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.837 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.86 167.03 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.51 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.76 150.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 75.24 111.097 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -143.31 135.22 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 148.91 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.55 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 118.27 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 73.1 110.834 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.93 -37.88 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.84 -44.44 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.904 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -127.63 114.58 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.867 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 -20.83 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.827 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -91.39 14.45 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.835 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -126.75 132.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.42 111.145 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -132.71 138.55 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 71.43 110.898 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ptp -105.47 118.89 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 74.51 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -97.69 125.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 65.01 111.137 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.71 112.21 24.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 57.3 mt -76.07 162.07 28.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.91 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.13 132.64 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 63.31 110.891 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -54.23 107.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 71.12 110.888 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.68 -19.26 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 65.03 112.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 m -90.64 166.4 13.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 65.12 110.844 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.0 m -140.41 113.84 8.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 72.13 111.161 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -77.22 95.05 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.852 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.0 t -105.96 142.9 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.128 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.7 mt -116.84 104.29 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.903 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.09 -25.27 63.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.32 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.25 27.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 73.52 112.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.8 -158.85 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 70.1 112.498 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.9 mm -78.85 -23.06 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 65.32 111.151 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.07 -45.63 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.913 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.82 -32.88 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.23 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.8 tp -71.04 -36.38 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.0 -33.94 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.913 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.88 -65.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 75.11 110.925 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 t -69.5 -24.97 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.138 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.02 31.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.756 . . . . 72.34 112.473 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.45 127.41 31.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 74.52 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.7 m -75.96 -21.48 56.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.52 110.877 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -65.03 -23.36 67.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 71.3 111.17 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 tt -51.86 115.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.919 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -130.2 162.24 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 64.31 110.929 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 53.5 mt -126.81 133.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 74.14 111.131 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.26 153.62 81.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.34 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 74.34 112.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.03 121.82 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mt -88.91 130.84 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 65.3 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.5 133.24 63.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 72.32 111.112 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.41 53.48 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 73.15 112.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.2 t -107.99 148.46 29.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.3 111.201 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 p -101.1 109.33 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 71.3 111.128 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 75.42 110.886 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.9 mtp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.777 0.322 . . . . 73.51 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.59 60.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 111.103 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -52.12 158.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 72.12 111.162 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -146.96 118.96 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.887 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.03 137.56 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.42 110.885 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.2 t -147.23 122.51 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 73.42 111.145 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -93.03 43.71 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.09 168.02 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 64.32 111.085 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -51.63 158.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.45 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -153.41 164.46 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.841 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.48 156.87 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.05 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -133.58 131.44 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.92 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.67 125.09 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 64.04 111.134 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.94 -138.53 2.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 52.12 112.452 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -98.82 17.64 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 73.32 110.878 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.6 t0 51.36 57.61 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.11 110.848 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.77 140.49 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.17 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -67.24 -16.96 64.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 62.34 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -84.99 4.29 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.853 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -57.29 -34.87 69.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.884 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.75 -45.98 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -66.47 -47.63 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.915 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.34 -43.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.41 111.171 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 82.4 mmm -73.44 -38.12 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 72.34 110.86 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -27.69 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 p -55.29 -23.88 25.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.144 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.67 113.18 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.6 -27.48 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.2 p -58.66 -29.16 66.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.119 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.29 109.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.132 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.97 -38.76 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.32 165.15 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.03 111.128 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.18 151.26 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -145.41 135.35 23.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 71.13 110.881 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 168.4 15.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.881 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -108.52 111.5 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 64.25 110.805 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.6 -32.12 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.55 -38.7 62.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.942 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -131.77 115.39 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.924 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.36 -21.14 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 75.01 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -95.51 25.7 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -136.65 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.141 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -135.96 145.48 46.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 53.44 110.943 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 118.84 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.11 110.915 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.9 t -95.45 128.08 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.136 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 100.0 m -97.93 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.9 mt -78.06 142.97 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.931 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -53.44 158.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.921 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.45 103.5 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.55 110.956 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.66 -34.43 5.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 63.44 112.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.8 m -64.42 164.6 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 72.23 110.864 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -140.35 118.35 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 72.41 111.161 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.7 98.49 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -105.97 143.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.125 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.9 mt -118.4 104.33 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 72.43 110.895 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.62 -36.99 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.896 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.15 -19.8 32.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 52.41 112.468 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.72 -154.81 21.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 72.3 112.51 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.8 mm -78.3 -23.14 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 74.02 111.137 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -61.1 -45.38 94.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.85 -33.59 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 75.24 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.18 -35.84 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.897 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -63.46 -46.17 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.09 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -67.82 -26.13 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 54.41 111.112 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.33 -13.28 54.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 72.34 112.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.78 102.69 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.341 . . . . 75.42 110.863 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 t -68.31 -19.73 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.904 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.9 p -94.86 24.64 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 74.3 111.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 tt -79.9 118.29 21.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.89 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -120.58 154.26 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.11 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.7 mt -127.34 128.03 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.124 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.26 158.52 68.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 73.43 110.877 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.45 9.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 74.42 112.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.8 124.19 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 71.42 110.899 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt -87.25 133.77 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 71.04 111.15 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.32 133.25 60.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.7 . . . . 62.23 111.14 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 120.64 7.4 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.678 2.252 . . . . 70.34 112.317 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 135.45 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 74.45 111.137 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -66.76 131.51 46.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 65.31 111.112 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.949 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 74.24 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.14 52.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 73.31 111.148 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -52.32 147.03 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 71.54 111.124 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -136.64 118.57 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.854 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -119.39 132.93 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.898 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.3 t -140.84 123.28 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 71.44 111.111 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -95.15 44.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.888 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.28 169.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 72.04 111.069 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -51.62 156.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -148.55 158.41 44.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -102.65 144.74 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 138.63 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 73.0 110.932 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.1 t -124.61 124.79 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.52 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.82 -141.59 3.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 74.44 112.484 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -99.27 22.56 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 72.21 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 51.7 55.78 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -82.42 140.83 33.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.128 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.33 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -78.08 -2.17 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.817 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -55.8 -34.11 65.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.32 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.22 -46.09 65.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 60.22 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -66.87 -43.1 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.15 110.879 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.64 -45.09 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.15 111.105 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.0 mmt -73.57 -35.1 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -23.14 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.88 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.3 p -52.0 -28.98 18.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 72.12 111.089 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.93 120.69 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 75.03 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.23 -26.61 40.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.5 m -53.86 -29.75 42.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.133 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.0 t -70.53 104.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 73.53 111.124 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -77.62 -42.62 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 168.0 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 73.34 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.07 150.55 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.12 111.093 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -142.83 135.45 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.888 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 163.17 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.24 119.3 38.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.857 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.72 -28.9 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.907 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -36.91 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.88 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -131.84 118.4 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.868 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.57 -23.0 64.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -95.67 30.8 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.19 134.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.192 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -139.54 141.2 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.903 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.5 ptp -113.2 118.74 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 70.22 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.5 t -95.24 127.37 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -98.85 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 64.32 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.0 mt -81.8 146.41 29.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.885 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -64.37 133.17 52.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.848 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -51.99 117.71 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.82 -19.95 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 62.2 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.6 m -91.89 161.89 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 64.55 110.83 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -142.28 122.09 13.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 64.03 111.14 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.05 104.79 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 71.12 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.19 138.98 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.04 111.125 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -110.84 104.93 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.957 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -66.08 -29.97 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.7 -14.83 14.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 74.33 112.489 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.86 -160.3 21.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 74.44 112.488 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.8 mm -78.48 -21.94 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 75.15 111.149 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.51 -45.66 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.881 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -32.8 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 75.43 110.867 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.8 tp -71.16 -35.8 71.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.3 110.892 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -64.45 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -40.22 93.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.5 -69.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.871 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.8 t -63.25 -28.19 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 73.21 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 1.29 63.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 61.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.07 112.66 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 73.04 110.834 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -68.72 -24.75 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.901 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -15.49 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 72.45 111.183 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 tt -59.56 113.25 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -133.96 148.29 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 73.51 110.914 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.1 mt -106.36 133.11 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 71.45 111.097 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.72 153.51 79.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 64.24 110.945 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 72.04 112.387 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 ttt -54.1 127.23 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.54 110.865 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.75 128.72 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.12 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.52 133.34 21.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 63.13 111.16 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.12 17.31 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.708 2.272 . . . . 74.35 112.36 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 m -98.54 130.27 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.144 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -102.27 156.29 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 75.43 111.15 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 73.32 110.851 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.746 0.308 . . . . 74.02 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.43 67.03 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 63.32 111.08 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.92 156.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.23 111.167 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -146.89 118.95 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.21 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.46 137.96 54.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.922 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -150.88 131.63 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.22 111.139 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.86 32.09 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.823 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.21 166.23 30.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.34 111.113 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.05 156.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.851 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.78 159.8 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.844 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -102.33 154.01 19.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.94 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.37 145.68 51.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.71 124.94 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.174 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.93 -135.99 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 73.02 112.495 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.13 22.91 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 72.43 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 58.27 56.47 4.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.853 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.47 140.87 43.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.17 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -66.54 -17.15 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.868 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -92.03 14.45 15.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 75.3 110.848 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -57.72 -40.63 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 71.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.13 -40.76 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -64.96 -47.65 76.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.923 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -57.92 -42.46 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 61.5 111.153 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.7 -37.92 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.891 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.52 -28.65 60.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.9 p -55.5 -23.76 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 73.34 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.77 114.34 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.58 -27.46 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.864 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -59.09 -31.41 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.174 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -70.38 134.1 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.118 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -112.9 -41.37 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.903 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.96 164.74 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 62.13 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.91 150.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.122 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -145.52 135.33 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 72.45 110.898 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.915 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -90.18 119.08 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.37 -36.23 83.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 71.43 110.853 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.21 -38.96 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -130.84 116.38 17.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.57 -20.85 64.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.866 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -94.99 30.15 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -141.62 143.6 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.098 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -141.62 136.88 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 ptp -102.86 122.14 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.87 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -99.1 124.47 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 70.12 111.128 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.06 111.64 23.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.843 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.36 155.58 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.943 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -71.62 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.84 109.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.41 110.934 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.72 1.82 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 75.33 112.512 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.8 m -111.07 166.88 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 63.03 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.7 m -140.64 112.3 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.128 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -75.45 97.96 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 73.05 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.05 143.27 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 70.34 111.134 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.3 mt -118.89 104.28 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 64.53 110.896 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -65.92 -31.39 72.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.899 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.62 -12.45 37.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 64.33 112.507 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.92 -157.02 25.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 71.12 112.445 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.3 mm -78.89 -23.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 63.43 111.097 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.17 -45.58 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -65.95 -32.85 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.6 tp -67.46 -41.23 84.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.928 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -59.07 -40.39 85.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.857 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.02 -34.92 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.64 -74.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.9 t -62.73 -24.18 67.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.132 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.37 31.39 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 74.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.73 118.94 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.45 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -77.57 -20.83 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.911 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.9 p -85.99 5.69 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 75.41 111.164 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 tt -72.41 113.26 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.905 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.32 160.07 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 74.25 110.892 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.2 mt -126.09 133.17 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.124 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -130.62 153.56 81.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 73.44 110.912 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.281 . . . . 71.14 112.354 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.3 tpt -64.35 145.5 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 72.31 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.6 mm -115.0 136.27 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.141 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.43 133.32 22.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 73.3 111.114 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -179.77 3.17 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.629 2.22 . . . . 71.22 112.323 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -121.19 -41.06 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 71.3 111.11 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.9 p -68.5 127.91 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 74.24 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.855 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 74.31 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.9 66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 63.34 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.07 159.02 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 65.11 111.152 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -145.74 122.94 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.845 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.6 135.02 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 75.42 110.885 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -139.16 126.38 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.157 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.07 37.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 75.54 110.902 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.89 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 71.04 111.083 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.68 160.19 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.897 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -151.64 156.99 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.876 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.52 148.66 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -121.34 137.26 54.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.946 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.08 125.77 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.03 111.076 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 -140.1 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.2 112.484 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.24 16.12 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 74.42 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.7 t0 51.99 73.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.31 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -110.58 150.17 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 61.21 111.173 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.1 t -67.05 -15.87 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 62.54 110.898 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -75.9 -21.72 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -59.72 -36.99 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.931 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -70.01 -48.03 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 75.24 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.84 -47.6 80.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.884 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.76 -36.63 74.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 72.52 111.136 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 30.1 mmt -75.13 -37.29 61.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.909 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.2 -13.07 61.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.867 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 t -52.83 -26.46 14.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.51 111.168 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.88 129.86 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.25 -27.1 32.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -51.66 -35.52 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 73.45 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.8 t -80.58 117.66 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 64.22 111.13 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -84.53 -46.65 11.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 64.11 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.15 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 71.15 111.09 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.6 t -131.91 144.73 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.05 111.114 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -140.1 135.24 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 170.05 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.916 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.69 116.58 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 50.13 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.05 -26.08 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 73.43 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.41 -50.38 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.908 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.9 128.57 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.9 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.1 -22.43 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -95.81 29.43 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.835 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.6 t -133.8 132.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 70.34 111.13 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -137.29 130.48 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.22 118.94 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.899 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.76 113.13 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.4 111.148 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 m -90.95 111.29 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 46.0 mt -81.53 154.98 25.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.3 110.923 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.61 136.28 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.895 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -59.2 109.59 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.3 4.17 29.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.445 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.6 m -111.84 165.8 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 73.1 110.876 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.8 m -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.166 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -79.27 101.54 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.898 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.7 t -106.0 143.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 64.14 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mp -118.48 104.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 74.05 110.908 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -55.99 -28.49 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.13 110.888 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.54 -5.83 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 63.14 112.535 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 -154.69 35.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 74.33 112.492 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.6 mm -78.7 -23.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 72.32 111.123 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -61.44 -45.75 92.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -33.15 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 75.11 110.873 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.57 -41.89 79.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.12 110.915 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -59.05 -41.23 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.53 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.24 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.78 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 t -55.6 -27.2 48.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.38 30.28 9.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.493 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -138.35 123.76 19.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 64.55 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.7 m -80.33 -24.47 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.05 -18.12 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 74.41 111.143 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.43 115.81 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.927 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.01 154.54 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 75.14 110.879 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.7 mt -119.64 131.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 71.45 111.113 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.55 154.81 54.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 75.01 110.888 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 71.34 112.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -63.49 138.9 58.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.5 mm -118.21 131.64 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.0 111.082 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.63 133.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 72.34 111.087 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 146.87 61.77 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 75.33 112.35 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -146.22 130.21 17.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.143 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -122.89 164.8 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.162 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 74.35 110.884 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ttt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.794 0.331 . . . . 75.12 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.05 83.57 2.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.23 111.087 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.94 158.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.138 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -143.44 119.42 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.92 134.63 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.89 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -141.32 127.86 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.04 111.149 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -97.73 36.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.89 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.57 168.95 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.087 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.96 158.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -151.64 161.4 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.862 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.97 154.82 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -130.56 129.16 42.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -117.93 124.84 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 63.34 111.145 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.54 -132.16 1.33 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.34 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -106.02 20.46 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 65.14 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 51.67 63.73 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.842 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 140.86 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.153 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 t -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.825 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.64 6.96 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.842 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.92 -39.06 71.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.91 -40.93 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.27 -47.46 76.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.88 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.0 t -58.2 -42.88 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.111 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mmt -73.18 -37.93 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -54.36 -28.5 43.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.5 p -58.41 -21.49 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 74.54 111.122 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.73 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.11 110.875 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.91 -27.8 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.15 110.847 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.6 p -59.31 -29.71 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 73.24 111.13 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.18 123.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 62.43 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.63 -41.23 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.41 164.43 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 70.21 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.99 150.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 73.2 111.109 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -142.96 135.22 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 159.01 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -98.54 107.79 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.846 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.74 -27.96 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 mt -78.74 -37.75 40.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.943 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -131.78 116.03 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.844 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.93 -22.71 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 75.42 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -95.74 30.34 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.884 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.8 t -140.71 131.93 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.71 137.36 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.907 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.51 118.93 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.04 110.824 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.69 123.83 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 70.42 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -97.08 117.32 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.94 152.43 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -61.01 179.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.915 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 118.32 30.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.93 15.45 59.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 74.4 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.7 m -112.42 165.3 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 75.33 110.875 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -141.48 117.82 10.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 74.55 111.132 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.15 97.45 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.836 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.98 142.9 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 74.14 111.132 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.74 104.4 11.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.06 -26.06 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.855 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.52 -1.15 34.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 71.24 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.73 -159.2 43.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 71.21 112.475 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mm -78.59 -23.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 72.52 111.152 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.09 -43.69 91.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.33 110.839 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.81 -32.87 74.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.861 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.2 tp -71.29 -34.68 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.925 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -57.88 -50.39 73.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.27 -34.17 77.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 65.23 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -51.68 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.941 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 t -60.23 -26.71 66.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.42 111.142 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.51 34.0 5.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 74.31 112.495 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.5 137.53 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 75.33 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -91.66 14.37 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.89 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -110.48 -16.95 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.43 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.5 116.25 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -131.8 148.91 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 75.13 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 70.9 mt -107.15 133.05 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.55 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.21 153.58 71.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 73.22 110.91 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.97 9.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 74.1 112.379 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -72.1 136.88 46.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.54 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.14 139.53 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 62.22 111.101 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.4 t -86.76 133.26 40.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 73.42 111.143 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 157.86 59.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.27 . . . . 71.33 112.364 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.7 t -122.41 116.22 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 60.05 111.148 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.2 m -76.42 111.31 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 72.04 111.17 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.851 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 64.21 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.47 82.88 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 74.14 111.072 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -51.72 149.51 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 71.23 111.19 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -143.63 118.85 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.32 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -118.51 131.69 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.0 t -135.98 120.19 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.41 111.166 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.16 43.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 71.23 110.875 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.31 167.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.35 111.077 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.82 155.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -146.69 164.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.885 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.7 mt -102.48 142.98 32.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 70.14 110.93 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -120.31 130.74 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 73.32 110.931 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.52 124.85 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.131 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.91 -131.91 1.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 64.44 112.478 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.54 26.07 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 71.11 110.858 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 53.1 66.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 140.6 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.42 111.089 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -17.12 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.44 110.829 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -100.2 14.75 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.864 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -55.77 -34.26 65.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.924 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -50.57 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 73.23 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.37 -42.72 99.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 74.5 110.923 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -57.51 -45.31 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.12 111.129 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.5 mmt -74.87 -35.54 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.912 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.49 -24.58 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.871 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -52.1 -26.65 11.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.154 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.25 121.59 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 73.04 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.77 -27.83 31.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.882 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.5 p -52.74 -36.01 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.166 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.5 132.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.14 111.126 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.37 -43.0 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.25 161.7 39.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.078 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -131.92 143.15 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 73.12 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -140.73 135.26 31.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 151.56 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.15 110.892 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -88.97 117.31 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.04 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -63.67 -34.31 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.903 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.72 -41.1 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -126.7 115.87 20.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 55.33 110.828 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 -23.51 65.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -95.53 30.73 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.855 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.9 t -140.95 141.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.25 111.134 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.64 135.51 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 70.22 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.44 119.08 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 74.52 110.855 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.9 115.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 72.24 111.162 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.7 m -92.92 110.28 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.58 148.58 35.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.921 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -58.12 152.9 15.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.944 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -64.99 110.0 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 74.35 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.11 14.06 43.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 73.2 112.472 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -109.76 161.56 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 71.45 110.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 36.7 m -144.99 117.35 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.162 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.4 105.27 8.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.887 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -106.19 131.86 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 71.54 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mp -104.0 103.99 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.35 110.901 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -66.07 -31.2 71.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.859 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.14 -8.48 33.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 75.23 112.486 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.59 -160.5 27.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 74.35 112.522 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.0 mm -78.61 -23.33 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 74.01 111.113 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -33.19 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.896 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.73 -35.09 79.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.936 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -64.23 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.54 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.96 -36.2 83.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.943 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -51.74 -64.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.896 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -73.91 -25.59 60.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 61.11 111.188 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.75 30.21 10.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 73.22 112.489 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.24 114.72 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.33 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 m -69.35 -26.09 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.885 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -69.22 -16.93 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.34 111.107 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.15 111.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 64.05 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.25 158.92 36.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -118.57 132.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 73.13 111.162 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -127.48 153.59 77.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 74.24 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.8 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 72.32 112.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.7 tpt -72.67 116.08 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.1 110.932 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -89.81 131.37 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 72.32 111.122 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.74 133.21 86.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 71.34 111.154 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 73.01 112.353 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -98.07 69.83 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.54 111.154 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 p -96.92 70.77 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.14 111.141 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 74.32 110.832 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 mtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.771 0.319 . . . . 73.01 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.21 62.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 64.33 111.092 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.71 155.78 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.134 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -133.02 121.94 23.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.19 136.95 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.25 110.941 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -142.66 131.33 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 74.04 111.152 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -102.77 37.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.9 165.0 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 74.14 111.09 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.89 155.14 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.846 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -149.06 160.6 43.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.859 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -102.34 140.77 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 73.15 110.92 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -118.8 136.07 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 70.24 110.886 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -126.62 124.73 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.178 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.33 -123.01 1.73 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 70.01 112.519 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -122.77 23.27 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 75.4 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.8 52.87 5.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.879 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 p -76.59 140.16 40.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.151 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -67.64 -17.21 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.861 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.1 mtm-85 -92.33 14.38 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 73.32 110.861 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -59.62 -35.98 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.877 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.12 -43.21 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.864 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.28 -45.14 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 73.11 110.87 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.31 -44.34 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 73.11 111.09 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.2 mmt -73.78 -37.3 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.898 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -29.55 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.91 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.8 p -55.47 -23.22 24.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 71.21 111.137 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -96.89 119.17 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.46 -15.17 60.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 74.31 110.822 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 m -73.39 -26.21 60.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 65.03 111.142 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.6 p -70.27 142.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 71.31 111.15 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -120.33 -39.42 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.23 153.44 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.13 148.21 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.35 111.117 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -143.73 135.49 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 159.46 30.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.872 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.93 115.15 28.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.849 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.79 -33.54 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 70.42 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.65 -52.48 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.899 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -131.77 112.47 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.51 -20.87 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -76.64 -5.06 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -112.23 136.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.146 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.03 130.71 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 72.23 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.02 118.77 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.13 110.89 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -98.23 112.34 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.42 111.171 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.85 110.9 22.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 64.1 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 30.4 mt -72.23 163.33 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.928 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -72.35 179.32 3.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.893 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -93.6 114.96 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.35 12.27 54.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 73.42 112.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.3 m -112.72 166.52 11.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.958 0.409 . . . . 73.52 110.853 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.5 m -139.7 123.65 17.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 74.34 111.098 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -84.71 96.33 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.906 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.0 143.65 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.42 111.091 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.46 104.3 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 64.22 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.946 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.13 -9.13 20.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 75.01 112.491 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.96 -149.77 28.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 54.14 112.47 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.1 mm -78.69 -23.39 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 75.35 111.154 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -45.7 93.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.24 110.868 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -33.02 68.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.912 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 tp -66.82 -35.39 79.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 74.1 110.88 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.39 -40.48 95.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.93 -34.42 78.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.957 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.24 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -68.06 -25.36 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 70.43 111.099 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.56 28.77 15.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 61.13 112.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -135.49 114.1 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 75.35 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -65.72 -25.7 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 61.53 110.886 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -67.28 -16.92 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.131 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.27 116.07 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.04 110.934 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.19 150.05 51.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 69.4 mt -110.65 132.92 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.22 111.156 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -130.07 153.53 81.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 72.52 110.89 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 114.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 72.01 112.352 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.72 131.24 45.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.934 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.23 124.06 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.128 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.35 133.08 39.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 72.43 111.15 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 74.48 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 75.04 112.353 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m 47.65 83.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 72.22 111.155 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 m -161.32 60.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.165 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.843 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.784 0.326 . . . . 73.12 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.17 64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.23 111.062 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -173.84 146.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 74.41 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -146.47 118.98 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.87 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -123.02 138.26 54.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 73.41 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -146.38 127.8 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.163 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.95 39.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.34 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.11 169.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.34 111.103 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -51.78 164.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 73.52 110.838 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -156.23 161.08 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.858 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -102.52 154.34 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.14 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.36 146.54 52.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.925 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.93 124.82 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 73.31 111.133 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.79 -131.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 65.44 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -123.6 25.9 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 63.55 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 54.15 75.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 73.15 110.857 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -106.77 140.96 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.11 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -24.89 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.882 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -76.85 -10.49 59.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 75.24 110.869 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.37 -44.78 80.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.938 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.54 -44.52 90.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.896 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -63.43 -47.45 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.0 t -57.46 -42.88 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.113 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.37 -35.77 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 73.11 110.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -33.69 72.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -56.45 -23.71 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.142 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.36 113.4 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -53.63 -28.07 30.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 71.3 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -30.79 71.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.33 111.158 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -72.9 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.156 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -97.29 -43.19 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.5 169.62 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.132 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.38 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 71.14 111.126 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -143.26 135.41 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.03 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 142.17 30.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 64.45 110.854 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -81.12 113.01 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 72.52 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.01 -29.88 68.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.33 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.82 -45.55 67.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.916 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.77 122.37 28.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 53.44 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.31 -22.35 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 73.34 110.825 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -95.54 32.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 75.43 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -141.57 132.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.27 139.51 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.939 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptp -109.25 118.93 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -93.74 127.07 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 74.05 111.104 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.42 109.42 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 72.13 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -75.54 157.76 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.912 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -72.3 134.58 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.918 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.82 111.38 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.91 2.95 30.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -111.53 169.27 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 75.43 110.869 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.5 m -141.1 115.03 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 65.42 111.161 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.44 97.49 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.858 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.5 t -105.97 143.68 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.24 111.166 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -119.31 104.36 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.933 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -60.45 -41.83 94.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.13 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.17 -25.65 23.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 70.35 112.461 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.0 -153.04 18.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 74.45 112.509 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.9 mm -78.24 -23.49 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 73.52 111.098 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.45 -45.36 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.45 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.95 -33.65 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.873 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.6 tp -69.62 -37.49 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.899 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.67 -40.12 92.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -35.04 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 72.22 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.75 -68.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -70.71 -24.05 62.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.4 111.163 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 43.25 5.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 44.32 112.485 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.85 114.08 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 72.03 110.803 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -69.01 -25.31 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 70.45 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -65.11 -23.78 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.14 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.08 110.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -123.05 161.22 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.6 mt -126.89 133.15 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 74.23 111.123 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.68 153.66 79.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 71.51 110.968 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 75.53 112.35 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.56 121.08 15.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.844 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.75 135.64 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 64.13 111.146 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -77.03 133.28 69.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 72.52 111.117 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 80' ' ' THR . 53.7 Cg_endo -69.67 174.28 9.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.712 2.275 . . . . 75.35 112.339 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' PRO . 10.1 t 37.33 43.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.158 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.9 m -51.9 -47.91 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 75.41 111.162 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.91 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.759 0.314 . . . . 75.44 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.49 37.34 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.42 111.124 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.92 157.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 52.44 111.155 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -146.92 118.92 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.24 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -122.72 135.96 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.875 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -137.27 122.31 19.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -92.84 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.814 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.08 166.13 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.089 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -52.06 158.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.33 110.866 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -147.64 172.57 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.897 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.8 mt -106.79 157.48 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.946 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.42 132.7 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 71.4 110.92 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.55 125.2 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.71 -138.26 2.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 75.43 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -97.87 25.93 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.13 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.59 42.8 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.24 149.86 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 64.4 111.129 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 m -67.31 -15.92 63.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 70.34 110.863 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -77.7 -22.08 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 72.32 110.881 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.95 -44.93 94.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.922 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.09 -38.06 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.906 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -66.89 -47.62 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.864 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.56 -39.19 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.13 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.1 mmt -73.14 -33.75 65.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.912 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 p -57.84 -22.33 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 74.2 111.114 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.2 117.44 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -53.65 -30.38 42.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -66.27 -29.79 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.13 111.177 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.7 t -79.1 132.61 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.11 111.121 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -103.23 -45.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.91 150.33 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.43 142.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.085 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -137.96 135.41 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 158.13 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.21 110.929 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.37 112.89 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -53.57 -31.55 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 70.14 110.859 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.05 -46.9 61.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.35 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -131.36 124.78 31.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 60.11 110.88 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.58 -20.64 64.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.81 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -94.99 29.0 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -141.73 132.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.01 111.14 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.9 128.42 42.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.879 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.47 118.68 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.51 110.861 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -100.0 113.73 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.4 111.179 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 m -93.25 112.87 24.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -77.62 173.35 12.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.942 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -88.89 179.3 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.912 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -91.96 114.13 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 74.44 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.12 -18.9 38.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 75.42 112.508 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 m -91.26 164.08 14.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.957 0.408 . . . . 64.25 110.882 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.8 m -145.17 132.65 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 73.52 111.114 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -88.06 96.75 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.848 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -106.0 142.99 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.1 mt -114.27 104.38 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 72.14 110.904 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -63.8 -26.39 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 53.14 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.73 22.99 9.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 25.25 112.524 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.79 -155.51 53.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.755 . . . . 72.22 112.514 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 36.2 mm -78.76 -23.18 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 74.23 111.152 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.28 -45.46 94.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 64.31 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -32.9 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.896 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.01 -42.92 68.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.961 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.26 -40.2 95.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.932 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.47 -35.18 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.908 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.69 -71.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.7 t -61.94 -26.73 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.03 111.154 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.77 21.06 32.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 53.14 112.463 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -126.1 121.27 32.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 52.44 110.893 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -80.28 -2.23 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.1 p -88.07 -22.9 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 74.44 111.107 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tt -52.69 121.42 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 70.41 110.931 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.07 151.87 50.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.902 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.9 mt -110.71 132.17 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.135 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -129.63 153.6 80.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 73.33 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 74.14 112.393 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -65.82 128.08 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.865 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm -116.02 136.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 75.43 111.134 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.3 t -88.63 133.35 36.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 65.44 111.069 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 107.76 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 71.54 112.337 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -60.23 163.23 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.12 111.17 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -116.14 77.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 73.12 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.847 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.818 0.342 . . . . 74.319999999999993 111.171 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.3 t80 -146.36 118.93 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.120000000000005 110.877 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.721 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -124.43 141.85 51.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.91 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -151.05 131.77 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.143 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -102.54 40.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.88 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 167.15 8.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 111.052 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -52.29 157.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.140000000000001 110.829 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' HE2' HD21 ' A' ' 47' ' ' LEU . 27.5 p90 -150.21 165.05 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.847 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.629 HD22 ' CG1' ' A' ' 42' ' ' VAL . 14.1 mt -102.48 144.1 31.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 70.239999999999995 110.918 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.542 HD12 HG12 ' A' ' 73' ' ' ILE . 3.8 tp -123.74 137.69 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.349999999999994 110.897 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.81 124.77 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 70.450000000000003 111.115 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.01 -121.15 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 75.310000000000002 112.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -130.36 29.29 4.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 61.039999999999999 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.47 67.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.68 140.28 42.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.540000000000006 111.126 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -67.02 -16.71 64.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 43.219999999999999 110.85 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -76.48 -3.33 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.876 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.93 -34.4 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 110.911 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.94 -45.32 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' THR . 23.0 tp10 -66.66 -43.08 85.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.872 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.72 HG21 ' HB ' ' A' ' 66' ' ' THR . 99.2 t -57.27 -45.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 111.123 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 45' ' ' VAL . 8.4 mmt -73.62 -38.02 65.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 110.855 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -29.05 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 22' ' ' GLU . 24.0 p -55.56 -23.95 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 111.163 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -102.95 113.07 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.54 -27.88 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.049999999999997 110.91 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.663 HG22 HD22 ' A' ' 47' ' ' LEU . 30.3 m -59.3 -28.08 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 111.174 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 45' ' ' VAL . 91.9 t -71.45 130.75 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 111.144 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -105.77 -42.95 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 110.837 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.86 167.03 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.509999999999998 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.76 150.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.519999999999996 111.097 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -143.31 135.22 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 148.91 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.549999999999997 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 118.27 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 65.209999999999994 110.834 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.93 -37.88 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.84 -44.44 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.450000000000003 110.904 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' HB3' HG23 ' A' ' 42' ' ' VAL . 93.8 m-20 -127.63 114.58 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.867 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 -20.83 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.827 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -91.39 14.45 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 110.835 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.629 ' CG1' HD22 ' A' ' 11' ' ' LEU . 48.0 t -126.75 132.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.145 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -132.71 138.55 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 70.010000000000005 110.898 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ptp -105.47 118.89 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 74.510000000000005 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 24' ' ' MET . 90.5 t -97.69 125.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 52.240000000000002 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.71 112.21 24.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 29' ' ' THR . 57.3 mt -76.07 162.07 28.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 71.019999999999996 110.91 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.13 132.64 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 61.009999999999998 110.891 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -54.23 107.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 63.420000000000002 110.888 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.68 -19.26 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 65.030000000000001 112.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG23 ' A' ' 29' ' ' THR . 39.7 m -90.64 166.4 13.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 62.210000000000001 110.844 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 54' ' ' VAL . 88.0 m -140.41 113.84 8.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 72.129999999999995 111.161 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.635 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -77.22 95.05 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.852 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.721 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.0 t -105.96 142.9 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 71.430000000000007 111.128 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' A' ' 4' ' ' PHE . 59.7 mt -116.84 104.29 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 71.230000000000004 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.09 -25.27 63.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.319999999999993 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.25 27.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 73.519999999999996 112.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.8 -158.85 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 70.099999999999994 112.498 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.543 ' CD1' HD12 ' A' ' 73' ' ' ILE . 35.9 mm -78.85 -23.06 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 65.319999999999993 111.151 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.07 -45.63 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 74.120000000000005 110.913 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.82 -32.88 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.140000000000001 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.939 HD23 HD21 ' A' ' 71' ' ' LEU . 11.8 tp -71.04 -36.38 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.439999999999998 110.88 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.0 -33.94 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 71.400000000000006 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.913 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.88 -65.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.925 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.72 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.3 t -69.5 -24.97 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 111.138 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.02 31.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.756 . . . . 72.340000000000003 112.473 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.45 127.41 31.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 74.519999999999996 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.7 m -75.96 -21.48 56.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.519999999999996 110.877 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -65.03 -23.36 67.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 63.229999999999997 111.17 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD23 ' A' ' 62' ' ' LEU . 7.3 tt -51.86 115.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.349999999999994 110.919 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -130.2 162.24 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 64.310000000000002 110.929 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 62' ' ' LEU . 53.5 mt -126.81 133.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.430000000000007 111.131 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.26 153.62 81.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.340000000000003 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 71.319999999999993 112.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.03 121.82 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.310000000000002 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 65.299999999999997 111.105 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.816 0.341 . . . . 72.120000000000005 111.162 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.652 ' HB3' HD12 ' A' ' 55' ' ' LEU . 34.7 t80 -146.96 118.96 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.109999999999999 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.72 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -124.03 137.56 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.420000000000002 110.885 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 10' ' ' PHE . 5.2 t -147.23 122.51 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 42.109999999999999 111.145 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -93.03 43.71 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.120000000000005 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.09 168.02 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 52.229999999999997 111.085 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -51.63 158.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.464 ' CD2' HG21 ' A' ' 6' ' ' THR . 27.3 p90 -153.41 164.46 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.841 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.48 156.87 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 43.450000000000003 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.508 HD11 ' HG ' ' A' ' 71' ' ' LEU . 9.5 tp -133.58 131.44 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.92 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.67 125.09 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 42.340000000000003 111.134 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.94 -138.53 2.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 52.119999999999997 112.452 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -98.82 17.64 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 73.319999999999993 110.878 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.6 t0 51.36 57.61 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.109999999999999 110.848 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.77 140.49 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 72.409999999999997 111.17 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -67.24 -16.96 64.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 62.340000000000003 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.1 ttp180 -84.99 4.29 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 110.853 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -57.29 -34.87 69.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.350000000000001 110.884 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.75 -45.98 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -66.47 -47.63 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.019999999999996 110.915 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 ' HB ' ' A' ' 66' ' ' THR . 92.6 t -57.34 -43.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.430000000000007 111.171 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.619 ' CE ' HG11 ' A' ' 45' ' ' VAL . 82.4 mmm -73.44 -38.12 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 62.439999999999998 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -27.69 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 61.130000000000003 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 p -55.29 -23.88 25.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 60.350000000000001 111.144 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.67 113.18 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 62.219999999999999 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.6 -27.48 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 71.430000000000007 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 51' ' ' SER . 41.2 p -58.66 -29.16 66.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 111.119 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.29 109.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 73.430000000000007 111.132 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.97 -38.76 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.150000000000006 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.32 165.15 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 111.128 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.18 151.26 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -145.41 135.35 23.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 71.129999999999995 110.881 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 168.4 15.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.109999999999999 110.881 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -108.52 111.5 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 64.230000000000004 110.805 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.6 -32.12 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 75.439999999999998 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.55 -38.7 62.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 60.140000000000001 110.942 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG23 ' A' ' 42' ' ' VAL . 54.5 m-20 -131.77 115.39 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.924 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.36 -21.14 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -95.51 25.7 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' A' ' 39' ' ' ASP . 55.7 t -136.65 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -135.96 145.48 46.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 53.439999999999998 110.943 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 118.84 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.109999999999999 110.915 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG11 ' CE ' ' A' ' 24' ' ' MET . 31.9 t -95.45 128.08 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 70.230000000000004 111.136 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 100.0 m -97.93 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.9 mt -78.06 142.97 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.931 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -53.44 158.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 110.921 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.45 103.5 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.549999999999997 110.956 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.66 -34.43 5.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 63.439999999999998 112.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.611 ' HB3' HG22 ' A' ' 29' ' ' THR . 38.8 m -64.42 164.6 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 72.230000000000004 110.864 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.437 ' O ' HG21 ' A' ' 29' ' ' THR . 89.8 m -140.35 118.35 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 42.130000000000003 111.161 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.7 98.49 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 73.209999999999994 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.1 t -105.97 143.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.150000000000006 111.125 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 4' ' ' PHE . 48.9 mt -118.4 104.33 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 53.340000000000003 110.895 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.62 -36.99 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 110.896 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.15 -19.8 32.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 52.409999999999997 112.468 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.72 -154.81 21.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 72.299999999999997 112.51 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.522 ' CD1' HD12 ' A' ' 73' ' ' ILE . 25.8 mm -78.3 -23.14 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 74.019999999999996 111.137 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -61.1 -45.38 94.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.85 -33.59 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 71.239999999999995 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.794 HD23 HD21 ' A' ' 71' ' ' LEU . 8.4 tp -71.18 -35.84 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.109999999999999 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -63.46 -46.17 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.09 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 74.540000000000006 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.779 ' HB ' HG21 ' A' ' 23' ' ' VAL . 3.8 t -67.82 -26.13 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 53.210000000000001 111.112 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.33 -13.28 54.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 72.340000000000003 112.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.7 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -79.78 102.69 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.341 . . . . 75.420000000000002 110.863 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 t -68.31 -19.73 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.904 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.9 p -94.86 24.64 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 74.299999999999997 111.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 HD23 ' A' ' 62' ' ' LEU . 5.4 tt -79.9 118.29 21.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.040000000000006 110.89 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -120.58 154.26 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.109999999999999 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.702 HD11 ' CD2' ' A' ' 62' ' ' LEU . 57.7 mt -127.34 128.03 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.26 158.52 68.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 71.519999999999996 110.877 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.45 9.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 73.299999999999997 112.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.8 124.19 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.899 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.32 111.15 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.797 0.332 . . . . 60.310000000000002 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -136.64 118.57 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 54.229999999999997 110.854 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -119.39 132.93 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.329999999999998 110.898 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.417 HG21 ' CD2' ' A' ' 10' ' ' PHE . 6.3 t -140.84 123.28 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 60.32 111.111 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -95.15 44.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.888 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.28 169.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.099999999999994 111.069 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -51.62 156.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.349999999999994 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 47' ' ' LEU . 16.4 p90 -148.55 158.41 44.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -102.65 144.74 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 73.120000000000005 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 138.63 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 43.140000000000001 110.932 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.1 t -124.61 124.79 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.539999999999999 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.82 -141.59 3.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 64.040000000000006 112.484 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -99.27 22.56 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 72.209999999999994 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 51.7 55.78 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -82.42 140.83 33.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 71.150000000000006 111.128 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.329999999999998 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 tpt180 -78.08 -2.17 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -55.8 -34.11 65.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.22 -46.09 65.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 53.340000000000003 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -66.87 -43.1 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.149999999999999 110.879 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 19' ' ' ARG . 94.9 t -57.64 -45.09 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 53.43 111.105 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 45' ' ' VAL . 14.0 mmt -73.57 -35.1 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.885 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -23.14 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.88 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.3 p -52.0 -28.98 18.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 52.030000000000001 111.089 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.93 120.69 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.540000000000006 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.23 -26.61 40.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 51' ' ' SER . 26.5 m -53.86 -29.75 42.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 50.219999999999999 111.133 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.464 HG13 HG13 ' A' ' 45' ' ' VAL . 86.0 t -70.53 104.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 52.240000000000002 111.124 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -77.62 -42.62 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 168.0 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 71.109999999999999 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.07 150.55 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.120000000000005 111.093 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -142.83 135.45 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.888 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 163.17 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.24 119.3 38.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.857 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.72 -28.9 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 74.439999999999998 110.907 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -36.91 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 110.88 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -131.84 118.4 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.340000000000003 110.868 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.57 -23.0 64.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.010000000000005 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -95.67 30.8 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.19 134.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 111.192 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -139.54 141.2 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.903 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.5 ptp -113.2 118.74 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 65.239999999999995 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 24' ' ' MET . 85.5 t -95.24 127.37 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.299999999999997 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -98.85 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 62.200000000000003 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 HG22 ' A' ' 29' ' ' THR . 66.0 mt -81.8 146.41 29.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.885 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -64.37 133.17 52.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 71.120000000000005 110.848 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -51.99 117.71 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 54.539999999999999 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.82 -19.95 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 50.109999999999999 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.631 ' CB ' HG23 ' A' ' 29' ' ' THR . 33.6 m -91.89 161.89 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 64.140000000000001 110.83 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -142.28 122.09 13.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 63.219999999999999 111.14 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.05 104.79 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 60.439999999999998 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.449 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.3 t -106.19 138.98 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 51.130000000000003 111.125 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 55' ' ' LEU . 1.3 mm? -110.84 104.93 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.957 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -66.08 -29.97 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.519999999999996 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.7 -14.83 14.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 74.209999999999994 112.489 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.86 -160.3 21.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 63.329999999999998 112.488 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.51 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.8 mm -78.48 -21.94 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 75.150000000000006 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.51 -45.66 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 110.881 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -32.8 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 65.120000000000005 110.867 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 HD23 HD21 ' A' ' 71' ' ' LEU . 14.8 tp -71.16 -35.8 71.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.120000000000005 110.892 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -64.45 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -40.22 93.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.5 -69.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 65.409999999999997 110.871 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 68' ' ' ASP . 2.8 t -63.25 -28.19 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 111.11 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 1.29 63.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 61.539999999999999 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.707 ' H ' HG23 ' A' ' 66' ' ' THR . 1.4 t70 -107.07 112.66 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 72.040000000000006 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -68.72 -24.75 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.901 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -15.49 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 72.450000000000003 111.183 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 66' ' ' THR . 8.8 tt -59.56 113.25 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HA ' HG21 ' A' ' 59' ' ' ILE . 3.8 mt-10 -133.96 148.29 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 73.510000000000005 110.914 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.1 mt -106.36 133.11 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 111.097 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.72 153.51 79.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 64.239999999999995 110.945 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 35.140000000000001 112.387 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 ttt -54.1 127.23 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.240000000000002 110.865 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 111.134 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.807 0.337 . . . . 65.230000000000004 111.167 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD12 ' A' ' 55' ' ' LEU . 16.0 t80 -146.89 118.95 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.209999999999994 110.884 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.605 ' HG3' HG22 ' A' ' 54' ' ' VAL . 1.1 tm0? -124.46 137.96 54.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 62.130000000000003 110.922 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 10' ' ' PHE . 11.1 t -150.88 131.63 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 111.139 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.86 32.09 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.823 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.21 166.23 30.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.340000000000003 111.113 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.05 156.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.851 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.637 ' CE2' HD21 ' A' ' 47' ' ' LEU . 20.7 p90 -150.78 159.8 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 72.430000000000007 110.844 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -102.33 154.01 19.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.099999999999994 110.94 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.37 145.68 51.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 72.409999999999997 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.71 124.94 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.549999999999997 111.174 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.93 -135.99 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 45.039999999999999 112.495 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.13 22.91 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 45.340000000000003 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 58.27 56.47 4.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.140000000000001 110.853 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.47 140.87 43.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 111.17 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -66.54 -17.15 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.210000000000001 110.868 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 23' ' ' VAL . 93.9 mtt180 -92.03 14.45 15.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 74.329999999999998 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -57.72 -40.63 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 71.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.13 -40.76 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 17.1 tt0 -64.96 -47.65 76.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.150000000000006 110.923 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 19' ' ' ARG . 96.9 t -57.92 -42.46 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 61.5 111.153 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt -73.7 -37.92 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 64.200000000000003 110.891 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.52 -28.65 60.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.319999999999993 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' GLU . 21.9 p -55.5 -23.76 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 111.14 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.77 114.34 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.209999999999994 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.58 -27.46 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 63.530000000000001 110.864 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.735 HG21 ' N ' ' A' ' 53' ' ' PHE . 1.3 m -59.09 -31.41 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 111.174 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 45' ' ' VAL . 99.4 t -70.38 134.1 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -112.9 -41.37 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.903 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.96 164.74 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 51.210000000000001 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.91 150.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 55.049999999999997 111.122 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -145.52 135.33 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.129999999999995 110.898 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.109999999999999 110.915 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -90.18 119.08 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.420000000000002 110.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.37 -36.23 83.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 110.853 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.21 -38.96 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' CG ' HG23 ' A' ' 42' ' ' VAL . 43.1 t0 -130.84 116.38 17.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 71.140000000000001 110.885 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.57 -20.85 64.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 62.219999999999999 110.866 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -94.99 30.15 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 73.310000000000002 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' CG ' ' A' ' 39' ' ' ASP . 58.0 t -141.62 143.6 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 111.098 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -141.62 136.88 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.020000000000003 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 ptp -102.86 122.14 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 52.409999999999997 110.87 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 24' ' ' MET . 96.8 t -99.1 124.47 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 64.519999999999996 111.128 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.06 111.64 23.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.430000000000007 110.843 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' A' ' 10' ' ' PHE . 62.1 mt -77.36 155.58 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -71.62 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.84 109.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.319999999999993 110.934 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.72 1.82 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 75.329999999999998 112.512 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.8 m -111.07 166.88 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 44.509999999999998 110.824 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.7 m -140.64 112.3 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 43.350000000000001 111.128 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.735 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -75.45 97.96 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 5' ' ' GLN . 94.9 t -106.05 143.27 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 4' ' ' PHE . 47.3 mt -118.89 104.28 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 63.130000000000003 110.896 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -65.92 -31.39 72.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.310000000000002 110.899 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.62 -12.45 37.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 64.329999999999998 112.507 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.92 -157.02 25.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 63.119999999999997 112.445 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.597 ' CD1' HD12 ' A' ' 73' ' ' ILE . 37.3 mm -78.89 -23.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 54.039999999999999 111.097 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.17 -45.58 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.450000000000003 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -65.95 -32.85 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.912 HD23 HD21 ' A' ' 71' ' ' LEU . 10.6 tp -67.46 -41.23 84.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.519999999999996 110.928 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -59.07 -40.39 85.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 110.857 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.02 -34.92 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.64 -74.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.471 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.9 t -62.73 -24.18 67.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 111.132 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.37 31.39 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 42.140000000000001 112.498 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.73 118.94 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.25 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -77.57 -20.83 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.911 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.9 p -85.99 5.69 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 71.230000000000004 111.164 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.912 HD21 HD23 ' A' ' 62' ' ' LEU . 6.6 tt -72.41 113.26 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 71.340000000000003 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.32 160.07 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 72.239999999999995 110.892 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.2 mt -126.09 133.17 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -130.62 153.56 81.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 71.019999999999996 110.912 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.281 . . . . 71.140000000000001 112.354 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.3 tpt -64.35 145.5 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 72.310000000000002 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 72.310000000000002 111.141 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.352 . . . . 63.439999999999998 111.152 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -145.74 122.94 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.420000000000002 110.845 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.619 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -131.6 135.02 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 75.420000000000002 110.885 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -139.16 126.38 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.349999999999994 111.157 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.07 37.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 75.540000000000006 110.902 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.89 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 65.439999999999998 111.083 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.68 160.19 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.897 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' HD21 ' A' ' 47' ' ' LEU . 17.6 p90 -151.64 156.99 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.420000000000002 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.52 148.66 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 74.230000000000004 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -121.34 137.26 54.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 110.946 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.08 125.77 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 111.076 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 -140.1 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.200000000000003 112.484 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.24 16.12 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 74.420000000000002 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.7 t0 51.99 73.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.310000000000002 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -110.58 150.17 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 61.210000000000001 111.173 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.1 t -67.05 -15.87 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 60.229999999999997 110.898 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.0 mtt180 -75.9 -21.72 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.549999999999997 110.874 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 71' ' ' LEU . 2.4 m-85 -59.72 -36.99 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.520000000000003 110.931 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -70.01 -48.03 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 75.239999999999995 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.84 -47.6 80.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 64.299999999999997 110.884 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' ARG . 87.3 t -61.76 -36.63 74.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.530000000000001 111.136 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.487 ' CE ' HD11 ' A' ' 62' ' ' LEU . 30.1 mmt -75.13 -37.29 61.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.109999999999999 110.909 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -72.2 -13.07 61.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.209999999999994 110.867 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.3 t -52.83 -26.46 14.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.510000000000005 111.168 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.88 129.86 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.25 -27.1 32.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.8 m -51.66 -35.52 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 52.43 111.146 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 45' ' ' VAL . 91.8 t -80.58 117.66 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 43.43 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -84.53 -46.65 11.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 60.119999999999997 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.15 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 71.150000000000006 111.09 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 ' HE3' ' A' ' 25' ' ' LYS . 67.6 t -131.91 144.73 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.049999999999997 111.114 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -140.1 135.24 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.010000000000005 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 170.05 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.916 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.69 116.58 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 50.130000000000003 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.05 -26.08 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 71.329999999999998 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.3 mm? -72.41 -50.38 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.908 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 42' ' ' VAL . 3.4 m-20 -129.9 128.57 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.9 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.1 -22.43 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -95.81 29.43 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.420000000000002 110.835 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 39' ' ' ASP . 97.6 t -133.8 132.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 61.520000000000003 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -137.29 130.48 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.22 118.94 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 75.439999999999998 110.899 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 30' ' ' VAL . 59.9 t -95.76 113.13 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.349999999999994 111.148 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 m -90.95 111.29 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD21 ' CE2' ' A' ' 10' ' ' PHE . 46.0 mt -81.53 154.98 25.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.923 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.61 136.28 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.510000000000005 110.895 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -59.2 109.59 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 64.400000000000006 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.3 4.17 29.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 54.240000000000002 112.445 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 29' ' ' THR . 40.6 m -111.84 165.8 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 73.099999999999994 110.876 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.418 ' C ' HG21 ' A' ' 29' ' ' THR . 95.8 m -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 53.439999999999998 111.166 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 29' ' ' THR . 4.2 t80 -79.27 101.54 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.019999999999996 110.898 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.7 t -106.0 143.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 64.140000000000001 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD21 HD12 ' A' ' 62' ' ' LEU . 5.5 mp -118.48 104.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 33.299999999999997 110.908 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -55.99 -28.49 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 64.409999999999997 110.888 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.54 -5.83 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 52.119999999999997 112.535 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 -154.69 35.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 32.5 112.492 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CD1' HD12 ' A' ' 73' ' ' ILE . 27.6 mm -78.7 -23.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 62.420000000000002 111.123 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -61.44 -45.75 92.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.903 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -33.15 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.430000000000007 110.873 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -68.57 -41.89 79.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.120000000000005 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -59.05 -41.23 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.24 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.78 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 50.439999999999998 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.773 HG21 HD13 ' A' ' 71' ' ' LEU . 2.7 t -55.6 -27.2 48.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 111.149 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.38 30.28 9.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 75.420000000000002 112.493 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -138.35 123.76 19.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 64.549999999999997 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.7 m -80.33 -24.47 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 74.450000000000003 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.05 -18.12 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 71.329999999999998 111.143 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 66' ' ' THR . 8.3 tt -55.43 115.81 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 73.010000000000005 110.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.01 154.54 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 72.049999999999997 110.879 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 59' ' ' ILE . 57.7 mt -119.64 131.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 71.450000000000003 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.55 154.81 54.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 73.219999999999999 110.888 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 71.340000000000003 112.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -63.49 138.9 58.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 62.329999999999998 111.082 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 64.430000000000007 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -143.44 119.42 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 72.219999999999999 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.629 ' CG ' HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -126.92 134.63 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 110.89 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.402 HG21 ' CD2' ' A' ' 10' ' ' PHE . 9.9 t -141.32 127.86 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 111.149 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -97.73 36.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.89 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.57 168.95 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.340000000000003 111.087 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.96 158.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 6' ' ' THR . 21.0 p90 -151.64 161.4 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 110.862 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.97 154.82 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 71' ' ' LEU . 6.0 tp -130.56 129.16 42.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 71.129999999999995 110.905 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -117.93 124.84 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 63.340000000000003 111.145 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.54 -132.16 1.33 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.340000000000003 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -106.02 20.46 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 65.140000000000001 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 51.67 63.73 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 75.239999999999995 110.842 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 140.86 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.530000000000001 111.153 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 t -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 110.825 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -85.64 6.96 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.842 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.92 -39.06 71.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.91 -40.93 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 73.209999999999994 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' THR . 29.7 tt0 -65.27 -47.46 76.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.88 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ARG . 58.0 t -58.2 -42.88 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 54.520000000000003 111.111 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mmt -73.18 -37.93 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -54.36 -28.5 43.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.510000000000005 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.5 p -58.41 -21.49 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.349999999999994 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.73 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.219999999999999 110.875 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.91 -27.8 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.150000000000006 110.847 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.643 HG22 ' HB3' ' A' ' 51' ' ' SER . 8.6 p -59.31 -29.71 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 61.450000000000003 111.13 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.18 123.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 62.43 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.63 -41.23 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.41 164.43 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 70.209999999999994 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.99 150.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 62.450000000000003 111.109 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -142.96 135.22 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.219999999999999 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 159.01 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -98.54 107.79 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 75.430000000000007 110.846 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.74 -27.96 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.219999999999999 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 mt -78.74 -37.75 40.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.943 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -131.78 116.03 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.844 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.93 -22.71 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.310000000000002 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -95.74 30.34 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.140000000000001 110.884 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.8 t -140.71 131.93 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.71 137.36 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.310000000000002 110.907 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.51 118.93 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.040000000000006 110.824 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.69 123.83 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 65.099999999999994 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -97.08 117.32 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 63.539999999999999 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.94 152.43 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -61.01 179.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 52.32 110.915 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 118.32 30.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 54.409999999999997 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.93 15.45 59.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.109999999999999 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.643 ' HB3' HG22 ' A' ' 29' ' ' THR . 39.7 m -112.42 165.3 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 75.329999999999998 110.875 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 29' ' ' THR . 89.9 m -141.48 117.82 10.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 63.549999999999997 111.132 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.15 97.45 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.836 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.629 HG22 ' CG ' ' A' ' 5' ' ' GLN . 94.3 t -105.98 142.9 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 111.132 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -115.74 104.4 11.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.931 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.06 -26.06 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.855 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.52 -1.15 34.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 71.239999999999995 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . . . 79.73 -159.2 43.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 51.409999999999997 112.475 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.571 ' CD1' HD12 ' A' ' 73' ' ' ILE . 48.5 mm -78.59 -23.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 72.150000000000006 111.152 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.09 -43.69 91.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.329999999999998 110.839 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.81 -32.87 74.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.040000000000006 110.861 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.913 HD23 HD21 ' A' ' 71' ' ' LEU . 5.2 tp -71.29 -34.68 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 110.925 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -57.88 -50.39 73.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 73.409999999999997 110.915 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.27 -34.17 77.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.420000000000002 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 62' ' ' LEU . 2.8 mt -51.68 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.941 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 t -60.23 -26.71 66.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.420000000000002 111.142 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.51 34.0 5.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 71.230000000000004 112.495 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.5 137.53 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 75.329999999999998 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -91.66 14.37 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.229999999999997 110.89 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -110.48 -16.95 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 61.130000000000003 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HD23 ' A' ' 62' ' ' LEU . 9.3 tt -58.5 116.25 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.909 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -131.8 148.91 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.040000000000006 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 62' ' ' LEU . 70.9 mt -107.15 133.05 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.229999999999997 111.08 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.21 153.58 71.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 63.109999999999999 110.91 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.97 9.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 70.420000000000002 112.379 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -72.1 136.88 46.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 52.310000000000002 111.101 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 71.230000000000004 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -143.63 118.85 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.319999999999993 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -118.51 131.69 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 6' ' ' THR . 5.0 t -135.98 120.19 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.166 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.48 ' HA ' HG23 ' A' ' 52' ' ' THR . 5.2 t0 -93.16 43.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 63.399999999999999 110.875 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.31 167.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.077 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.82 155.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.616 ' HE2' HD21 ' A' ' 47' ' ' LEU . 41.1 p90 -146.69 164.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.885 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD22 HG12 ' A' ' 42' ' ' VAL . 13.7 mt -102.48 142.98 32.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 62.399999999999999 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -120.31 130.74 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.931 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.52 124.85 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 111.131 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.91 -131.91 1.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 64.439999999999998 112.478 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.54 26.07 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 64.030000000000001 110.858 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 53.1 66.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 140.6 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 111.089 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -17.12 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.829 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.7 mtt180 -100.2 14.75 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -55.77 -34.26 65.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.924 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -50.57 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.109999999999999 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.37 -42.72 99.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 72.120000000000005 110.923 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 19' ' ' ARG . 95.4 t -57.51 -45.31 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.119999999999997 111.129 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.5 mmt -74.87 -35.54 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.150000000000006 110.912 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.49 -24.58 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 110.871 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 1.8 t -52.1 -26.65 11.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.120000000000005 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.25 121.59 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 73.040000000000006 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.77 -27.83 31.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 110.882 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.512 HG21 ' HA ' ' A' ' 53' ' ' PHE . 10.5 p -52.74 -36.01 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 63.109999999999999 111.166 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.5 132.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 111.126 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.37 -43.0 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.25 161.7 39.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.530000000000001 111.078 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -131.92 143.15 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 54.520000000000003 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -140.73 135.26 31.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 151.56 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.150000000000006 110.892 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -88.97 117.31 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.040000000000006 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -63.67 -34.31 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.340000000000003 110.903 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.72 -41.1 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -126.7 115.87 20.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.828 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 -23.51 65.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -95.53 30.73 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.855 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.562 HG12 HD22 ' A' ' 11' ' ' LEU . 59.9 t -140.95 141.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.409999999999997 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.64 135.51 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 64.439999999999998 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.532 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.44 119.08 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 74.519999999999996 110.855 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.9 115.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.030000000000001 111.162 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.7 m -92.92 110.28 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.519999999999996 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.616 HD21 ' HE2' ' A' ' 10' ' ' PHE . 55.5 mt -77.58 148.58 35.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.099999999999994 110.921 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -58.12 152.9 15.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 110.944 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -64.99 110.0 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 72.129999999999995 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.11 14.06 43.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 73.200000000000003 112.472 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -109.76 161.56 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 71.450000000000003 110.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 7' ' ' ASP . 36.7 m -144.99 117.35 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.439999999999998 111.162 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' THR . 0.7 OUTLIER -77.4 105.27 8.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.887 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -106.19 131.86 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 70.219999999999999 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 3' ' ' THR . 3.5 mp -104.0 103.99 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.230000000000004 110.901 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -66.07 -31.2 71.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.859 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.14 -8.48 33.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 75.230000000000004 112.486 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.647 ' C ' HD23 ' A' ' 55' ' ' LEU . . . 90.59 -160.5 27.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 74.349999999999994 112.522 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 55' ' ' LEU . 26.0 mm -78.61 -23.33 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 74.010000000000005 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -33.19 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.896 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 HD21 ' A' ' 55' ' ' LEU . 12.1 tp -66.73 -35.09 79.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 62.340000000000003 110.936 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -64.23 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.96 -36.2 83.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.943 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -51.74 -64.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 70.409999999999997 110.896 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -73.91 -25.59 60.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.188 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.75 30.21 10.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 73.219999999999999 112.489 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.24 114.72 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.329999999999998 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 m -69.35 -26.09 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.439999999999998 110.885 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -69.22 -16.93 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 60.340000000000003 111.107 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.15 111.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 54.439999999999998 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.25 158.92 36.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.532 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.5 mt -118.57 132.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.420000000000002 111.162 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -127.48 153.59 77.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 74.239999999999995 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.8 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 72.319999999999993 112.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.7 tpt -72.67 116.08 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.230000000000004 110.932 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.420000000000002 111.122 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.867 0.365 . . . . 73.329999999999998 111.134 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -133.02 121.94 23.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.219999999999999 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.699 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -128.19 136.95 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.941 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -142.66 131.33 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.530000000000001 111.152 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -102.77 37.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.9 165.0 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 74.140000000000001 111.09 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.89 155.14 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 63.130000000000003 110.846 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 43.1 p90 -149.06 160.6 43.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 110.859 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 42' ' ' VAL . 17.4 mt -102.34 140.77 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 51.32 110.92 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 73' ' ' ILE . 3.4 tp -118.8 136.07 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 62.299999999999997 110.886 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 42' ' ' VAL . 84.5 t -126.62 124.73 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.140000000000001 111.178 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.33 -123.01 1.73 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 33.039999999999999 112.519 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -122.77 23.27 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 73.25 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.8 52.87 5.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 74.109999999999999 110.879 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 p -76.59 140.16 40.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 111.151 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -67.64 -17.21 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.209999999999994 110.861 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.1 mtm-85 -92.33 14.38 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 64.209999999999994 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -59.62 -35.98 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.409999999999997 110.877 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.12 -43.21 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.040000000000006 110.864 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 26' ' ' THR . 8.4 tp10 -66.28 -45.14 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 72.299999999999997 110.87 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 19' ' ' ARG . 89.1 t -57.31 -44.34 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 45' ' ' VAL . 11.2 mmt -73.78 -37.3 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.349999999999994 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -29.55 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.91 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 22' ' ' GLU . 22.8 p -55.47 -23.22 24.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.702 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 m-85 -96.89 119.17 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 74.530000000000001 110.893 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.46 -15.17 60.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 71.129999999999995 110.822 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.671 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.1 m -73.39 -26.21 60.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 65.030000000000001 111.142 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 45' ' ' VAL . 4.6 p -70.27 142.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 51.409999999999997 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -120.33 -39.42 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 55.229999999999997 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.23 153.44 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.129999999999995 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.13 148.21 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.129999999999995 111.117 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -143.73 135.49 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 159.46 30.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.872 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.93 115.15 28.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.849 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.79 -33.54 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.65 -52.48 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 65.409999999999997 110.899 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -131.77 112.47 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.51 -20.87 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -76.64 -5.06 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 73.510000000000005 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 13' ' ' VAL . 21.3 t -112.23 136.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 111.146 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.03 130.71 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 53.340000000000003 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.02 118.77 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.129999999999995 110.89 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 30' ' ' VAL . 93.8 t -98.23 112.34 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 111.171 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.85 110.9 22.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 64.099999999999994 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 29' ' ' THR . 30.4 mt -72.23 163.33 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.140000000000001 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -72.35 179.32 3.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -93.6 114.96 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.010000000000005 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.35 12.27 54.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 73.420000000000002 112.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.3 m -112.72 166.52 11.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.958 0.409 . . . . 73.519999999999996 110.853 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.41 ' C ' HG21 ' A' ' 29' ' ' THR . 96.5 m -139.7 123.65 17.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 64.340000000000003 111.098 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.671 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -84.71 96.33 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 110.906 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.699 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.2 t -106.0 143.65 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 111.091 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 3' ' ' THR . 4.5 mp -121.46 104.3 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 60.240000000000002 110.916 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.946 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.13 -9.13 20.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 44.439999999999998 112.491 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.96 -149.77 28.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 54.140000000000001 112.47 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' HD12 ' A' ' 73' ' ' ILE . 29.1 mm -78.69 -23.39 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 75.349999999999994 111.154 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -45.7 93.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.329999999999998 110.868 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -33.02 68.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.912 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.774 HD23 HD21 ' A' ' 71' ' ' LEU . 8.5 tp -66.82 -35.39 79.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 71.420000000000002 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.39 -40.48 95.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.93 -34.42 78.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.049999999999997 110.957 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.239999999999995 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 71' ' ' LEU . 14.6 t -68.06 -25.36 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 70.430000000000007 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.56 28.77 15.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 61.130000000000003 112.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -135.49 114.1 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 75.349999999999994 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -65.72 -25.7 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 61.530000000000001 110.886 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -67.28 -16.92 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.329999999999998 111.131 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD21 HD23 ' A' ' 62' ' ' LEU . 10.3 tt -55.27 116.07 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.040000000000006 110.934 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.19 150.05 51.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 73.329999999999998 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 62' ' ' LEU . 69.4 mt -110.65 132.92 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.219999999999999 111.156 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -130.07 153.53 81.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 70.120000000000005 110.89 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 114.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 62.439999999999998 112.352 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.72 131.24 45.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 43.219999999999999 110.934 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 111.128 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.837 0.351 . . . . 74.409999999999997 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 55' ' ' LEU . 41.7 t80 -146.47 118.98 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.87 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.654 ' HG3' HG22 ' A' ' 54' ' ' VAL . 4.9 tm0? -123.02 138.26 54.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 64.299999999999997 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.471 HG21 ' CD2' ' A' ' 10' ' ' PHE . 10.1 t -146.38 127.8 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.140000000000001 111.163 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.95 39.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 63.549999999999997 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -175.11 169.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.399999999999999 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -51.78 164.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 53.439999999999998 110.838 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 6' ' ' THR . 18.5 p90 -156.23 161.08 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 110.858 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -102.52 154.34 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.140000000000001 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -132.36 146.54 52.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.310000000000002 110.925 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.93 124.82 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 72.209999999999994 111.133 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.79 -131.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 65.439999999999998 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -123.6 25.9 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 63.549999999999997 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 54.15 75.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 72.109999999999999 110.857 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -106.77 140.96 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -24.89 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.882 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 32.5 mtt-85 -76.85 -10.49 59.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.420000000000002 110.869 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.652 ' HE1' HD22 ' A' ' 12' ' ' LEU . 19.7 t80 -56.37 -44.78 80.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 110.938 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.54 -44.52 90.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 74.129999999999995 110.896 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 26' ' ' THR . 7.5 tt0 -63.43 -47.45 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 19' ' ' ARG . 90.0 t -57.46 -42.88 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 52.140000000000001 111.113 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.37 -35.77 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 64.109999999999999 110.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -33.69 72.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 22' ' ' GLU . 19.8 p -56.45 -23.71 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 75.329999999999998 111.142 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.36 113.4 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 71.349999999999994 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -53.63 -28.07 30.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 51' ' ' SER . 0.2 OUTLIER -66.33 -30.79 71.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.329999999999998 111.158 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 45' ' ' VAL . 84.9 t -72.9 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 71.010000000000005 111.156 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -97.29 -43.19 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 70.140000000000001 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.5 169.62 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 111.132 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.38 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.030000000000001 111.126 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -143.26 135.41 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 61.509999999999998 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 142.17 30.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.439999999999998 110.854 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -81.12 113.01 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 72.519999999999996 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.01 -29.88 68.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.130000000000003 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.82 -45.55 67.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.916 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.77 122.37 28.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 53.439999999999998 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.31 -22.35 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.825 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -95.54 32.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 75.430000000000007 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -141.57 132.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.27 139.51 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.150000000000006 110.939 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptp -109.25 118.93 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 30' ' ' VAL . 97.1 t -93.74 127.07 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 74.049999999999997 111.104 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.42 109.42 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 55.200000000000003 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 10' ' ' PHE . 84.7 mt -75.54 157.76 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 70.409999999999997 110.912 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -72.3 134.58 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.019999999999996 110.918 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.82 111.38 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.91 2.95 30.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 50.439999999999998 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 29' ' ' THR . 48.6 m -111.53 169.27 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 72.209999999999994 110.869 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 ' C ' HG21 ' A' ' 29' ' ' THR . 92.5 m -141.1 115.03 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 65.420000000000002 111.161 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -79.44 97.49 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.858 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.5 t -105.97 143.68 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.239999999999995 111.166 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' A' ' 4' ' ' PHE . 54.4 mt -119.31 104.36 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 63.420000000000002 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -60.45 -41.83 94.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.439999999999998 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.17 -25.65 23.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 62.130000000000003 112.461 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.0 -153.04 18.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 74.450000000000003 112.509 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.9 mm -78.24 -23.49 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 63.340000000000003 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.45 -45.36 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.109999999999999 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.95 -33.65 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.400000000000006 110.873 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.662 ' CD2' HD11 ' A' ' 73' ' ' ILE . 9.6 tp -69.62 -37.49 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.67 -40.12 92.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -35.04 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.240000000000002 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.75 -68.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.310000000000002 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.1 t -70.71 -24.05 62.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.109999999999999 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 43.25 5.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 44.32 112.485 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.85 114.08 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 71.209999999999994 110.803 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -69.01 -25.31 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 43.240000000000002 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -65.11 -23.78 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.140000000000001 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD21 HD23 ' A' ' 62' ' ' LEU . 10.0 tt -52.08 110.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -123.05 161.22 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 62' ' ' LEU . 61.6 mt -126.89 133.15 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 74.230000000000004 111.123 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.68 153.66 79.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 71.439999999999998 110.968 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 75.329999999999998 112.35 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.56 121.08 15.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.439999999999998 110.844 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 64.120000000000005 111.146 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 44.310000000000002 111.155 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 55' ' ' LEU . 45.8 t80 -146.92 118.92 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 65.439999999999998 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.657 ' CG ' HG22 ' A' ' 54' ' ' VAL . 5.4 tm0? -122.72 135.96 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.420000000000002 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -137.27 122.31 19.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 52' ' ' THR . 24.4 t0 -92.84 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.019999999999996 110.814 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -177.08 166.13 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -52.06 158.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.209999999999994 110.866 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.618 ' HE1' HD21 ' A' ' 47' ' ' LEU . 21.0 p90 -147.64 172.57 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 110.897 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 44' ' ' MET . 13.8 mt -106.79 157.48 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.946 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -124.42 132.7 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 52.219999999999999 110.92 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.55 125.2 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.71 -138.26 2.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 75.430000000000007 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -97.87 25.93 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.129999999999995 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.59 42.8 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.24 149.86 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 54.439999999999998 111.129 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 m -67.31 -15.92 63.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 70.340000000000003 110.863 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.5 mtt180 -77.7 -22.08 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 72.319999999999993 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 12' ' ' LEU . 2.5 m-85 -59.95 -44.93 94.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.922 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.09 -38.06 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.540000000000006 110.906 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 tm-20 -66.89 -47.62 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 19' ' ' ARG . 84.3 t -61.56 -39.19 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.13 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.706 ' CE ' HD21 ' A' ' 62' ' ' LEU . 11.1 mmt -73.14 -33.75 65.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.509999999999998 110.912 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.0 p -57.84 -22.33 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 71.109999999999999 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.2 117.44 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -53.65 -30.38 42.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.599 ' OG1' HD22 ' A' ' 47' ' ' LEU . 3.4 t -66.27 -29.79 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.129999999999995 111.177 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 45' ' ' VAL . 84.7 t -79.1 132.61 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 111.121 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -103.23 -45.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.209999999999994 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.91 150.33 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 74.409999999999997 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.43 142.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.085 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -137.96 135.41 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.340000000000003 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 158.13 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.209999999999994 110.929 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.37 112.89 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -53.57 -31.55 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 70.140000000000001 110.859 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.05 -46.9 61.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 70.140000000000001 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -131.36 124.78 31.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 60.109999999999999 110.88 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.58 -20.64 64.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.81 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -94.99 29.0 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 11' ' ' LEU . 59.6 t -141.73 132.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.010000000000005 111.14 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.9 128.42 42.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.879 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.706 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -91.47 118.68 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.510000000000005 110.861 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 30' ' ' VAL . 84.6 t -100.0 113.73 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.400000000000006 111.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 m -93.25 112.87 24.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.618 HD21 ' HE1' ' A' ' 10' ' ' PHE . 53.4 mt -77.62 173.35 12.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 110.942 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -88.89 179.3 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.519999999999996 110.912 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -91.96 114.13 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.12 -18.9 38.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 43.32 112.508 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 m -91.26 164.08 14.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.957 0.408 . . . . 42.420000000000002 110.882 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 7' ' ' ASP . 26.8 m -145.17 132.65 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 111.114 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -88.06 96.75 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 63.350000000000001 110.848 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG22 ' CG ' ' A' ' 5' ' ' GLN . 86.5 t -106.0 142.99 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 111.13 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 3' ' ' THR . 44.1 mt -114.27 104.38 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.040000000000006 110.904 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -63.8 -26.39 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 53.140000000000001 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.73 22.99 9.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 25.25 112.524 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . . . 68.79 -155.51 53.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.755 . . . . 43.020000000000003 112.514 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 55' ' ' LEU . 36.2 mm -78.76 -23.18 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 51.340000000000003 111.152 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.28 -45.46 94.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 64.310000000000002 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -32.9 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.896 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 71' ' ' LEU . 13.0 tp -71.01 -42.92 68.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 74.030000000000001 110.961 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.26 -40.2 95.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 110.932 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.47 -35.18 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 70.230000000000004 110.908 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.69 -71.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.602 ' CB ' HG21 ' A' ' 23' ' ' VAL . 14.7 t -61.94 -26.73 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.030000000000001 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.77 21.06 32.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 53.140000000000001 112.463 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.504 ' H ' HG23 ' A' ' 66' ' ' THR . 3.5 t0 -126.1 121.27 32.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 52.439999999999998 110.893 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -80.28 -2.23 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.310000000000002 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.1 p -88.07 -22.9 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 70.010000000000005 111.107 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 62' ' ' LEU . 3.4 tt -52.69 121.42 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 70.409999999999997 110.931 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.07 151.87 50.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.902 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.9 mt -110.71 132.17 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -129.63 153.6 80.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 73.329999999999998 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 73.140000000000001 112.393 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -65.82 128.08 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.030000000000001 110.865 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 75.430000000000007 111.134 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 72.519999999999996 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.03 33.96 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.530000000000001 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -51.85 153.1 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 111.171 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.3 t80 -146.36 118.93 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.120000000000005 110.877 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.721 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -124.43 141.85 51.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.91 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -151.05 131.77 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.143 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -102.54 40.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.88 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 167.15 8.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 111.052 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -52.29 157.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.140000000000001 110.829 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' HE2' HD21 ' A' ' 47' ' ' LEU . 27.5 p90 -150.21 165.05 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.340000000000003 110.847 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.629 HD22 ' CG1' ' A' ' 42' ' ' VAL . 14.1 mt -102.48 144.1 31.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 70.239999999999995 110.918 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.542 HD12 HG12 ' A' ' 73' ' ' ILE . 3.8 tp -123.74 137.69 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.349999999999994 110.897 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.81 124.77 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 70.450000000000003 111.115 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.01 -121.15 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 75.310000000000002 112.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -130.36 29.29 4.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 61.039999999999999 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.47 67.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.68 140.28 42.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.540000000000006 111.126 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -67.02 -16.71 64.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 43.219999999999999 110.85 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -76.48 -3.33 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 71.129999999999995 110.876 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.93 -34.4 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 110.911 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.94 -45.32 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' THR . 23.0 tp10 -66.66 -43.08 85.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.120000000000005 110.872 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.72 HG21 ' HB ' ' A' ' 66' ' ' THR . 99.2 t -57.27 -45.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 111.123 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 45' ' ' VAL . 8.4 mmt -73.62 -38.02 65.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 70.430000000000007 110.855 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -29.05 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 22' ' ' GLU . 24.0 p -55.56 -23.95 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.239999999999995 111.163 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -102.95 113.07 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.310000000000002 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.54 -27.88 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.049999999999997 110.91 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.663 HG22 HD22 ' A' ' 47' ' ' LEU . 30.3 m -59.3 -28.08 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.230000000000004 111.174 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 45' ' ' VAL . 91.9 t -71.45 130.75 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 111.144 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -105.77 -42.95 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.409999999999997 110.837 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.86 167.03 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.509999999999998 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.76 150.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.519999999999996 111.097 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -143.31 135.22 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 148.91 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.549999999999997 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 118.27 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 65.209999999999994 110.834 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.93 -37.88 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.84 -44.44 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.450000000000003 110.904 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' HB3' HG23 ' A' ' 42' ' ' VAL . 93.8 m-20 -127.63 114.58 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.867 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 -20.83 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.827 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -91.39 14.45 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.310000000000002 110.835 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.629 ' CG1' HD22 ' A' ' 11' ' ' LEU . 48.0 t -126.75 132.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.145 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -132.71 138.55 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 70.010000000000005 110.898 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ptp -105.47 118.89 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 74.510000000000005 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 24' ' ' MET . 90.5 t -97.69 125.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 52.240000000000002 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.71 112.21 24.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 29' ' ' THR . 57.3 mt -76.07 162.07 28.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 71.019999999999996 110.91 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.13 132.64 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 61.009999999999998 110.891 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -54.23 107.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 63.420000000000002 110.888 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.68 -19.26 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 65.030000000000001 112.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG23 ' A' ' 29' ' ' THR . 39.7 m -90.64 166.4 13.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 62.210000000000001 110.844 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 54' ' ' VAL . 88.0 m -140.41 113.84 8.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 72.129999999999995 111.161 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.635 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -77.22 95.05 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 75.310000000000002 110.852 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.721 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.0 t -105.96 142.9 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 71.430000000000007 111.128 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' A' ' 4' ' ' PHE . 59.7 mt -116.84 104.29 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 71.230000000000004 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.09 -25.27 63.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.319999999999993 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.25 27.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 73.519999999999996 112.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.8 -158.85 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 70.099999999999994 112.498 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.543 ' CD1' HD12 ' A' ' 73' ' ' ILE . 35.9 mm -78.85 -23.06 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 65.319999999999993 111.151 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.07 -45.63 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 74.120000000000005 110.913 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.82 -32.88 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.140000000000001 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.939 HD23 HD21 ' A' ' 71' ' ' LEU . 11.8 tp -71.04 -36.38 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.439999999999998 110.88 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.0 -33.94 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 71.400000000000006 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.913 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.88 -65.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.230000000000004 110.925 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.72 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.3 t -69.5 -24.97 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 111.138 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.02 31.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.756 . . . . 72.340000000000003 112.473 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.45 127.41 31.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 74.519999999999996 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.7 m -75.96 -21.48 56.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.519999999999996 110.877 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -65.03 -23.36 67.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 63.229999999999997 111.17 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD23 ' A' ' 62' ' ' LEU . 7.3 tt -51.86 115.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.349999999999994 110.919 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -130.2 162.24 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 64.310000000000002 110.929 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 62' ' ' LEU . 53.5 mt -126.81 133.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.430000000000007 111.131 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.26 153.62 81.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.340000000000003 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 71.319999999999993 112.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.03 121.82 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.310000000000002 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mt -88.91 130.84 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 65.299999999999997 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.3 p -78.5 133.24 63.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 54.340000000000003 111.112 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 78' ' ' VAL . 53.7 Cg_endo -69.81 159.41 53.48 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 73.150000000000006 112.31 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.2 t -107.99 148.46 29.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.310000000000002 111.201 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 p -101.1 109.33 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.119999999999997 111.128 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 75.420000000000002 110.886 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.9 mtp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.777 0.322 . . . . 73.349999999999994 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.59 60.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 111.103 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p -52.12 158.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 72.120000000000005 111.162 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.652 ' HB3' HD12 ' A' ' 55' ' ' LEU . 34.7 t80 -146.96 118.96 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.109999999999999 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.72 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -124.03 137.56 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.420000000000002 110.885 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 10' ' ' PHE . 5.2 t -147.23 122.51 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 42.109999999999999 111.145 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -93.03 43.71 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.120000000000005 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.09 168.02 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 52.229999999999997 111.085 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -51.63 158.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.450000000000003 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' CD2' HG21 ' A' ' 6' ' ' THR . 27.3 p90 -153.41 164.46 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.841 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.48 156.87 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 43.450000000000003 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.508 HD11 ' HG ' ' A' ' 71' ' ' LEU . 9.5 tp -133.58 131.44 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.92 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.67 125.09 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 42.340000000000003 111.134 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.94 -138.53 2.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 52.119999999999997 112.452 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -98.82 17.64 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 73.319999999999993 110.878 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.6 t0 51.36 57.61 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.109999999999999 110.848 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.77 140.49 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 72.409999999999997 111.17 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -67.24 -16.96 64.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 62.340000000000003 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.1 ttp180 -84.99 4.29 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 110.853 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -57.29 -34.87 69.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.350000000000001 110.884 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.75 -45.98 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 71.219999999999999 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -66.47 -47.63 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.019999999999996 110.915 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 ' HB ' ' A' ' 66' ' ' THR . 92.6 t -57.34 -43.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.430000000000007 111.171 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.619 ' CE ' HG11 ' A' ' 45' ' ' VAL . 82.4 mmm -73.44 -38.12 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 62.439999999999998 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -27.69 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 61.130000000000003 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 p -55.29 -23.88 25.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 60.350000000000001 111.144 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.67 113.18 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 62.219999999999999 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.6 -27.48 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 71.430000000000007 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 51' ' ' SER . 41.2 p -58.66 -29.16 66.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 111.119 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.29 109.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 73.430000000000007 111.132 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.97 -38.76 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.150000000000006 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.32 165.15 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 73.319999999999993 111.128 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.18 151.26 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -145.41 135.35 23.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 71.129999999999995 110.881 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 168.4 15.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.109999999999999 110.881 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -108.52 111.5 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 64.230000000000004 110.805 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.6 -32.12 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 75.439999999999998 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.55 -38.7 62.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 60.140000000000001 110.942 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG23 ' A' ' 42' ' ' VAL . 54.5 m-20 -131.77 115.39 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.924 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.36 -21.14 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.209999999999994 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -95.51 25.7 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' A' ' 39' ' ' ASP . 55.7 t -136.65 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.209999999999994 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -135.96 145.48 46.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 53.439999999999998 110.943 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 118.84 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.109999999999999 110.915 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG11 ' CE ' ' A' ' 24' ' ' MET . 31.9 t -95.45 128.08 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 70.230000000000004 111.136 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 100.0 m -97.93 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.9 mt -78.06 142.97 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.299999999999997 110.931 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -53.44 158.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 110.921 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.45 103.5 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.549999999999997 110.956 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.66 -34.43 5.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 63.439999999999998 112.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.611 ' HB3' HG22 ' A' ' 29' ' ' THR . 38.8 m -64.42 164.6 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 72.230000000000004 110.864 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.437 ' O ' HG21 ' A' ' 29' ' ' THR . 89.8 m -140.35 118.35 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 42.130000000000003 111.161 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.7 98.49 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 73.209999999999994 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.1 t -105.97 143.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.150000000000006 111.125 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 4' ' ' PHE . 48.9 mt -118.4 104.33 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 53.340000000000003 110.895 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.62 -36.99 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 110.896 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.15 -19.8 32.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 52.409999999999997 112.468 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.72 -154.81 21.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 72.299999999999997 112.51 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.522 ' CD1' HD12 ' A' ' 73' ' ' ILE . 25.8 mm -78.3 -23.14 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 74.019999999999996 111.137 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -61.1 -45.38 94.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.85 -33.59 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 71.239999999999995 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.794 HD23 HD21 ' A' ' 71' ' ' LEU . 8.4 tp -71.18 -35.84 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.109999999999999 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -63.46 -46.17 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.09 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 74.540000000000006 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.779 ' HB ' HG21 ' A' ' 23' ' ' VAL . 3.8 t -67.82 -26.13 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 53.210000000000001 111.112 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.33 -13.28 54.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 72.340000000000003 112.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.7 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -79.78 102.69 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.341 . . . . 75.420000000000002 110.863 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 t -68.31 -19.73 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.904 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.9 p -94.86 24.64 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 74.299999999999997 111.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 HD23 ' A' ' 62' ' ' LEU . 5.4 tt -79.9 118.29 21.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.040000000000006 110.89 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -120.58 154.26 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.109999999999999 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.702 HD11 ' CD2' ' A' ' 62' ' ' LEU . 57.7 mt -127.34 128.03 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.26 158.52 68.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 71.519999999999996 110.877 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.45 9.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 73.299999999999997 112.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.8 124.19 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.899 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt -87.25 133.77 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.32 111.15 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.3 p -79.32 133.25 60.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.7 . . . . 62.229999999999997 111.14 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.74 120.64 7.4 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.678 2.252 . . . . 70.329999999999998 112.317 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 135.45 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.200000000000003 111.137 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -66.76 131.51 46.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 65.310000000000002 111.112 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.140000000000001 110.949 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 64.430000000000007 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.14 52.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 72.409999999999997 111.148 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -52.32 147.03 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 60.310000000000002 111.124 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -136.64 118.57 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 54.229999999999997 110.854 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -119.39 132.93 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.329999999999998 110.898 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 HG21 ' CD2' ' A' ' 10' ' ' PHE . 6.3 t -140.84 123.28 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 60.32 111.111 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -95.15 44.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.409999999999997 110.888 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.28 169.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.099999999999994 111.069 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -51.62 156.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.349999999999994 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 47' ' ' LEU . 16.4 p90 -148.55 158.41 44.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -102.65 144.74 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 73.120000000000005 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 138.63 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 43.140000000000001 110.932 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.1 t -124.61 124.79 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.539999999999999 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.82 -141.59 3.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 64.040000000000006 112.484 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -99.27 22.56 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 72.209999999999994 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 51.7 55.78 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.200000000000003 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -82.42 140.83 33.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 71.150000000000006 111.128 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.329999999999998 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 tpt180 -78.08 -2.17 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -55.8 -34.11 65.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.22 -46.09 65.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 53.340000000000003 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -66.87 -43.1 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.149999999999999 110.879 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 19' ' ' ARG . 94.9 t -57.64 -45.09 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 53.43 111.105 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 45' ' ' VAL . 14.0 mmt -73.57 -35.1 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 110.885 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -23.14 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.88 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.3 p -52.0 -28.98 18.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 52.030000000000001 111.089 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.93 120.69 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.540000000000006 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.23 -26.61 40.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.349999999999994 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 51' ' ' SER . 26.5 m -53.86 -29.75 42.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 50.219999999999999 111.133 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG13 HG13 ' A' ' 45' ' ' VAL . 86.0 t -70.53 104.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 52.240000000000002 111.124 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -77.62 -42.62 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 168.0 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 71.109999999999999 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.07 150.55 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.120000000000005 111.093 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -142.83 135.45 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.239999999999995 110.888 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 163.17 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.319999999999993 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.24 119.3 38.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 110.857 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.72 -28.9 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 74.439999999999998 110.907 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -36.91 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 110.88 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -131.84 118.4 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.340000000000003 110.868 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.57 -23.0 64.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.010000000000005 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -95.67 30.8 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.19 134.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 111.192 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -139.54 141.2 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.903 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.5 ptp -113.2 118.74 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 65.239999999999995 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 24' ' ' MET . 85.5 t -95.24 127.37 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.299999999999997 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -98.85 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 62.200000000000003 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 HG22 ' A' ' 29' ' ' THR . 66.0 mt -81.8 146.41 29.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.885 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -64.37 133.17 52.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 71.120000000000005 110.848 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -51.99 117.71 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 54.539999999999999 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.82 -19.95 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 50.109999999999999 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.631 ' CB ' HG23 ' A' ' 29' ' ' THR . 33.6 m -91.89 161.89 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 64.140000000000001 110.83 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -142.28 122.09 13.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 63.219999999999999 111.14 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.05 104.79 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 60.439999999999998 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.449 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.3 t -106.19 138.98 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 51.130000000000003 111.125 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 55' ' ' LEU . 1.3 mm? -110.84 104.93 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.957 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -66.08 -29.97 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.519999999999996 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.7 -14.83 14.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 74.209999999999994 112.489 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.86 -160.3 21.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 63.329999999999998 112.488 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.51 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.8 mm -78.48 -21.94 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 75.150000000000006 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.51 -45.66 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.439999999999998 110.881 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -32.8 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 65.120000000000005 110.867 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 HD23 HD21 ' A' ' 71' ' ' LEU . 14.8 tp -71.16 -35.8 71.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.120000000000005 110.892 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -64.45 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -40.22 93.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.5 -69.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 65.409999999999997 110.871 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 68' ' ' ASP . 2.8 t -63.25 -28.19 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 111.11 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 1.29 63.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 61.539999999999999 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.707 ' H ' HG23 ' A' ' 66' ' ' THR . 1.4 t70 -107.07 112.66 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 72.040000000000006 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -68.72 -24.75 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.129999999999995 110.901 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -15.49 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 72.450000000000003 111.183 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 66' ' ' THR . 8.8 tt -59.56 113.25 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HA ' HG21 ' A' ' 59' ' ' ILE . 3.8 mt-10 -133.96 148.29 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 73.510000000000005 110.914 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.1 mt -106.36 133.11 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 71.450000000000003 111.097 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.72 153.51 79.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 64.239999999999995 110.945 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 35.140000000000001 112.387 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 ttt -54.1 127.23 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.240000000000002 110.865 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.75 128.72 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.120000000000005 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.429 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.3 t -99.52 133.34 21.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 55.030000000000001 111.16 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.429 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.75 170.12 17.31 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.708 2.272 . . . . 74.349999999999994 112.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 m -98.54 130.27 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 62.450000000000003 111.144 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -102.27 156.29 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 75.430000000000007 111.15 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.349999999999994 110.851 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.746 0.308 . . . . 74.019999999999996 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.43 67.03 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 63.32 111.08 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -51.92 156.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.230000000000004 111.167 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD12 ' A' ' 55' ' ' LEU . 16.0 t80 -146.89 118.95 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.209999999999994 110.884 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.605 ' HG3' HG22 ' A' ' 54' ' ' VAL . 1.1 tm0? -124.46 137.96 54.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 62.130000000000003 110.922 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 10' ' ' PHE . 11.1 t -150.88 131.63 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 111.139 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.86 32.09 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 110.823 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.21 166.23 30.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.340000000000003 111.113 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.05 156.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.851 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.637 ' CE2' HD21 ' A' ' 47' ' ' LEU . 20.7 p90 -150.78 159.8 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 72.430000000000007 110.844 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -102.33 154.01 19.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.099999999999994 110.94 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.37 145.68 51.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 72.409999999999997 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.71 124.94 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.549999999999997 111.174 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.93 -135.99 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 45.039999999999999 112.495 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.13 22.91 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 45.340000000000003 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 58.27 56.47 4.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.140000000000001 110.853 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.47 140.87 43.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 111.17 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -66.54 -17.15 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.210000000000001 110.868 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 23' ' ' VAL . 93.9 mtt180 -92.03 14.45 15.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 74.329999999999998 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -57.72 -40.63 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 71.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.13 -40.76 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 17.1 tt0 -64.96 -47.65 76.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.150000000000006 110.923 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 19' ' ' ARG . 96.9 t -57.92 -42.46 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 61.5 111.153 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt -73.7 -37.92 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 64.200000000000003 110.891 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.52 -28.65 60.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.319999999999993 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' GLU . 21.9 p -55.5 -23.76 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 73.340000000000003 111.14 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.77 114.34 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.209999999999994 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.58 -27.46 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 63.530000000000001 110.864 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.735 HG21 ' N ' ' A' ' 53' ' ' PHE . 1.3 m -59.09 -31.41 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.329999999999998 111.174 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 45' ' ' VAL . 99.4 t -70.38 134.1 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.109999999999999 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -112.9 -41.37 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.129999999999995 110.903 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.96 164.74 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 51.210000000000001 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.91 150.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 55.049999999999997 111.122 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -145.52 135.33 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.129999999999995 110.898 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.109999999999999 110.915 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -90.18 119.08 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.420000000000002 110.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.37 -36.23 83.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 71.430000000000007 110.853 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.21 -38.96 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' CG ' HG23 ' A' ' 42' ' ' VAL . 43.1 t0 -130.84 116.38 17.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 71.140000000000001 110.885 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.57 -20.85 64.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 62.219999999999999 110.866 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -94.99 30.15 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 73.310000000000002 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' CG ' ' A' ' 39' ' ' ASP . 58.0 t -141.62 143.6 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 111.098 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -141.62 136.88 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.020000000000003 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 ptp -102.86 122.14 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 52.409999999999997 110.87 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 24' ' ' MET . 96.8 t -99.1 124.47 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 64.519999999999996 111.128 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.06 111.64 23.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.430000000000007 110.843 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' A' ' 10' ' ' PHE . 62.1 mt -77.36 155.58 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -71.62 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.84 109.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.319999999999993 110.934 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.72 1.82 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 75.329999999999998 112.512 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.8 m -111.07 166.88 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 44.509999999999998 110.824 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.7 m -140.64 112.3 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 43.350000000000001 111.128 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.735 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -75.45 97.96 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 5' ' ' GLN . 94.9 t -106.05 143.27 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 4' ' ' PHE . 47.3 mt -118.89 104.28 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 63.130000000000003 110.896 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -65.92 -31.39 72.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.310000000000002 110.899 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.62 -12.45 37.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 64.329999999999998 112.507 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.92 -157.02 25.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 63.119999999999997 112.445 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.597 ' CD1' HD12 ' A' ' 73' ' ' ILE . 37.3 mm -78.89 -23.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 54.039999999999999 111.097 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.17 -45.58 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.450000000000003 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -65.95 -32.85 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.912 HD23 HD21 ' A' ' 71' ' ' LEU . 10.6 tp -67.46 -41.23 84.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.519999999999996 110.928 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -59.07 -40.39 85.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 110.857 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.02 -34.92 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.120000000000005 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.64 -74.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.200000000000003 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.471 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.9 t -62.73 -24.18 67.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 111.132 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.37 31.39 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 42.140000000000001 112.498 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.73 118.94 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.25 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -77.57 -20.83 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.911 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.9 p -85.99 5.69 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 71.230000000000004 111.164 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.912 HD21 HD23 ' A' ' 62' ' ' LEU . 6.6 tt -72.41 113.26 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 71.340000000000003 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.32 160.07 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 72.239999999999995 110.892 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.2 mt -126.09 133.17 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -130.62 153.56 81.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 71.019999999999996 110.912 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.281 . . . . 71.140000000000001 112.354 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.3 tpt -64.35 145.5 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 72.310000000000002 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.6 mm -115.0 136.27 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 72.310000000000002 111.141 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.3 t -114.43 133.32 22.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 72.109999999999999 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 -179.77 3.17 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.629 2.22 . . . . 71.219999999999999 112.323 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -121.19 -41.06 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 71.109999999999999 111.11 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.9 p -68.5 127.91 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 55.210000000000001 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 110.855 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 74.310000000000002 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.9 66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.07 159.02 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 63.439999999999998 111.152 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -145.74 122.94 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.420000000000002 110.845 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.619 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -131.6 135.02 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 75.420000000000002 110.885 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -139.16 126.38 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.349999999999994 111.157 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.07 37.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 75.540000000000006 110.902 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.89 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 65.439999999999998 111.083 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.68 160.19 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 75.209999999999994 110.897 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' HD21 ' A' ' 47' ' ' LEU . 17.6 p90 -151.64 156.99 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.420000000000002 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.52 148.66 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 74.230000000000004 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -121.34 137.26 54.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 73.109999999999999 110.946 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.08 125.77 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 111.076 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 -140.1 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.200000000000003 112.484 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.24 16.12 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 74.420000000000002 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.7 t0 51.99 73.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.310000000000002 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -110.58 150.17 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 61.210000000000001 111.173 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.1 t -67.05 -15.87 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 60.229999999999997 110.898 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.0 mtt180 -75.9 -21.72 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.549999999999997 110.874 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 71' ' ' LEU . 2.4 m-85 -59.72 -36.99 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.520000000000003 110.931 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -70.01 -48.03 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 75.239999999999995 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.84 -47.6 80.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 64.299999999999997 110.884 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' ARG . 87.3 t -61.76 -36.63 74.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.530000000000001 111.136 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.487 ' CE ' HD11 ' A' ' 62' ' ' LEU . 30.1 mmt -75.13 -37.29 61.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.109999999999999 110.909 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -72.2 -13.07 61.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.209999999999994 110.867 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.3 t -52.83 -26.46 14.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.510000000000005 111.168 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.88 129.86 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.25 -27.1 32.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.8 m -51.66 -35.52 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 52.43 111.146 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 45' ' ' VAL . 91.8 t -80.58 117.66 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 43.43 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -84.53 -46.65 11.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 60.119999999999997 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.15 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 71.150000000000006 111.09 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 ' HE3' ' A' ' 25' ' ' LYS . 67.6 t -131.91 144.73 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.049999999999997 111.114 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -140.1 135.24 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.010000000000005 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 170.05 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.329999999999998 110.916 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.69 116.58 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 50.130000000000003 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.05 -26.08 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 71.329999999999998 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.3 mm? -72.41 -50.38 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 63.409999999999997 110.908 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 42' ' ' VAL . 3.4 m-20 -129.9 128.57 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.420000000000002 110.9 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.1 -22.43 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.219999999999999 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -95.81 29.43 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.420000000000002 110.835 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 39' ' ' ASP . 97.6 t -133.8 132.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 61.520000000000003 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -137.29 130.48 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.22 118.94 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 75.439999999999998 110.899 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 30' ' ' VAL . 59.9 t -95.76 113.13 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.349999999999994 111.148 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 m -90.95 111.29 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD21 ' CE2' ' A' ' 10' ' ' PHE . 46.0 mt -81.53 154.98 25.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 110.923 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.61 136.28 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.510000000000005 110.895 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -59.2 109.59 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 64.400000000000006 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.3 4.17 29.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 54.240000000000002 112.445 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 29' ' ' THR . 40.6 m -111.84 165.8 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 73.099999999999994 110.876 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.418 ' C ' HG21 ' A' ' 29' ' ' THR . 95.8 m -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 53.439999999999998 111.166 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 29' ' ' THR . 4.2 t80 -79.27 101.54 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.019999999999996 110.898 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.7 t -106.0 143.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 64.140000000000001 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD21 HD12 ' A' ' 62' ' ' LEU . 5.5 mp -118.48 104.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 33.299999999999997 110.908 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -55.99 -28.49 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 64.409999999999997 110.888 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.54 -5.83 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 52.119999999999997 112.535 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 -154.69 35.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 32.5 112.492 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CD1' HD12 ' A' ' 73' ' ' ILE . 27.6 mm -78.7 -23.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 62.420000000000002 111.123 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -61.44 -45.75 92.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.903 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -33.15 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.430000000000007 110.873 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -68.57 -41.89 79.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.120000000000005 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -59.05 -41.23 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.430000000000007 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.24 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.209999999999994 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.78 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 50.439999999999998 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.773 HG21 HD13 ' A' ' 71' ' ' LEU . 2.7 t -55.6 -27.2 48.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 111.149 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.38 30.28 9.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 75.420000000000002 112.493 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -138.35 123.76 19.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 64.549999999999997 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.7 m -80.33 -24.47 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 74.450000000000003 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.05 -18.12 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 71.329999999999998 111.143 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 66' ' ' THR . 8.3 tt -55.43 115.81 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 73.010000000000005 110.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.01 154.54 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 72.049999999999997 110.879 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 59' ' ' ILE . 57.7 mt -119.64 131.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 71.450000000000003 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.55 154.81 54.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 73.219999999999999 110.888 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 71.340000000000003 112.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -63.49 138.9 58.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.5 mm -118.21 131.64 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 62.329999999999998 111.082 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.3 p -80.63 133.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 72.340000000000003 111.087 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.72 146.87 61.77 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 75.329999999999998 112.35 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -146.22 130.21 17.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 111.143 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -122.89 164.8 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 71.340000000000003 111.162 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 74.349999999999994 110.884 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ttt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.794 0.331 . . . . 62.310000000000002 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.05 83.57 2.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.230000000000004 111.087 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.94 158.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 111.138 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -143.44 119.42 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 72.219999999999999 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.629 ' CG ' HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -126.92 134.63 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 110.89 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.402 HG21 ' CD2' ' A' ' 10' ' ' PHE . 9.9 t -141.32 127.86 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 111.149 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -97.73 36.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.89 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.57 168.95 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.340000000000003 111.087 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.96 158.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 6' ' ' THR . 21.0 p90 -151.64 161.4 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.109999999999999 110.862 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.97 154.82 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 71' ' ' LEU . 6.0 tp -130.56 129.16 42.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 71.129999999999995 110.905 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -117.93 124.84 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 63.340000000000003 111.145 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.54 -132.16 1.33 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.340000000000003 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -106.02 20.46 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 65.140000000000001 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 51.67 63.73 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 75.239999999999995 110.842 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 140.86 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.530000000000001 111.153 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 t -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 110.825 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -85.64 6.96 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.842 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.92 -39.06 71.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.120000000000005 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.91 -40.93 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 73.209999999999994 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' THR . 29.7 tt0 -65.27 -47.46 76.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.88 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ARG . 58.0 t -58.2 -42.88 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 54.520000000000003 111.111 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mmt -73.18 -37.93 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -54.36 -28.5 43.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.510000000000005 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.5 p -58.41 -21.49 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.349999999999994 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.73 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.219999999999999 110.875 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.91 -27.8 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.150000000000006 110.847 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.643 HG22 ' HB3' ' A' ' 51' ' ' SER . 8.6 p -59.31 -29.71 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 61.450000000000003 111.13 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.18 123.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 62.43 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.63 -41.23 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.41 164.43 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 70.209999999999994 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.99 150.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 62.450000000000003 111.109 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -142.96 135.22 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.219999999999999 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 159.01 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -98.54 107.79 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 75.430000000000007 110.846 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.74 -27.96 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.219999999999999 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 mt -78.74 -37.75 40.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.943 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -131.78 116.03 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.844 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.93 -22.71 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.310000000000002 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -95.74 30.34 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.140000000000001 110.884 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.8 t -140.71 131.93 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.71 137.36 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.310000000000002 110.907 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.51 118.93 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.040000000000006 110.824 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.69 123.83 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 65.099999999999994 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -97.08 117.32 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 63.539999999999999 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.94 152.43 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -61.01 179.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 52.32 110.915 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 118.32 30.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 54.409999999999997 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.93 15.45 59.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.109999999999999 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.643 ' HB3' HG22 ' A' ' 29' ' ' THR . 39.7 m -112.42 165.3 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 75.329999999999998 110.875 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 29' ' ' THR . 89.9 m -141.48 117.82 10.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 63.549999999999997 111.132 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.15 97.45 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.409999999999997 110.836 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.629 HG22 ' CG ' ' A' ' 5' ' ' GLN . 94.3 t -105.98 142.9 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 72.099999999999994 111.132 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -115.74 104.4 11.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.931 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.06 -26.06 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.855 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.52 -1.15 34.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 71.239999999999995 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . . . 79.73 -159.2 43.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 51.409999999999997 112.475 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.571 ' CD1' HD12 ' A' ' 73' ' ' ILE . 48.5 mm -78.59 -23.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 72.150000000000006 111.152 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.09 -43.69 91.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.329999999999998 110.839 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.81 -32.87 74.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.040000000000006 110.861 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.913 HD23 HD21 ' A' ' 71' ' ' LEU . 5.2 tp -71.29 -34.68 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 110.925 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -57.88 -50.39 73.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 73.409999999999997 110.915 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.27 -34.17 77.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.420000000000002 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 62' ' ' LEU . 2.8 mt -51.68 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.941 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 t -60.23 -26.71 66.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.420000000000002 111.142 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.51 34.0 5.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 71.230000000000004 112.495 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.5 137.53 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 75.329999999999998 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -91.66 14.37 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.229999999999997 110.89 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -110.48 -16.95 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 61.130000000000003 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HD23 ' A' ' 62' ' ' LEU . 9.3 tt -58.5 116.25 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 110.909 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -131.8 148.91 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.040000000000006 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 62' ' ' LEU . 70.9 mt -107.15 133.05 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.229999999999997 111.08 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.21 153.58 71.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 63.109999999999999 110.91 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.97 9.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 70.420000000000002 112.379 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -72.1 136.88 46.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.14 139.53 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 52.310000000000002 111.101 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.4 t -86.76 133.26 40.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 70.299999999999997 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.71 157.86 59.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.27 . . . . 71.329999999999998 112.364 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.7 t -122.41 116.22 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 60.049999999999997 111.148 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.2 m -76.42 111.31 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 65.329999999999998 111.17 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 70.420000000000002 110.851 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 64.209999999999994 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.47 82.88 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 55.340000000000003 111.072 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p -51.72 149.51 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 71.230000000000004 111.19 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -143.63 118.85 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.319999999999993 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -118.51 131.69 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.120000000000005 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 6' ' ' THR . 5.0 t -135.98 120.19 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.166 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.48 ' HA ' HG23 ' A' ' 52' ' ' THR . 5.2 t0 -93.16 43.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 63.399999999999999 110.875 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.31 167.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.077 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.82 155.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.616 ' HE2' HD21 ' A' ' 47' ' ' LEU . 41.1 p90 -146.69 164.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.885 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD22 HG12 ' A' ' 42' ' ' VAL . 13.7 mt -102.48 142.98 32.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 62.399999999999999 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -120.31 130.74 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.549999999999997 110.931 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.52 124.85 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 64.219999999999999 111.131 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.91 -131.91 1.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 64.439999999999998 112.478 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.54 26.07 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 64.030000000000001 110.858 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 53.1 66.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.099999999999994 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 140.6 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.420000000000002 111.089 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -17.12 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.829 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.7 mtt180 -100.2 14.75 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -55.77 -34.26 65.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.924 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -50.57 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.109999999999999 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.37 -42.72 99.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 72.120000000000005 110.923 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 19' ' ' ARG . 95.4 t -57.51 -45.31 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.119999999999997 111.129 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.5 mmt -74.87 -35.54 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.150000000000006 110.912 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.49 -24.58 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 110.871 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 1.8 t -52.1 -26.65 11.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.120000000000005 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.25 121.59 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 73.040000000000006 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.77 -27.83 31.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 110.882 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.512 HG21 ' HA ' ' A' ' 53' ' ' PHE . 10.5 p -52.74 -36.01 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 63.109999999999999 111.166 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.5 132.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.140000000000001 111.126 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.37 -43.0 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.230000000000004 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.25 161.7 39.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.530000000000001 111.078 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -131.92 143.15 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 54.520000000000003 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -140.73 135.26 31.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.129999999999995 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 151.56 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.150000000000006 110.892 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -88.97 117.31 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.040000000000006 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -63.67 -34.31 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.340000000000003 110.903 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.72 -41.1 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -126.7 115.87 20.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.828 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 -23.51 65.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.319999999999993 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -95.53 30.73 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.120000000000005 110.855 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.562 HG12 HD22 ' A' ' 11' ' ' LEU . 59.9 t -140.95 141.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.409999999999997 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.64 135.51 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 64.439999999999998 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.532 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.44 119.08 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 74.519999999999996 110.855 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.9 115.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.030000000000001 111.162 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.7 m -92.92 110.28 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.519999999999996 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.616 HD21 ' HE2' ' A' ' 10' ' ' PHE . 55.5 mt -77.58 148.58 35.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.099999999999994 110.921 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -58.12 152.9 15.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 110.944 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -64.99 110.0 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 72.129999999999995 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.11 14.06 43.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 73.200000000000003 112.472 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -109.76 161.56 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 71.450000000000003 110.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 7' ' ' ASP . 36.7 m -144.99 117.35 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.439999999999998 111.162 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' THR . 0.7 OUTLIER -77.4 105.27 8.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.530000000000001 110.887 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -106.19 131.86 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 70.219999999999999 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 3' ' ' THR . 3.5 mp -104.0 103.99 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.230000000000004 110.901 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -66.07 -31.2 71.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.859 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.14 -8.48 33.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 75.230000000000004 112.486 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.647 ' C ' HD23 ' A' ' 55' ' ' LEU . . . 90.59 -160.5 27.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 74.349999999999994 112.522 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 55' ' ' LEU . 26.0 mm -78.61 -23.33 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 74.010000000000005 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -33.19 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.896 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 HD21 ' A' ' 55' ' ' LEU . 12.1 tp -66.73 -35.09 79.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 62.340000000000003 110.936 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -64.23 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.96 -36.2 83.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.943 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -51.74 -64.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 70.409999999999997 110.896 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -73.91 -25.59 60.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 61.109999999999999 111.188 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.75 30.21 10.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 73.219999999999999 112.489 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.24 114.72 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.329999999999998 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 m -69.35 -26.09 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.439999999999998 110.885 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -69.22 -16.93 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 60.340000000000003 111.107 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.15 111.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 54.439999999999998 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.25 158.92 36.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.219999999999999 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.532 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.5 mt -118.57 132.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.420000000000002 111.162 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -127.48 153.59 77.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 74.239999999999995 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.8 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 72.319999999999993 112.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.7 tpt -72.67 116.08 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.230000000000004 110.932 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -89.81 131.37 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.420000000000002 111.122 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.2 p -70.74 133.21 86.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 50.149999999999999 111.154 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.72 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 73.010000000000005 112.353 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -98.07 69.83 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.540000000000006 111.154 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 p -96.92 70.77 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.140000000000001 111.141 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 63.229999999999997 110.832 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 mtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.771 0.319 . . . . 73.010000000000005 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.21 62.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 53.109999999999999 111.092 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.71 155.78 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 73.329999999999998 111.134 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -133.02 121.94 23.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.219999999999999 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.699 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -128.19 136.95 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.941 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -142.66 131.33 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.530000000000001 111.152 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -102.77 37.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 72.310000000000002 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.9 165.0 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 74.140000000000001 111.09 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.89 155.14 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 63.130000000000003 110.846 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 43.1 p90 -149.06 160.6 43.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.140000000000001 110.859 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 42' ' ' VAL . 17.4 mt -102.34 140.77 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 51.32 110.92 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 73' ' ' ILE . 3.4 tp -118.8 136.07 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 62.299999999999997 110.886 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 42' ' ' VAL . 84.5 t -126.62 124.73 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.140000000000001 111.178 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.33 -123.01 1.73 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 33.039999999999999 112.519 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -122.77 23.27 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 73.25 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.8 52.87 5.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 74.109999999999999 110.879 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 p -76.59 140.16 40.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 111.151 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -67.64 -17.21 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.209999999999994 110.861 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.1 mtm-85 -92.33 14.38 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 64.209999999999994 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -59.62 -35.98 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.409999999999997 110.877 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.12 -43.21 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.040000000000006 110.864 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 26' ' ' THR . 8.4 tp10 -66.28 -45.14 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 72.299999999999997 110.87 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 19' ' ' ARG . 89.1 t -57.31 -44.34 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 45' ' ' VAL . 11.2 mmt -73.78 -37.3 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.349999999999994 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -29.55 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.91 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 22' ' ' GLU . 22.8 p -55.47 -23.22 24.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.702 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 m-85 -96.89 119.17 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 74.530000000000001 110.893 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.46 -15.17 60.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 71.129999999999995 110.822 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.671 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.1 m -73.39 -26.21 60.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 65.030000000000001 111.142 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 45' ' ' VAL . 4.6 p -70.27 142.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 51.409999999999997 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -120.33 -39.42 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 55.229999999999997 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.23 153.44 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.129999999999995 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.13 148.21 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.129999999999995 111.117 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -143.73 135.49 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.409999999999997 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 159.46 30.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.872 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.93 115.15 28.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.230000000000004 110.849 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.79 -33.54 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.65 -52.48 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 65.409999999999997 110.899 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -131.77 112.47 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.51 -20.87 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -76.64 -5.06 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 73.510000000000005 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 13' ' ' VAL . 21.3 t -112.23 136.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.340000000000003 111.146 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.03 130.71 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 53.340000000000003 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.02 118.77 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.129999999999995 110.89 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 30' ' ' VAL . 93.8 t -98.23 112.34 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 71.549999999999997 111.171 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.85 110.9 22.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 64.099999999999994 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 29' ' ' THR . 30.4 mt -72.23 163.33 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.140000000000001 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -72.35 179.32 3.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -93.6 114.96 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.010000000000005 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.35 12.27 54.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 73.420000000000002 112.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.3 m -112.72 166.52 11.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.958 0.409 . . . . 73.519999999999996 110.853 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.41 ' C ' HG21 ' A' ' 29' ' ' THR . 96.5 m -139.7 123.65 17.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 64.340000000000003 111.098 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.671 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -84.71 96.33 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.329999999999998 110.906 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.699 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.2 t -106.0 143.65 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 71.519999999999996 111.091 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 3' ' ' THR . 4.5 mp -121.46 104.3 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 60.240000000000002 110.916 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.239999999999995 110.946 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.13 -9.13 20.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 44.439999999999998 112.491 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.96 -149.77 28.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 54.140000000000001 112.47 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' HD12 ' A' ' 73' ' ' ILE . 29.1 mm -78.69 -23.39 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 75.349999999999994 111.154 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -45.7 93.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.329999999999998 110.868 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -33.02 68.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.299999999999997 110.912 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.774 HD23 HD21 ' A' ' 71' ' ' LEU . 8.5 tp -66.82 -35.39 79.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 71.420000000000002 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.39 -40.48 95.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.93 -34.42 78.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.049999999999997 110.957 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.239999999999995 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 71' ' ' LEU . 14.6 t -68.06 -25.36 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 70.430000000000007 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.56 28.77 15.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 61.130000000000003 112.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -135.49 114.1 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 75.349999999999994 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -65.72 -25.7 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 61.530000000000001 110.886 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -67.28 -16.92 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.329999999999998 111.131 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD21 HD23 ' A' ' 62' ' ' LEU . 10.3 tt -55.27 116.07 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.040000000000006 110.934 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.19 150.05 51.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 73.329999999999998 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 62' ' ' LEU . 69.4 mt -110.65 132.92 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.219999999999999 111.156 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -130.07 153.53 81.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 70.120000000000005 110.89 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 114.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 62.439999999999998 112.352 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.72 131.24 45.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 43.219999999999999 110.934 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.23 124.06 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 111.128 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.43 HG13 ' HD2' ' A' ' 79' ' ' PRO . 60.5 t -87.35 133.08 39.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 71.150000000000006 111.15 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.43 ' HD2' HG13 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.72 74.48 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 74.450000000000003 112.353 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m 47.65 83.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 53.43 111.155 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 m -161.32 60.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.319999999999993 111.165 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.140000000000001 110.843 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.784 0.326 . . . . 45.329999999999998 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.17 64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.230000000000004 111.062 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -173.84 146.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 55' ' ' LEU . 41.7 t80 -146.47 118.98 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.87 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.654 ' HG3' HG22 ' A' ' 54' ' ' VAL . 4.9 tm0? -123.02 138.26 54.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 64.299999999999997 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.471 HG21 ' CD2' ' A' ' 10' ' ' PHE . 10.1 t -146.38 127.8 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.140000000000001 111.163 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.95 39.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 63.549999999999997 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -175.11 169.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.399999999999999 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -51.78 164.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 53.439999999999998 110.838 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 6' ' ' THR . 18.5 p90 -156.23 161.08 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 110.858 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -102.52 154.34 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.140000000000001 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -132.36 146.54 52.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.310000000000002 110.925 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.93 124.82 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 72.209999999999994 111.133 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.79 -131.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 65.439999999999998 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -123.6 25.9 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 63.549999999999997 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 54.15 75.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 72.109999999999999 110.857 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -106.77 140.96 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.109999999999999 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -24.89 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.882 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 32.5 mtt-85 -76.85 -10.49 59.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.420000000000002 110.869 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.652 ' HE1' HD22 ' A' ' 12' ' ' LEU . 19.7 t80 -56.37 -44.78 80.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.019999999999996 110.938 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.54 -44.52 90.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 74.129999999999995 110.896 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 26' ' ' THR . 7.5 tt0 -63.43 -47.45 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 75.439999999999998 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 19' ' ' ARG . 90.0 t -57.46 -42.88 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 52.140000000000001 111.113 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.37 -35.77 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 64.109999999999999 110.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -33.69 72.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 22' ' ' GLU . 19.8 p -56.45 -23.71 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 75.329999999999998 111.142 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.36 113.4 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 71.349999999999994 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -53.63 -28.07 30.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 51' ' ' SER . 0.2 OUTLIER -66.33 -30.79 71.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.329999999999998 111.158 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 45' ' ' VAL . 84.9 t -72.9 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 71.010000000000005 111.156 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -97.29 -43.19 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 70.140000000000001 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.5 169.62 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.319999999999993 111.132 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.38 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.030000000000001 111.126 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -143.26 135.41 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 61.509999999999998 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 142.17 30.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.439999999999998 110.854 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -81.12 113.01 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 72.519999999999996 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.01 -29.88 68.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.130000000000003 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.82 -45.55 67.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 110.916 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.77 122.37 28.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 53.439999999999998 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.31 -22.35 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.825 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -95.54 32.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 75.430000000000007 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -141.57 132.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.27 139.51 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.150000000000006 110.939 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptp -109.25 118.93 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 30' ' ' VAL . 97.1 t -93.74 127.07 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 74.049999999999997 111.104 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.42 109.42 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 55.200000000000003 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 10' ' ' PHE . 84.7 mt -75.54 157.76 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 70.409999999999997 110.912 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -72.3 134.58 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.019999999999996 110.918 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.82 111.38 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 74.230000000000004 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.91 2.95 30.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 50.439999999999998 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 29' ' ' THR . 48.6 m -111.53 169.27 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 72.209999999999994 110.869 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 ' C ' HG21 ' A' ' 29' ' ' THR . 92.5 m -141.1 115.03 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 65.420000000000002 111.161 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -79.44 97.49 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.858 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.5 t -105.97 143.68 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.239999999999995 111.166 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' A' ' 4' ' ' PHE . 54.4 mt -119.31 104.36 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 63.420000000000002 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -60.45 -41.83 94.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.439999999999998 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.17 -25.65 23.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 62.130000000000003 112.461 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.0 -153.04 18.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 74.450000000000003 112.509 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.9 mm -78.24 -23.49 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 63.340000000000003 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.45 -45.36 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.109999999999999 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.95 -33.65 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.400000000000006 110.873 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.662 ' CD2' HD11 ' A' ' 73' ' ' ILE . 9.6 tp -69.62 -37.49 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.67 -40.12 92.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -35.04 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.240000000000002 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.75 -68.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.310000000000002 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.1 t -70.71 -24.05 62.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.109999999999999 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 43.25 5.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 44.32 112.485 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.85 114.08 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 71.209999999999994 110.803 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -69.01 -25.31 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 43.240000000000002 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -65.11 -23.78 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.140000000000001 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD21 HD23 ' A' ' 62' ' ' LEU . 10.0 tt -52.08 110.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -123.05 161.22 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 62' ' ' LEU . 61.6 mt -126.89 133.15 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 74.230000000000004 111.123 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.68 153.66 79.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 71.439999999999998 110.968 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 75.329999999999998 112.35 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.56 121.08 15.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.439999999999998 110.844 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.75 135.64 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 64.120000000000005 111.146 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.6 t -77.03 133.28 69.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 72.519999999999996 111.117 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.7 Cg_endo -69.67 174.28 9.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.712 2.275 . . . . 62.439999999999998 112.339 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' PRO . 10.1 t 37.33 43.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 73.340000000000003 111.158 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.9 m -51.9 -47.91 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.530000000000001 111.162 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 110.91 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.759 0.314 . . . . 75.439999999999998 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.49 37.34 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.420000000000002 111.124 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -52.92 157.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 44.310000000000002 111.155 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 55' ' ' LEU . 45.8 t80 -146.92 118.92 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 65.439999999999998 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.657 ' CG ' HG22 ' A' ' 54' ' ' VAL . 5.4 tm0? -122.72 135.96 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.420000000000002 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -137.27 122.31 19.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 52' ' ' THR . 24.4 t0 -92.84 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.019999999999996 110.814 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -177.08 166.13 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.329999999999998 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -52.06 158.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.209999999999994 110.866 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.618 ' HE1' HD21 ' A' ' 47' ' ' LEU . 21.0 p90 -147.64 172.57 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 110.897 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 44' ' ' MET . 13.8 mt -106.79 157.48 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.946 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -124.42 132.7 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 52.219999999999999 110.92 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.55 125.2 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.71 -138.26 2.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 75.430000000000007 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -97.87 25.93 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.129999999999995 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.59 42.8 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 64.319999999999993 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.24 149.86 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 54.439999999999998 111.129 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 m -67.31 -15.92 63.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 70.340000000000003 110.863 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.5 mtt180 -77.7 -22.08 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 72.319999999999993 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 12' ' ' LEU . 2.5 m-85 -59.95 -44.93 94.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.310000000000002 110.922 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.09 -38.06 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.540000000000006 110.906 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 tm-20 -66.89 -47.62 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.129999999999995 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 19' ' ' ARG . 84.3 t -61.56 -39.19 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.13 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.706 ' CE ' HD21 ' A' ' 62' ' ' LEU . 11.1 mmt -73.14 -33.75 65.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.509999999999998 110.912 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.0 p -57.84 -22.33 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 71.109999999999999 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.2 117.44 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.329999999999998 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -53.65 -30.38 42.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.599 ' OG1' HD22 ' A' ' 47' ' ' LEU . 3.4 t -66.27 -29.79 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.129999999999995 111.177 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 45' ' ' VAL . 84.7 t -79.1 132.61 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 111.121 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -103.23 -45.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.209999999999994 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.91 150.33 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 74.409999999999997 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.43 142.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.450000000000003 111.085 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -137.96 135.41 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.340000000000003 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 158.13 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.209999999999994 110.929 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.37 112.89 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -53.57 -31.55 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 70.140000000000001 110.859 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.05 -46.9 61.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 70.140000000000001 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -131.36 124.78 31.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 60.109999999999999 110.88 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.58 -20.64 64.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.040000000000006 110.81 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -94.99 29.0 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 11' ' ' LEU . 59.6 t -141.73 132.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.010000000000005 111.14 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.9 128.42 42.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.219999999999999 110.879 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.706 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -91.47 118.68 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.510000000000005 110.861 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 30' ' ' VAL . 84.6 t -100.0 113.73 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.400000000000006 111.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 m -93.25 112.87 24.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.618 HD21 ' HE1' ' A' ' 10' ' ' PHE . 53.4 mt -77.62 173.35 12.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.349999999999994 110.942 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -88.89 179.3 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.519999999999996 110.912 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -91.96 114.13 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 74.239999999999995 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.12 -18.9 38.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 43.32 112.508 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 m -91.26 164.08 14.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.957 0.408 . . . . 42.420000000000002 110.882 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 7' ' ' ASP . 26.8 m -145.17 132.65 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 111.114 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -88.06 96.75 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 63.350000000000001 110.848 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG22 ' CG ' ' A' ' 5' ' ' GLN . 86.5 t -106.0 142.99 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 111.13 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 3' ' ' THR . 44.1 mt -114.27 104.38 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.040000000000006 110.904 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -63.8 -26.39 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 53.140000000000001 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.73 22.99 9.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 25.25 112.524 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . . . 68.79 -155.51 53.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.755 . . . . 43.020000000000003 112.514 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 55' ' ' LEU . 36.2 mm -78.76 -23.18 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 51.340000000000003 111.152 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.28 -45.46 94.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 64.310000000000002 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -32.9 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.319999999999993 110.896 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 71' ' ' LEU . 13.0 tp -71.01 -42.92 68.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 74.030000000000001 110.961 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.26 -40.2 95.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.219999999999999 110.932 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.47 -35.18 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 70.230000000000004 110.908 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.69 -71.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.340000000000003 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.602 ' CB ' HG21 ' A' ' 23' ' ' VAL . 14.7 t -61.94 -26.73 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.030000000000001 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.77 21.06 32.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 53.140000000000001 112.463 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.504 ' H ' HG23 ' A' ' 66' ' ' THR . 3.5 t0 -126.1 121.27 32.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 52.439999999999998 110.893 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -80.28 -2.23 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.310000000000002 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.1 p -88.07 -22.9 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 70.010000000000005 111.107 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 62' ' ' LEU . 3.4 tt -52.69 121.42 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 70.409999999999997 110.931 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.07 151.87 50.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.299999999999997 110.902 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.9 mt -110.71 132.17 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -129.63 153.6 80.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 73.329999999999998 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 73.140000000000001 112.393 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -65.82 128.08 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.030000000000001 110.865 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm -116.02 136.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 75.430000000000007 111.134 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.3 t -88.63 133.35 36.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 65.439999999999998 111.069 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 107.76 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 71.540000000000006 112.337 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -60.23 163.23 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.120000000000005 111.17 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -116.14 77.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 70.310000000000002 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 110.847 -179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.818 0.342 . . . . 74.32 111.171 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.3 t80 -146.36 118.93 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.721 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -124.43 141.85 51.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.91 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -151.05 131.77 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.143 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -102.54 40.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.88 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 167.15 8.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.052 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -52.29 157.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.829 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' HE2' HD21 ' A' ' 47' ' ' LEU . 27.5 p90 -150.21 165.05 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.847 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.629 HD22 ' CG1' ' A' ' 42' ' ' VAL . 14.1 mt -102.48 144.1 31.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 70.24 110.918 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.542 HD12 HG12 ' A' ' 73' ' ' ILE . 3.8 tp -123.74 137.69 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.897 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.81 124.77 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 70.45 111.115 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.01 -121.15 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 75.31 112.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -130.36 29.29 4.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 61.04 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.47 67.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.68 140.28 42.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.126 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -67.02 -16.71 64.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 43.22 110.85 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -76.48 -3.33 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.876 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.93 -34.4 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.911 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.94 -45.32 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' THR . 23.0 tp10 -66.66 -43.08 85.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.872 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.72 HG21 ' HB ' ' A' ' 66' ' ' THR . 99.2 t -57.27 -45.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.23 111.123 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 45' ' ' VAL . 8.4 mmt -73.62 -38.02 65.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 70.43 110.855 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -29.05 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 22' ' ' GLU . 24.0 p -55.56 -23.95 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.24 111.163 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -102.95 113.07 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.54 -27.88 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.91 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.663 HG22 HD22 ' A' ' 47' ' ' LEU . 30.3 m -59.3 -28.08 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.23 111.174 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 45' ' ' VAL . 91.9 t -71.45 130.75 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.144 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -105.77 -42.95 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.837 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.86 167.03 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.51 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.76 150.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.52 111.097 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -143.31 135.22 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 148.91 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.55 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 118.27 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 65.21 110.834 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.93 -37.88 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.84 -44.44 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.904 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' HB3' HG23 ' A' ' 42' ' ' VAL . 93.8 m-20 -127.63 114.58 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.867 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 -20.83 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.827 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -91.39 14.45 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.835 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.629 ' CG1' HD22 ' A' ' 11' ' ' LEU . 48.0 t -126.75 132.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.44 111.145 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -132.71 138.55 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 70.01 110.898 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ptp -105.47 118.89 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 74.51 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 24' ' ' MET . 90.5 t -97.69 125.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 52.24 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.71 112.21 24.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 29' ' ' THR . 57.3 mt -76.07 162.07 28.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.91 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.13 132.64 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 61.01 110.891 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -54.23 107.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 63.42 110.888 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.68 -19.26 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 65.03 112.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG23 ' A' ' 29' ' ' THR . 39.7 m -90.64 166.4 13.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 62.21 110.844 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 54' ' ' VAL . 88.0 m -140.41 113.84 8.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 72.13 111.161 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.635 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -77.22 95.05 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.852 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.721 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.0 t -105.96 142.9 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.128 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' A' ' 4' ' ' PHE . 59.7 mt -116.84 104.29 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.09 -25.27 63.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.32 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.25 27.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 73.52 112.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.8 -158.85 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 70.1 112.498 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.543 ' CD1' HD12 ' A' ' 73' ' ' ILE . 35.9 mm -78.85 -23.06 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 65.32 111.151 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.07 -45.63 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.913 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.82 -32.88 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.14 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.939 HD23 HD21 ' A' ' 71' ' ' LEU . 11.8 tp -71.04 -36.38 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.88 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.0 -33.94 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 71.4 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.913 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.88 -65.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.925 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.72 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.3 t -69.5 -24.97 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.138 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.02 31.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.756 . . . . 72.34 112.473 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.45 127.41 31.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 74.52 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.7 m -75.96 -21.48 56.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.52 110.877 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -65.03 -23.36 67.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 63.23 111.17 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD23 ' A' ' 62' ' ' LEU . 7.3 tt -51.86 115.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.919 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -130.2 162.24 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 64.31 110.929 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 62' ' ' LEU . 53.5 mt -126.81 133.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.43 111.131 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.26 153.62 81.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.34 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 71.32 112.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.03 121.82 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 65.3 111.105 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.816 0.341 . . . . 72.12 111.162 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.652 ' HB3' HD12 ' A' ' 55' ' ' LEU . 34.7 t80 -146.96 118.96 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.72 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -124.03 137.56 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.42 110.885 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 10' ' ' PHE . 5.2 t -147.23 122.51 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 42.11 111.145 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -93.03 43.71 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.09 168.02 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 52.23 111.085 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -51.63 158.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.45 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.464 ' CD2' HG21 ' A' ' 6' ' ' THR . 27.3 p90 -153.41 164.46 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.48 156.87 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 43.45 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.508 HD11 ' HG ' ' A' ' 71' ' ' LEU . 9.5 tp -133.58 131.44 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.92 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.67 125.09 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 42.34 111.134 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.94 -138.53 2.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 52.12 112.452 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -98.82 17.64 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 73.32 110.878 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.6 t0 51.36 57.61 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.11 110.848 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.77 140.49 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 72.41 111.17 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -67.24 -16.96 64.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 62.34 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.1 ttp180 -84.99 4.29 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.853 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -57.29 -34.87 69.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.35 110.884 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.75 -45.98 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -66.47 -47.63 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.915 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 ' HB ' ' A' ' 66' ' ' THR . 92.6 t -57.34 -43.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.43 111.171 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.619 ' CE ' HG11 ' A' ' 45' ' ' VAL . 82.4 mmm -73.44 -38.12 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 62.44 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -27.69 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 61.13 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 p -55.29 -23.88 25.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 60.35 111.144 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.67 113.18 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 62.22 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.6 -27.48 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 51' ' ' SER . 41.2 p -58.66 -29.16 66.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.119 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.29 109.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.132 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.97 -38.76 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.32 165.15 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.128 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.18 151.26 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.44 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -145.41 135.35 23.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 71.13 110.881 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 168.4 15.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.881 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -108.52 111.5 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 64.23 110.805 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.6 -32.12 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.55 -38.7 62.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 60.14 110.942 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG23 ' A' ' 42' ' ' VAL . 54.5 m-20 -131.77 115.39 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.924 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.36 -21.14 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -95.51 25.7 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' A' ' 39' ' ' ASP . 55.7 t -136.65 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -135.96 145.48 46.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 53.44 110.943 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 118.84 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.11 110.915 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG11 ' CE ' ' A' ' 24' ' ' MET . 31.9 t -95.45 128.08 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 70.23 111.136 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 100.0 m -97.93 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.9 mt -78.06 142.97 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.931 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -53.44 158.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.921 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.45 103.5 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.55 110.956 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.66 -34.43 5.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 63.44 112.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.611 ' HB3' HG22 ' A' ' 29' ' ' THR . 38.8 m -64.42 164.6 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 72.23 110.864 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.437 ' O ' HG21 ' A' ' 29' ' ' THR . 89.8 m -140.35 118.35 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 42.13 111.161 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.7 98.49 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.1 t -105.97 143.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.125 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 4' ' ' PHE . 48.9 mt -118.4 104.33 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 53.34 110.895 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.62 -36.99 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.896 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.15 -19.8 32.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 52.41 112.468 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.72 -154.81 21.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 72.3 112.51 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.522 ' CD1' HD12 ' A' ' 73' ' ' ILE . 25.8 mm -78.3 -23.14 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 74.02 111.137 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -61.1 -45.38 94.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.85 -33.59 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.794 HD23 HD21 ' A' ' 71' ' ' LEU . 8.4 tp -71.18 -35.84 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -63.46 -46.17 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.09 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.779 ' HB ' HG21 ' A' ' 23' ' ' VAL . 3.8 t -67.82 -26.13 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 53.21 111.112 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.33 -13.28 54.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 72.34 112.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.7 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -79.78 102.69 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.341 . . . . 75.42 110.863 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 t -68.31 -19.73 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.904 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.9 p -94.86 24.64 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 74.3 111.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 HD23 ' A' ' 62' ' ' LEU . 5.4 tt -79.9 118.29 21.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.89 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -120.58 154.26 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.11 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.702 HD11 ' CD2' ' A' ' 62' ' ' LEU . 57.7 mt -127.34 128.03 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.26 158.52 68.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 71.52 110.877 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.45 9.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 73.3 112.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.8 124.19 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.899 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.32 111.15 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.797 0.332 . . . . 60.31 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -136.64 118.57 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 54.23 110.854 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -119.39 132.93 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.898 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.417 HG21 ' CD2' ' A' ' 10' ' ' PHE . 6.3 t -140.84 123.28 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 60.32 111.111 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -95.15 44.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.888 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.28 169.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.1 111.069 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -51.62 156.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.35 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 47' ' ' LEU . 16.4 p90 -148.55 158.41 44.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -102.65 144.74 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 138.63 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 43.14 110.932 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.1 t -124.61 124.79 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.54 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.82 -141.59 3.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 64.04 112.484 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -99.27 22.56 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 72.21 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 51.7 55.78 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -82.42 140.83 33.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 71.15 111.128 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.33 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 tpt180 -78.08 -2.17 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -55.8 -34.11 65.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.32 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.22 -46.09 65.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 53.34 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -66.87 -43.1 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.15 110.879 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 19' ' ' ARG . 94.9 t -57.64 -45.09 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 53.43 111.105 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 45' ' ' VAL . 14.0 mmt -73.57 -35.1 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.885 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -23.14 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 71.13 110.88 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.3 p -52.0 -28.98 18.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 52.03 111.089 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.93 120.69 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.23 -26.61 40.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 51' ' ' SER . 26.5 m -53.86 -29.75 42.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 50.22 111.133 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.464 HG13 HG13 ' A' ' 45' ' ' VAL . 86.0 t -70.53 104.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 52.24 111.124 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -77.62 -42.62 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 168.0 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 71.11 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.07 150.55 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.12 111.093 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -142.83 135.45 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.888 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 163.17 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.24 119.3 38.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.857 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.72 -28.9 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.907 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -36.91 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.88 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -131.84 118.4 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.868 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.57 -23.0 64.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -95.67 30.8 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.19 134.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.192 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -139.54 141.2 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.903 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.5 ptp -113.2 118.74 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 65.24 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 24' ' ' MET . 85.5 t -95.24 127.37 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -98.85 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 62.2 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 HG22 ' A' ' 29' ' ' THR . 66.0 mt -81.8 146.41 29.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.885 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -64.37 133.17 52.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.848 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -51.99 117.71 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 54.54 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.82 -19.95 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 50.11 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.631 ' CB ' HG23 ' A' ' 29' ' ' THR . 33.6 m -91.89 161.89 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 64.14 110.83 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -142.28 122.09 13.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 63.22 111.14 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.05 104.79 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 60.44 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.449 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.3 t -106.19 138.98 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.125 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 55' ' ' LEU . 1.3 mm? -110.84 104.93 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.957 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -66.08 -29.97 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.7 -14.83 14.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 74.21 112.489 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.86 -160.3 21.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 63.33 112.488 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.51 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.8 mm -78.48 -21.94 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 75.15 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.51 -45.66 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.881 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -32.8 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.867 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 HD23 HD21 ' A' ' 71' ' ' LEU . 14.8 tp -71.16 -35.8 71.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.892 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -64.45 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -40.22 93.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.5 -69.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 65.41 110.871 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 68' ' ' ASP . 2.8 t -63.25 -28.19 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 73.21 111.11 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 1.29 63.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 61.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.707 ' H ' HG23 ' A' ' 66' ' ' THR . 1.4 t70 -107.07 112.66 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 72.04 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -68.72 -24.75 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.901 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -15.49 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 72.45 111.183 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 66' ' ' THR . 8.8 tt -59.56 113.25 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HA ' HG21 ' A' ' 59' ' ' ILE . 3.8 mt-10 -133.96 148.29 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 73.51 110.914 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.1 mt -106.36 133.11 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 71.45 111.097 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.72 153.51 79.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 64.24 110.945 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 35.14 112.387 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 ttt -54.1 127.23 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.865 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.12 111.134 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.807 0.337 . . . . 65.23 111.167 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD12 ' A' ' 55' ' ' LEU . 16.0 t80 -146.89 118.95 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.21 110.884 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.605 ' HG3' HG22 ' A' ' 54' ' ' VAL . 1.1 tm0? -124.46 137.96 54.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 62.13 110.922 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 10' ' ' PHE . 11.1 t -150.88 131.63 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.22 111.139 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.86 32.09 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.823 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.21 166.23 30.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.34 111.113 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.05 156.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.851 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.637 ' CE2' HD21 ' A' ' 47' ' ' LEU . 20.7 p90 -150.78 159.8 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.844 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -102.33 154.01 19.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.94 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.37 145.68 51.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.71 124.94 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.55 111.174 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.93 -135.99 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 45.04 112.495 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.13 22.91 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 45.34 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 58.27 56.47 4.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.853 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.47 140.87 43.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.17 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -66.54 -17.15 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.21 110.868 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 23' ' ' VAL . 93.9 mtt180 -92.03 14.45 15.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -57.72 -40.63 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 71.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.13 -40.76 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 17.1 tt0 -64.96 -47.65 76.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.923 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 19' ' ' ARG . 96.9 t -57.92 -42.46 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 61.5 111.153 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt -73.7 -37.92 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.891 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.52 -28.65 60.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' GLU . 21.9 p -55.5 -23.76 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 73.34 111.14 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.77 114.34 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.58 -27.46 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.864 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.735 HG21 ' N ' ' A' ' 53' ' ' PHE . 1.3 m -59.09 -31.41 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.174 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 45' ' ' VAL . 99.4 t -70.38 134.1 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -112.9 -41.37 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.903 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.96 164.74 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 51.21 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.91 150.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 55.05 111.122 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -145.52 135.33 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.13 110.898 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.915 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -90.18 119.08 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.42 110.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.37 -36.23 83.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 71.43 110.853 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.21 -38.96 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' CG ' HG23 ' A' ' 42' ' ' VAL . 43.1 t0 -130.84 116.38 17.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.885 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.57 -20.85 64.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 62.22 110.866 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -94.99 30.15 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' CG ' ' A' ' 39' ' ' ASP . 58.0 t -141.62 143.6 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.098 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -141.62 136.88 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.02 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 ptp -102.86 122.14 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 52.41 110.87 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 24' ' ' MET . 96.8 t -99.1 124.47 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 64.52 111.128 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.06 111.64 23.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.843 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' A' ' 10' ' ' PHE . 62.1 mt -77.36 155.58 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -71.62 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.84 109.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.934 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.72 1.82 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 75.33 112.512 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.8 m -111.07 166.88 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 44.51 110.824 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.7 m -140.64 112.3 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 43.35 111.128 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.735 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -75.45 97.96 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 5' ' ' GLN . 94.9 t -106.05 143.27 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 4' ' ' PHE . 47.3 mt -118.89 104.28 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 63.13 110.896 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -65.92 -31.39 72.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.899 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.62 -12.45 37.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 64.33 112.507 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.92 -157.02 25.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 63.12 112.445 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.597 ' CD1' HD12 ' A' ' 73' ' ' ILE . 37.3 mm -78.89 -23.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 54.04 111.097 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.17 -45.58 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -65.95 -32.85 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.912 HD23 HD21 ' A' ' 71' ' ' LEU . 10.6 tp -67.46 -41.23 84.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.928 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -59.07 -40.39 85.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.857 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.02 -34.92 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.64 -74.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.471 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.9 t -62.73 -24.18 67.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.132 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.37 31.39 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 42.14 112.498 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.73 118.94 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.25 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -77.57 -20.83 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.911 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.9 p -85.99 5.69 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 71.23 111.164 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.912 HD21 HD23 ' A' ' 62' ' ' LEU . 6.6 tt -72.41 113.26 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.32 160.07 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 72.24 110.892 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.2 mt -126.09 133.17 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -130.62 153.56 81.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 71.02 110.912 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.281 . . . . 71.14 112.354 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.3 tpt -64.35 145.5 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 72.31 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.141 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.352 . . . . 63.44 111.152 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -145.74 122.94 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.845 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.619 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -131.6 135.02 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 75.42 110.885 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -139.16 126.38 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.157 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.07 37.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 75.54 110.902 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.89 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 65.44 111.083 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.68 160.19 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.897 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' HD21 ' A' ' 47' ' ' LEU . 17.6 p90 -151.64 156.99 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.52 148.66 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -121.34 137.26 54.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.946 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.08 125.77 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.31 111.076 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 -140.1 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.2 112.484 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.24 16.12 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 74.42 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.7 t0 51.99 73.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.31 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -110.58 150.17 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 61.21 111.173 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.1 t -67.05 -15.87 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 60.23 110.898 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.0 mtt180 -75.9 -21.72 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.874 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 71' ' ' LEU . 2.4 m-85 -59.72 -36.99 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.52 110.931 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -70.01 -48.03 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 75.24 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.84 -47.6 80.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 64.3 110.884 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' ARG . 87.3 t -61.76 -36.63 74.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.53 111.136 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.487 ' CE ' HD11 ' A' ' 62' ' ' LEU . 30.1 mmt -75.13 -37.29 61.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.909 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -72.2 -13.07 61.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.867 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.3 t -52.83 -26.46 14.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.51 111.168 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.88 129.86 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.25 -27.1 32.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.8 m -51.66 -35.52 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 52.43 111.146 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 45' ' ' VAL . 91.8 t -80.58 117.66 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 43.43 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -84.53 -46.65 11.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 60.12 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.15 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 71.15 111.09 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 ' HE3' ' A' ' 25' ' ' LYS . 67.6 t -131.91 144.73 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.05 111.114 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -140.1 135.24 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 170.05 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.916 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.69 116.58 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 50.13 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.05 -26.08 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.3 mm? -72.41 -50.38 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 63.41 110.908 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 42' ' ' VAL . 3.4 m-20 -129.9 128.57 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.9 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.1 -22.43 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -95.81 29.43 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.835 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 39' ' ' ASP . 97.6 t -133.8 132.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 61.52 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -137.29 130.48 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.22 118.94 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.899 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 30' ' ' VAL . 59.9 t -95.76 113.13 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.148 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 m -90.95 111.29 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.685 HD21 ' CE2' ' A' ' 10' ' ' PHE . 46.0 mt -81.53 154.98 25.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.923 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.61 136.28 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.895 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -59.2 109.59 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 64.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.3 4.17 29.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 54.24 112.445 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 29' ' ' THR . 40.6 m -111.84 165.8 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 73.1 110.876 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.418 ' C ' HG21 ' A' ' 29' ' ' THR . 95.8 m -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 53.44 111.166 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 29' ' ' THR . 4.2 t80 -79.27 101.54 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.898 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.619 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.7 t -106.0 143.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 64.14 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.593 HD21 HD12 ' A' ' 62' ' ' LEU . 5.5 mp -118.48 104.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 33.3 110.908 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -55.99 -28.49 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 64.41 110.888 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.54 -5.83 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 52.12 112.535 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 -154.69 35.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 32.5 112.492 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CD1' HD12 ' A' ' 73' ' ' ILE . 27.6 mm -78.7 -23.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 62.42 111.123 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -61.44 -45.75 92.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -33.15 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.873 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -68.57 -41.89 79.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.12 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -59.05 -41.23 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.24 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.78 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 50.44 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.773 HG21 HD13 ' A' ' 71' ' ' LEU . 2.7 t -55.6 -27.2 48.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.149 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.38 30.28 9.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.493 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -138.35 123.76 19.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 64.55 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.7 m -80.33 -24.47 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.05 -18.12 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 71.33 111.143 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 66' ' ' THR . 8.3 tt -55.43 115.81 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.01 154.54 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 72.05 110.879 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 59' ' ' ILE . 57.7 mt -119.64 131.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 71.45 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.55 154.81 54.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 73.22 110.888 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 71.34 112.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -63.49 138.9 58.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 62.33 111.082 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 64.43 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -143.44 119.42 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.629 ' CG ' HG22 ' A' ' 54' ' ' VAL . 0.8 OUTLIER -126.92 134.63 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.89 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.402 HG21 ' CD2' ' A' ' 10' ' ' PHE . 9.9 t -141.32 127.86 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.04 111.149 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -97.73 36.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.89 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.57 168.95 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.34 111.087 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.96 158.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 6' ' ' THR . 21.0 p90 -151.64 161.4 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.862 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.97 154.82 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 71' ' ' LEU . 6.0 tp -130.56 129.16 42.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.905 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -117.93 124.84 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 63.34 111.145 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.54 -132.16 1.33 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.34 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -106.02 20.46 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 65.14 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 51.67 63.73 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.842 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 140.86 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.153 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 t -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.825 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -85.64 6.96 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.842 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.92 -39.06 71.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.91 -40.93 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' THR . 29.7 tt0 -65.27 -47.46 76.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.88 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ARG . 58.0 t -58.2 -42.88 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 54.52 111.111 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mmt -73.18 -37.93 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -54.36 -28.5 43.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.5 p -58.41 -21.49 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.35 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.73 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.22 110.875 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.91 -27.8 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.15 110.847 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.643 HG22 ' HB3' ' A' ' 51' ' ' SER . 8.6 p -59.31 -29.71 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 61.45 111.13 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.18 123.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 62.43 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.63 -41.23 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.41 164.43 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 70.21 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.99 150.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 62.45 111.109 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -142.96 135.22 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 159.01 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -98.54 107.79 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.846 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.74 -27.96 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 mt -78.74 -37.75 40.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.943 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -131.78 116.03 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.844 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.93 -22.71 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.31 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -95.74 30.34 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.884 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.8 t -140.71 131.93 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.71 137.36 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.907 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.51 118.93 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.04 110.824 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.69 123.83 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 65.1 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -97.08 117.32 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 63.54 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.94 152.43 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -61.01 179.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 52.32 110.915 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 118.32 30.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 54.41 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.93 15.45 59.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.11 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.643 ' HB3' HG22 ' A' ' 29' ' ' THR . 39.7 m -112.42 165.3 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 75.33 110.875 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 29' ' ' THR . 89.9 m -141.48 117.82 10.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 63.55 111.132 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.15 97.45 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.836 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.629 HG22 ' CG ' ' A' ' 5' ' ' GLN . 94.3 t -105.98 142.9 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 72.1 111.132 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -115.74 104.4 11.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.931 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.06 -26.06 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.855 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.52 -1.15 34.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 71.24 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . . . 79.73 -159.2 43.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 51.41 112.475 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.571 ' CD1' HD12 ' A' ' 73' ' ' ILE . 48.5 mm -78.59 -23.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 72.15 111.152 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.09 -43.69 91.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.33 110.839 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.81 -32.87 74.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.861 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.913 HD23 HD21 ' A' ' 71' ' ' LEU . 5.2 tp -71.29 -34.68 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.925 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -57.88 -50.39 73.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.27 -34.17 77.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.42 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 62' ' ' LEU . 2.8 mt -51.68 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.941 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 t -60.23 -26.71 66.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.42 111.142 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.51 34.0 5.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 71.23 112.495 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.5 137.53 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 75.33 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -91.66 14.37 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.23 110.89 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -110.48 -16.95 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 61.13 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HD23 ' A' ' 62' ' ' LEU . 9.3 tt -58.5 116.25 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.909 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -131.8 148.91 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.04 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 62' ' ' LEU . 70.9 mt -107.15 133.05 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.23 111.08 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.21 153.58 71.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 63.11 110.91 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.97 9.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 70.42 112.379 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -72.1 136.88 46.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 52.31 111.101 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 71.23 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -143.63 118.85 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.32 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -118.51 131.69 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 6' ' ' THR . 5.0 t -135.98 120.19 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.41 111.166 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.48 ' HA ' HG23 ' A' ' 52' ' ' THR . 5.2 t0 -93.16 43.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 63.4 110.875 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.31 167.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.077 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.82 155.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.616 ' HE2' HD21 ' A' ' 47' ' ' LEU . 41.1 p90 -146.69 164.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.885 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD22 HG12 ' A' ' 42' ' ' VAL . 13.7 mt -102.48 142.98 32.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 62.4 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -120.31 130.74 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.931 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.52 124.85 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 64.22 111.131 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.91 -131.91 1.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 64.44 112.478 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.54 26.07 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 64.03 110.858 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 53.1 66.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 140.6 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.42 111.089 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -17.12 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.829 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.7 mtt180 -100.2 14.75 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -55.77 -34.26 65.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.924 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -50.57 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.11 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.37 -42.72 99.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.923 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 19' ' ' ARG . 95.4 t -57.51 -45.31 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.12 111.129 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.5 mmt -74.87 -35.54 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.912 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.49 -24.58 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.871 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 1.8 t -52.1 -26.65 11.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.25 121.59 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 73.04 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.77 -27.83 31.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.882 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.512 HG21 ' HA ' ' A' ' 53' ' ' PHE . 10.5 p -52.74 -36.01 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 63.11 111.166 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.5 132.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.14 111.126 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.37 -43.0 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.25 161.7 39.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.078 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -131.92 143.15 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 54.52 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -140.73 135.26 31.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 151.56 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.15 110.892 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -88.97 117.31 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.04 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -63.67 -34.31 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.903 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.72 -41.1 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -126.7 115.87 20.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.828 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 -23.51 65.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -95.53 30.73 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.562 HG12 HD22 ' A' ' 11' ' ' LEU . 59.9 t -140.95 141.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.41 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.64 135.51 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 64.44 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.532 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.44 119.08 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 74.52 110.855 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.9 115.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.03 111.162 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.7 m -92.92 110.28 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.616 HD21 ' HE2' ' A' ' 10' ' ' PHE . 55.5 mt -77.58 148.58 35.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.921 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -58.12 152.9 15.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.944 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -64.99 110.0 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 72.13 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.11 14.06 43.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 73.2 112.472 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -109.76 161.56 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 71.45 110.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 7' ' ' ASP . 36.7 m -144.99 117.35 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.162 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' THR . 0.7 OUTLIER -77.4 105.27 8.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.887 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -106.19 131.86 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 70.22 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 3' ' ' THR . 3.5 mp -104.0 103.99 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.901 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -66.07 -31.2 71.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.859 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.14 -8.48 33.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 75.23 112.486 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.647 ' C ' HD23 ' A' ' 55' ' ' LEU . . . 90.59 -160.5 27.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 74.35 112.522 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 55' ' ' LEU . 26.0 mm -78.61 -23.33 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 74.01 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -33.19 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.896 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 HD21 ' A' ' 55' ' ' LEU . 12.1 tp -66.73 -35.09 79.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 62.34 110.936 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -64.23 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.96 -36.2 83.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.943 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -51.74 -64.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 70.41 110.896 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -73.91 -25.59 60.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 61.11 111.188 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.75 30.21 10.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 73.22 112.489 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.24 114.72 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.33 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 m -69.35 -26.09 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.885 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -69.22 -16.93 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 60.34 111.107 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.15 111.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 54.44 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.25 158.92 36.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.532 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.5 mt -118.57 132.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.42 111.162 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -127.48 153.59 77.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 74.24 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.8 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 72.32 112.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.7 tpt -72.67 116.08 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.932 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.42 111.122 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.867 0.365 . . . . 73.33 111.134 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -133.02 121.94 23.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.699 ' HG3' HG22 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -128.19 136.95 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.941 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -142.66 131.33 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.53 111.152 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -102.77 37.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 72.31 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.9 165.0 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 74.14 111.09 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.89 155.14 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.846 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 43.1 p90 -149.06 160.6 43.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.859 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 42' ' ' VAL . 17.4 mt -102.34 140.77 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 51.32 110.92 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 73' ' ' ILE . 3.4 tp -118.8 136.07 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.886 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 42' ' ' VAL . 84.5 t -126.62 124.73 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.14 111.178 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.33 -123.01 1.73 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 33.04 112.519 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -122.77 23.27 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 73.25 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.8 52.87 5.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.879 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 p -76.59 140.16 40.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.151 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -67.64 -17.21 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.861 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.1 mtm-85 -92.33 14.38 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -59.62 -35.98 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.877 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.12 -43.21 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.864 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 26' ' ' THR . 8.4 tp10 -66.28 -45.14 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.87 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 19' ' ' ARG . 89.1 t -57.31 -44.34 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 45' ' ' VAL . 11.2 mmt -73.78 -37.3 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -29.55 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.91 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 22' ' ' GLU . 22.8 p -55.47 -23.22 24.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 71.21 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.702 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 m-85 -96.89 119.17 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.893 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.46 -15.17 60.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.822 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.671 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.1 m -73.39 -26.21 60.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 65.03 111.142 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 45' ' ' VAL . 4.6 p -70.27 142.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 51.41 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -120.33 -39.42 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 55.23 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.23 153.44 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.13 148.21 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.13 111.117 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -143.73 135.49 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 159.46 30.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.872 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.93 115.15 28.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.849 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.79 -33.54 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.65 -52.48 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 65.41 110.899 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -131.77 112.47 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.51 -20.87 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -76.64 -5.06 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 13' ' ' VAL . 21.3 t -112.23 136.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.146 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.03 130.71 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 53.34 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.02 118.77 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.13 110.89 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 30' ' ' VAL . 93.8 t -98.23 112.34 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 71.55 111.171 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.85 110.9 22.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 64.1 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 29' ' ' THR . 30.4 mt -72.23 163.33 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -72.35 179.32 3.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -93.6 114.96 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.35 12.27 54.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 73.42 112.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.3 m -112.72 166.52 11.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.958 0.409 . . . . 73.52 110.853 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.41 ' C ' HG21 ' A' ' 29' ' ' THR . 96.5 m -139.7 123.65 17.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 64.34 111.098 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.671 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -84.71 96.33 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.906 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.699 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.2 t -106.0 143.65 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 71.52 111.091 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 3' ' ' THR . 4.5 mp -121.46 104.3 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 60.24 110.916 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.946 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.13 -9.13 20.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 44.44 112.491 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.96 -149.77 28.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 54.14 112.47 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' HD12 ' A' ' 73' ' ' ILE . 29.1 mm -78.69 -23.39 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 75.35 111.154 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -45.7 93.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.33 110.868 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -33.02 68.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.912 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.774 HD23 HD21 ' A' ' 71' ' ' LEU . 8.5 tp -66.82 -35.39 79.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 71.42 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.39 -40.48 95.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.93 -34.42 78.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.05 110.957 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.24 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 71' ' ' LEU . 14.6 t -68.06 -25.36 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 70.43 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.56 28.77 15.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 61.13 112.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -135.49 114.1 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 75.35 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -65.72 -25.7 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 61.53 110.886 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -67.28 -16.92 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.33 111.131 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD21 HD23 ' A' ' 62' ' ' LEU . 10.3 tt -55.27 116.07 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.04 110.934 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.19 150.05 51.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 62' ' ' LEU . 69.4 mt -110.65 132.92 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.22 111.156 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -130.07 153.53 81.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 70.12 110.89 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 114.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 62.44 112.352 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.72 131.24 45.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 43.22 110.934 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.128 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.837 0.351 . . . . 74.41 111.109 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 55' ' ' LEU . 41.7 t80 -146.47 118.98 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.87 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.654 ' HG3' HG22 ' A' ' 54' ' ' VAL . 4.9 tm0? -123.02 138.26 54.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 64.3 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.471 HG21 ' CD2' ' A' ' 10' ' ' PHE . 10.1 t -146.38 127.8 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.163 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.95 39.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 63.55 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -175.11 169.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.4 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -51.78 164.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 53.44 110.838 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 6' ' ' THR . 18.5 p90 -156.23 161.08 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.858 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -102.52 154.34 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.14 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -132.36 146.54 52.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.925 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.93 124.82 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.133 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.79 -131.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 65.44 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -123.6 25.9 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 63.55 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 54.15 75.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 72.11 110.857 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -106.77 140.96 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.11 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -24.89 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.882 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 32.5 mtt-85 -76.85 -10.49 59.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.869 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.652 ' HE1' HD22 ' A' ' 12' ' ' LEU . 19.7 t80 -56.37 -44.78 80.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.02 110.938 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.54 -44.52 90.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.896 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 26' ' ' THR . 7.5 tt0 -63.43 -47.45 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 19' ' ' ARG . 90.0 t -57.46 -42.88 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 52.14 111.113 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.37 -35.77 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -33.69 72.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 22' ' ' GLU . 19.8 p -56.45 -23.71 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.142 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.36 113.4 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -53.63 -28.07 30.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 71.3 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 51' ' ' SER . 0.2 OUTLIER -66.33 -30.79 71.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.33 111.158 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 45' ' ' VAL . 84.9 t -72.9 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.156 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -97.29 -43.19 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 70.14 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.5 169.62 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.132 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.38 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.03 111.126 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -143.26 135.41 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 61.51 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 142.17 30.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.44 110.854 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -81.12 113.01 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 72.52 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.01 -29.88 68.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.13 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.82 -45.55 67.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.916 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.77 122.37 28.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 53.44 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.31 -22.35 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.825 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -95.54 32.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 75.43 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -141.57 132.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.27 139.51 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.15 110.939 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptp -109.25 118.93 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 30' ' ' VAL . 97.1 t -93.74 127.07 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 74.05 111.104 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.42 109.42 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 55.2 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 10' ' ' PHE . 84.7 mt -75.54 157.76 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 70.41 110.912 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -72.3 134.58 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.02 110.918 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.82 111.38 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.91 2.95 30.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 29' ' ' THR . 48.6 m -111.53 169.27 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 72.21 110.869 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 ' C ' HG21 ' A' ' 29' ' ' THR . 92.5 m -141.1 115.03 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 65.42 111.161 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -79.44 97.49 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.858 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.5 t -105.97 143.68 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.24 111.166 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' A' ' 4' ' ' PHE . 54.4 mt -119.31 104.36 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -60.45 -41.83 94.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.17 -25.65 23.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 62.13 112.461 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.0 -153.04 18.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 74.45 112.509 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.9 mm -78.24 -23.49 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 63.34 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.45 -45.36 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.11 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.95 -33.65 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.873 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.662 ' CD2' HD11 ' A' ' 73' ' ' ILE . 9.6 tp -69.62 -37.49 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.67 -40.12 92.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -35.04 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.24 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.75 -68.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.1 t -70.71 -24.05 62.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.11 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 43.25 5.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 44.32 112.485 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.85 114.08 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 71.21 110.803 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -69.01 -25.31 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 43.24 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -65.11 -23.78 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.14 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD21 HD23 ' A' ' 62' ' ' LEU . 10.0 tt -52.08 110.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -123.05 161.22 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 62' ' ' LEU . 61.6 mt -126.89 133.15 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 74.23 111.123 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.68 153.66 79.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 71.44 110.968 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 75.33 112.35 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.56 121.08 15.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.844 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 64.12 111.146 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 44.31 111.155 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 55' ' ' LEU . 45.8 t80 -146.92 118.92 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.657 ' CG ' HG22 ' A' ' 54' ' ' VAL . 5.4 tm0? -122.72 135.96 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -137.27 122.31 19.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 52' ' ' THR . 24.4 t0 -92.84 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.814 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -177.08 166.13 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -52.06 158.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.866 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.618 ' HE1' HD21 ' A' ' 47' ' ' LEU . 21.0 p90 -147.64 172.57 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.897 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 44' ' ' MET . 13.8 mt -106.79 157.48 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.946 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -124.42 132.7 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 52.22 110.92 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.55 125.2 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.71 -138.26 2.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 75.43 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -97.87 25.93 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.13 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.59 42.8 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 64.32 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.24 149.86 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 54.44 111.129 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 m -67.31 -15.92 63.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 70.34 110.863 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.5 mtt180 -77.7 -22.08 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 72.32 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 12' ' ' LEU . 2.5 m-85 -59.95 -44.93 94.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.922 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.09 -38.06 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.906 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 tm-20 -66.89 -47.62 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 19' ' ' ARG . 84.3 t -61.56 -39.19 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.13 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.706 ' CE ' HD21 ' A' ' 62' ' ' LEU . 11.1 mmt -73.14 -33.75 65.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.912 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.0 p -57.84 -22.33 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 71.11 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.2 117.44 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -53.65 -30.38 42.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.599 ' OG1' HD22 ' A' ' 47' ' ' LEU . 3.4 t -66.27 -29.79 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.13 111.177 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 45' ' ' VAL . 84.7 t -79.1 132.61 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.121 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -103.23 -45.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.91 150.33 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.43 142.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.085 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -137.96 135.41 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 158.13 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.21 110.929 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.37 112.89 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -53.57 -31.55 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 70.14 110.859 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.05 -46.9 61.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -131.36 124.78 31.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 60.11 110.88 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.58 -20.64 64.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.81 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -94.99 29.0 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 11' ' ' LEU . 59.6 t -141.73 132.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.01 111.14 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.9 128.42 42.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.879 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.706 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -91.47 118.68 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.51 110.861 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 30' ' ' VAL . 84.6 t -100.0 113.73 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.4 111.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 m -93.25 112.87 24.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.618 HD21 ' HE1' ' A' ' 10' ' ' PHE . 53.4 mt -77.62 173.35 12.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.942 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -88.89 179.3 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.52 110.912 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -91.96 114.13 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.12 -18.9 38.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 43.32 112.508 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 m -91.26 164.08 14.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.957 0.408 . . . . 42.42 110.882 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 7' ' ' ASP . 26.8 m -145.17 132.65 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 73.52 111.114 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -88.06 96.75 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 63.35 110.848 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG22 ' CG ' ' A' ' 5' ' ' GLN . 86.5 t -106.0 142.99 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.13 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 3' ' ' THR . 44.1 mt -114.27 104.38 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.04 110.904 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -63.8 -26.39 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 53.14 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.73 22.99 9.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 25.25 112.524 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . . . 68.79 -155.51 53.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.755 . . . . 43.02 112.514 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 55' ' ' LEU . 36.2 mm -78.76 -23.18 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 51.34 111.152 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.28 -45.46 94.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 64.31 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -32.9 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.896 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 71' ' ' LEU . 13.0 tp -71.01 -42.92 68.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 74.03 110.961 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.26 -40.2 95.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.932 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.47 -35.18 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.908 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.69 -71.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.602 ' CB ' HG21 ' A' ' 23' ' ' VAL . 14.7 t -61.94 -26.73 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.03 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.77 21.06 32.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 53.14 112.463 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.504 ' H ' HG23 ' A' ' 66' ' ' THR . 3.5 t0 -126.1 121.27 32.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 52.44 110.893 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -80.28 -2.23 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.1 p -88.07 -22.9 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.107 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 62' ' ' LEU . 3.4 tt -52.69 121.42 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 70.41 110.931 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.07 151.87 50.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.902 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.9 mt -110.71 132.17 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -129.63 153.6 80.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 73.33 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 73.14 112.393 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -65.82 128.08 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.865 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 75.43 111.134 179.94 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.776 0.322 . . . . 72.52 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.03 33.96 5.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 74.53 111.127 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -51.85 153.1 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 74.32 111.171 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.762 ' HB3' HD12 ' A' ' 55' ' ' LEU . 22.3 t80 -146.36 118.93 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.877 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.721 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -124.43 141.85 51.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.91 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -151.05 131.77 14.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.143 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -102.54 40.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.88 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.24 167.15 8.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.052 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -52.29 157.02 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.829 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' HE2' HD21 ' A' ' 47' ' ' LEU . 27.5 p90 -150.21 165.05 34.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.847 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.629 HD22 ' CG1' ' A' ' 42' ' ' VAL . 14.1 mt -102.48 144.1 31.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.492 . . . . 70.24 110.918 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.542 HD12 HG12 ' A' ' 73' ' ' ILE . 3.8 tp -123.74 137.69 54.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 72.35 110.897 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -126.81 124.77 65.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 70.45 111.115 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.01 -121.15 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 75.31 112.509 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -130.36 29.29 4.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.767 0.318 . . . . 61.04 110.858 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.47 67.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.879 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.68 140.28 42.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.126 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -67.02 -16.71 64.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 43.22 110.85 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.665 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -76.48 -3.33 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.876 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -55.93 -34.4 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.911 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.94 -45.32 64.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.869 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 26' ' ' THR . 23.0 tp10 -66.66 -43.08 85.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.872 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.72 HG21 ' HB ' ' A' ' 66' ' ' THR . 99.2 t -57.27 -45.5 84.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 75.23 111.123 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 45' ' ' VAL . 8.4 mmt -73.62 -38.02 65.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 70.43 110.855 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -29.05 56.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.859 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 22' ' ' GLU . 24.0 p -55.56 -23.95 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 72.24 111.163 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -102.95 113.07 26.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.849 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -53.54 -27.88 28.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.91 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.663 HG22 HD22 ' A' ' 47' ' ' LEU . 30.3 m -59.3 -28.08 66.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.23 111.174 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG13 HG13 ' A' ' 45' ' ' VAL . 91.9 t -71.45 130.75 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.35 111.144 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -105.77 -42.95 5.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.837 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.86 167.03 25.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 63.51 111.118 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.76 150.15 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 72.52 111.097 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -143.31 135.22 26.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 71.34 110.901 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 148.91 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.55 110.896 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 118.27 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 65.21 110.834 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -60.93 -37.88 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 74.15 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -67.84 -44.44 77.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.904 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' HB3' HG23 ' A' ' 42' ' ' VAL . 93.8 m-20 -127.63 114.58 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.867 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.66 -20.83 64.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 75.54 110.827 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -91.39 14.45 14.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.835 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.629 ' CG1' HD22 ' A' ' 11' ' ' LEU . 48.0 t -126.75 132.0 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.44 111.145 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -132.71 138.55 47.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 70.01 110.898 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ptp -105.47 118.89 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 74.51 110.887 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 24' ' ' MET . 90.5 t -97.69 125.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 52.24 111.137 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.3 m -100.71 112.21 24.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.885 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 29' ' ' THR . 57.3 mt -76.07 162.07 28.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 71.02 110.91 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.13 132.64 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 61.01 110.891 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -54.23 107.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 63.42 110.888 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.68 -19.26 10.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 65.03 112.508 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.429 ' CB ' HG23 ' A' ' 29' ' ' THR . 39.7 m -90.64 166.4 13.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.973 0.416 . . . . 62.21 110.844 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.473 HG22 HG23 ' A' ' 54' ' ' VAL . 88.0 m -140.41 113.84 8.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 72.13 111.161 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.635 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -77.22 95.05 4.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.852 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.721 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.0 t -105.96 142.9 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 71.43 111.128 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' A' ' 4' ' ' PHE . 59.7 mt -116.84 104.29 11.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.903 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -70.09 -25.27 63.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 72.32 110.846 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.47 -11.25 27.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.797 -0.716 . . . . 73.52 112.518 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.8 -158.85 23.53 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 70.1 112.498 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.543 ' CD1' HD12 ' A' ' 73' ' ' ILE . 35.9 mm -78.85 -23.06 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 65.32 111.151 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -61.07 -45.63 93.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.913 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -62.82 -32.88 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.14 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.939 HD23 HD21 ' A' ' 71' ' ' LEU . 11.8 tp -71.04 -36.38 72.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.88 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -65.0 -33.94 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 71.4 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.96 -34.04 77.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.913 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.88 -65.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.925 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.72 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.3 t -69.5 -24.97 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.138 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.72 24.02 31.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.711 -0.756 . . . . 72.34 112.473 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.45 127.41 31.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.788 0.328 . . . . 74.52 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.7 m -75.96 -21.48 56.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 64.52 110.877 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.1 m -65.03 -23.36 67.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 63.23 111.17 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.939 HD21 HD23 ' A' ' 62' ' ' LEU . 7.3 tt -51.86 115.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 64.35 110.919 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -130.2 162.24 29.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 64.31 110.929 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 62' ' ' LEU . 53.5 mt -126.81 133.05 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.43 111.131 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -132.26 153.62 81.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 74.34 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 111.61 2.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 71.32 112.325 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.03 121.82 16.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.901 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.2 mt -88.91 130.84 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 65.3 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.3 p -78.5 133.24 63.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.597 0.713 . . . . 54.34 111.112 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.441 ' HD2' HG23 ' A' ' 78' ' ' VAL . 53.7 Cg_endo -69.81 159.41 53.48 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 73.15 112.31 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.2 t -107.99 148.46 29.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.31 111.201 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 p -101.1 109.33 21.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.12 111.128 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 75.42 110.886 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.9 mtp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.777 0.322 . . . . 73.35 110.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.59 60.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 111.103 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p -52.12 158.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 72.12 111.162 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.652 ' HB3' HD12 ' A' ' 55' ' ' LEU . 34.7 t80 -146.96 118.96 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 71.11 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.72 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -124.03 137.56 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 74.42 110.885 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 10' ' ' PHE . 5.2 t -147.23 122.51 10.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 42.11 111.145 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 p30 -93.03 43.71 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 72.12 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.09 168.02 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 52.23 111.085 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -51.63 158.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.45 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' CD2' HG21 ' A' ' 6' ' ' THR . 27.3 p90 -153.41 164.46 38.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.841 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.1 mt -102.48 156.87 17.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 43.45 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.508 HD11 ' HG ' ' A' ' 71' ' ' LEU . 9.5 tp -133.58 131.44 39.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.92 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.67 125.09 73.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 42.34 111.134 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.94 -138.53 2.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 52.12 112.452 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -98.82 17.64 18.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 73.32 110.878 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.6 t0 51.36 57.61 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 61.11 110.848 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.77 140.49 44.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 72.41 111.17 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -67.24 -16.96 64.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 62.34 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.1 ttp180 -84.99 4.29 34.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.853 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -57.29 -34.87 69.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.35 110.884 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.75 -45.98 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 71.22 110.873 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -66.47 -47.63 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 71.02 110.915 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.779 HG21 ' HB ' ' A' ' 66' ' ' THR . 92.6 t -57.34 -43.11 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.43 111.171 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.619 ' CE ' HG11 ' A' ' 45' ' ' VAL . 82.4 mmm -73.44 -38.12 65.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 62.44 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -27.69 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 61.13 110.898 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 p -55.29 -23.88 25.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 60.35 111.144 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.67 113.18 26.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 62.22 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -53.6 -27.48 26.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.876 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.611 HG22 ' HB3' ' A' ' 51' ' ' SER . 41.2 p -58.66 -29.16 66.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.119 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.29 109.01 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 73.43 111.132 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -87.97 -38.76 15.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.15 110.89 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.32 165.15 24.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 73.32 111.128 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.18 151.26 34.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.44 111.082 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -145.41 135.35 23.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 71.13 110.881 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 168.4 15.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.881 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -108.52 111.5 23.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 64.23 110.805 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.6 -32.12 70.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 75.44 110.848 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.55 -38.7 62.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 60.14 110.942 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG23 ' A' ' 42' ' ' VAL . 54.5 m-20 -131.77 115.39 15.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.924 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -68.36 -21.14 64.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.83 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.8 mtm180 -95.51 25.7 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.832 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HB3' ' A' ' 39' ' ' ASP . 55.7 t -136.65 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 73.21 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -135.96 145.48 46.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 53.44 110.943 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.78 118.84 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 71.11 110.915 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG11 ' CE ' ' A' ' 24' ' ' MET . 31.9 t -95.45 128.08 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 70.23 111.136 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 100.0 m -97.93 108.75 21.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.866 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 59.9 mt -78.06 142.97 37.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 73.3 110.931 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -53.44 158.93 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.921 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.45 103.5 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 74.55 110.956 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.66 -34.43 5.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 63.44 112.488 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.611 ' HB3' HG22 ' A' ' 29' ' ' THR . 38.8 m -64.42 164.6 11.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.952 0.406 . . . . 72.23 110.864 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.437 ' O ' HG21 ' A' ' 29' ' ' THR . 89.8 m -140.35 118.35 11.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 42.13 111.161 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.7 98.49 7.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.72 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.1 t -105.97 143.4 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 74.15 111.125 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 4' ' ' PHE . 48.9 mt -118.4 104.33 10.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 53.34 110.895 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -63.62 -36.99 85.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.896 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.15 -19.8 32.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 52.41 112.468 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 95.72 -154.81 21.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 72.3 112.51 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.522 ' CD1' HD12 ' A' ' 73' ' ' ILE . 25.8 mm -78.3 -23.14 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 74.02 111.137 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -61.1 -45.38 94.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.918 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -68.85 -33.59 74.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.897 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.794 HD23 HD21 ' A' ' 71' ' ' LEU . 8.4 tp -71.18 -35.84 71.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.897 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -63.46 -46.17 87.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.845 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -64.39 -34.7 78.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -53.09 -74.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.905 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.779 ' HB ' HG21 ' A' ' 23' ' ' VAL . 3.8 t -67.82 -26.13 65.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 53.21 111.112 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.33 -13.28 54.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 72.34 112.466 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.7 ' H ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -79.78 102.69 9.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.341 . . . . 75.42 110.863 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 t -68.31 -19.73 64.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.904 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.9 p -94.86 24.64 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 74.3 111.172 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.794 HD21 HD23 ' A' ' 62' ' ' LEU . 5.4 tt -79.9 118.29 21.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.04 110.89 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -120.58 154.26 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 73.11 110.877 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.702 HD11 ' CD2' ' A' ' 62' ' ' LEU . 57.7 mt -127.34 128.03 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.23 111.124 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -139.26 158.52 68.92 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 71.52 110.877 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 122.45 9.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.21 . . . . 73.3 112.34 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -73.8 124.19 25.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.23 110.899 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt -87.25 133.77 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 52.32 111.15 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.3 p -79.32 133.25 60.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.7 . . . . 62.23 111.14 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.74 120.64 7.4 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.678 2.252 . . . . 70.33 112.317 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 135.45 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 64.2 111.137 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -66.76 131.51 46.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 65.31 111.112 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.14 110.949 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.822 0.344 . . . . 64.43 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.14 52.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 72.41 111.148 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -52.32 147.03 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 60.31 111.124 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -136.64 118.57 15.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 54.23 110.854 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -119.39 132.93 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.33 110.898 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 HG21 ' CD2' ' A' ' 10' ' ' PHE . 6.3 t -140.84 123.28 15.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 60.32 111.111 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -95.15 44.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.888 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.28 169.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 71.1 111.069 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -51.62 156.84 1.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 64.35 110.854 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.565 ' CE2' HD21 ' A' ' 47' ' ' LEU . 16.4 p90 -148.55 158.41 44.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.855 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -102.65 144.74 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 73.12 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.47 138.63 54.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 43.14 110.932 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.1 t -124.61 124.79 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.54 111.126 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.82 -141.59 3.2 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 64.04 112.484 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -99.27 22.56 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.349 . . . . 72.21 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 65.1 t0 51.7 55.78 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.2 110.842 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 p -82.42 140.83 33.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 71.15 111.128 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -66.36 -16.82 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 70.33 110.883 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.6 tpt180 -78.08 -2.17 36.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.817 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -55.8 -34.11 65.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.32 110.938 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -70.22 -46.09 65.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 53.34 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -66.87 -43.1 84.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 52.15 110.879 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 19' ' ' ARG . 94.9 t -57.64 -45.09 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 53.43 111.105 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.546 ' SD ' HG21 ' A' ' 45' ' ' VAL . 14.0 mmt -73.57 -35.1 65.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.885 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -23.14 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 71.13 110.88 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.3 p -52.0 -28.98 18.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 52.03 111.089 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.93 120.69 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.905 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -55.23 -26.61 40.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 72.35 110.853 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.631 HG23 ' CB ' ' A' ' 51' ' ' SER . 26.5 m -53.86 -29.75 42.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 50.22 111.133 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG13 HG13 ' A' ' 45' ' ' VAL . 86.0 t -70.53 104.37 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 52.24 111.124 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -77.62 -42.62 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.14 168.0 15.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 71.11 111.101 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.07 150.55 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 75.12 111.093 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -142.83 135.45 27.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.888 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 163.17 19.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.903 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.24 119.3 38.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.857 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.72 -28.9 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.907 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -36.91 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.13 110.88 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -131.84 118.4 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.34 110.868 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.57 -23.0 64.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.863 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -95.67 30.8 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.45 110.847 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.8 t -138.19 134.51 44.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.192 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -139.54 141.2 37.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.903 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.5 ptp -113.2 118.74 35.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 65.24 110.88 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.546 HG21 ' SD ' ' A' ' 24' ' ' MET . 85.5 t -95.24 127.37 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.3 111.121 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 89.6 m -98.85 113.59 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 62.2 110.903 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 HG22 ' A' ' 29' ' ' THR . 66.0 mt -81.8 146.41 29.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.885 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -64.37 133.17 52.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.848 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -51.99 117.71 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 54.54 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.82 -19.95 37.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 50.11 112.456 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.631 ' CB ' HG23 ' A' ' 29' ' ' THR . 33.6 m -91.89 161.89 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.993 0.425 . . . . 64.14 110.83 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.2 m -142.28 122.09 13.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 63.22 111.14 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -81.05 104.79 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 60.44 110.877 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.449 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.3 t -106.19 138.98 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 51.13 111.125 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 55' ' ' LEU . 1.3 mm? -110.84 104.93 13.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.957 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -66.08 -29.97 70.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.864 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -108.7 -14.83 14.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.757 -0.735 . . . . 74.21 112.489 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 96.86 -160.3 21.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 63.33 112.488 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.51 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.8 mm -78.48 -21.94 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.861 0.362 . . . . 75.15 111.149 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -60.51 -45.66 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.881 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.15 -32.8 73.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.867 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 HD23 HD21 ' A' ' 71' ' ' LEU . 14.8 tp -71.16 -35.8 71.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.892 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -64.45 -37.73 88.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.888 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.53 -40.22 93.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.919 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.5 -69.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 65.41 110.871 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 68' ' ' ASP . 2.8 t -63.25 -28.19 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 73.21 111.11 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.73 1.29 63.74 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 61.54 112.461 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.707 ' H ' HG23 ' A' ' 66' ' ' THR . 1.4 t70 -107.07 112.66 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 72.04 110.834 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -68.72 -24.75 64.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.901 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.13 -15.49 63.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 72.45 111.183 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 66' ' ' THR . 8.8 tt -59.56 113.25 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.894 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' HA ' HG21 ' A' ' 59' ' ' ILE . 3.8 mt-10 -133.96 148.29 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 73.51 110.914 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.51 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.1 mt -106.36 133.11 51.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 71.45 111.097 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -128.72 153.51 79.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.699 . . . . 64.24 110.945 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.681 2.254 . . . . 35.14 112.387 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 ttt -54.1 127.23 25.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 63.24 110.865 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.75 128.72 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 64.12 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.429 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.3 t -99.52 133.34 21.96 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.621 0.724 . . . . 55.03 111.16 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.429 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.75 170.12 17.31 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.708 2.272 . . . . 74.35 112.36 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 m -98.54 130.27 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 62.45 111.144 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.8 p -102.27 156.29 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 75.43 111.15 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.35 110.851 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.746 0.308 . . . . 74.02 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.43 67.03 5.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 63.32 111.08 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -51.92 156.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 65.23 111.167 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HB3' HD12 ' A' ' 55' ' ' LEU . 16.0 t80 -146.89 118.95 8.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 72.21 110.884 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.605 ' HG3' HG22 ' A' ' 54' ' ' VAL . 1.1 tm0? -124.46 137.96 54.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 62.13 110.922 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 10' ' ' PHE . 11.1 t -150.88 131.63 14.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.22 111.139 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -102.86 32.09 3.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 74.34 110.823 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.21 166.23 30.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.34 111.113 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.05 156.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.851 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.637 ' CE2' HD21 ' A' ' 47' ' ' LEU . 20.7 p90 -150.78 159.8 44.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 72.43 110.844 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -102.33 154.01 19.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 75.1 110.94 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.37 145.68 51.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.3 t -126.71 124.94 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.55 111.174 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.93 -135.99 2.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 45.04 112.495 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.13 22.91 12.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.755 0.312 . . . . 45.34 110.838 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 58.27 56.47 4.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 70.14 110.853 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.47 140.87 43.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.17 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -66.54 -17.15 64.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 63.21 110.868 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 23' ' ' VAL . 93.9 mtt180 -92.03 14.45 15.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.848 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -57.72 -40.63 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 71.25 110.885 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.13 -40.76 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.884 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' HG23 ' A' ' 26' ' ' THR . 17.1 tt0 -64.96 -47.65 76.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.923 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 19' ' ' ARG . 96.9 t -57.92 -42.46 82.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 61.5 111.153 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt -73.7 -37.92 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.891 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -56.52 -28.65 60.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.32 110.863 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' GLU . 21.9 p -55.5 -23.76 27.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 73.34 111.14 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -102.77 114.34 28.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -53.58 -27.46 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.864 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.735 HG21 ' N ' ' A' ' 53' ' ' PHE . 1.3 m -59.09 -31.41 68.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 74.33 111.174 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG13 HG13 ' A' ' 45' ' ' VAL . 99.4 t -70.38 134.1 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 72.11 111.118 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -112.9 -41.37 3.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.903 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -159.96 164.74 33.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 51.21 111.119 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.91 150.06 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 55.05 111.122 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -145.52 135.33 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.13 110.898 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.13 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.915 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -90.18 119.08 30.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 64.42 110.825 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -65.37 -36.23 83.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 71.43 110.853 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.4 mt -71.21 -38.96 72.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.89 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' CG ' HG23 ' A' ' 42' ' ' VAL . 43.1 t0 -130.84 116.38 17.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 71.14 110.885 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.57 -20.85 64.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 62.22 110.866 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -94.99 30.15 2.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 73.31 110.867 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG23 ' CG ' ' A' ' 39' ' ' ASP . 58.0 t -141.62 143.6 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.098 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -141.62 136.88 31.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 54.02 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 ptp -102.86 122.14 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 52.41 110.87 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 24' ' ' MET . 96.8 t -99.1 124.47 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 64.52 111.128 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.5 t -97.06 111.64 23.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.843 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' A' ' 10' ' ' PHE . 62.1 mt -77.36 155.58 31.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.943 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -71.62 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -56.84 109.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.934 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.72 1.82 25.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 75.33 112.512 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.8 m -111.07 166.88 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.013 0.435 . . . . 44.51 110.824 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.7 m -140.64 112.3 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 43.35 111.128 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.735 ' N ' HG21 ' A' ' 29' ' ' THR . 4.3 t80 -75.45 97.96 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.605 HG22 ' HG3' ' A' ' 5' ' ' GLN . 94.9 t -106.05 143.27 17.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.134 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.685 HD12 ' HB3' ' A' ' 4' ' ' PHE . 47.3 mt -118.89 104.28 10.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 63.13 110.896 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -65.92 -31.39 72.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.899 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.62 -12.45 37.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 64.33 112.507 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.92 -157.02 25.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 63.12 112.445 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.597 ' CD1' HD12 ' A' ' 73' ' ' ILE . 37.3 mm -78.89 -23.12 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.768 0.318 . . . . 54.04 111.097 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -61.17 -45.58 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.45 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -65.95 -32.85 74.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.912 HD23 HD21 ' A' ' 71' ' ' LEU . 10.6 tp -67.46 -41.23 84.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.928 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -59.07 -40.39 85.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.857 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.02 -34.92 79.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.925 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -59.64 -74.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.471 ' HB ' HG21 ' A' ' 23' ' ' VAL . 14.9 t -62.73 -24.18 67.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.132 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.37 31.39 16.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 42.14 112.498 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -128.73 118.94 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 71.25 110.857 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -77.57 -20.83 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.911 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.9 p -85.99 5.69 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 71.23 111.164 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.912 HD21 HD23 ' A' ' 62' ' ' LEU . 6.6 tt -72.41 113.26 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -124.32 160.07 28.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 72.24 110.892 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 59' ' ' ILE . 62.2 mt -126.09 133.17 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -130.62 153.56 81.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.635 0.731 . . . . 71.02 110.912 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 119.24 6.22 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.722 2.281 . . . . 71.14 112.354 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.3 tpt -64.35 145.5 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 72.31 110.905 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 45.6 mm -115.0 136.27 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.141 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.3 t -114.43 133.32 22.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 72.11 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 -179.77 3.17 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.629 2.22 . . . . 71.22 112.323 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 m -121.19 -41.06 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 71.11 111.11 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.9 p -68.5 127.91 34.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 55.21 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.855 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ttt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 74.31 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.9 66.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.103 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.07 159.02 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 63.44 111.152 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -145.74 122.94 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.845 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.619 ' HG3' HG22 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -131.6 135.02 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 75.42 110.885 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -139.16 126.38 21.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.35 111.157 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -95.07 37.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.288 -0.415 . . . . 75.54 110.902 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -168.25 167.89 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 65.44 111.083 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -52.68 160.19 0.94 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 75.21 110.897 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.685 ' CE2' HD21 ' A' ' 47' ' ' LEU . 17.6 p90 -151.64 156.99 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.876 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -102.52 148.66 25.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 mp -121.34 137.26 54.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 73.11 110.946 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.0 t -124.08 125.77 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 64.31 111.076 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.17 -140.1 2.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.2 112.484 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.24 16.12 22.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.845 0.355 . . . . 74.42 110.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.7 t0 51.99 73.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 60.31 110.872 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -110.58 150.17 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 61.21 111.173 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.1 t -67.05 -15.87 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 60.23 110.898 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.0 mtt180 -75.9 -21.72 56.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.874 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.7 ' CZ ' HD12 ' A' ' 71' ' ' LEU . 2.4 m-85 -59.72 -36.99 77.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 63.52 110.931 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -70.01 -48.03 59.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 75.24 110.897 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -63.84 -47.6 80.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 64.3 110.884 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' ARG . 87.3 t -61.76 -36.63 74.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 62.53 111.136 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.487 ' CE ' HD11 ' A' ' 62' ' ' LEU . 30.1 mmt -75.13 -37.29 61.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.909 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.661 ' HE3' HG23 ' A' ' 33' ' ' VAL . 0.8 OUTLIER -72.2 -13.07 61.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.867 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 23' ' ' VAL . 2.3 t -52.83 -26.46 14.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 71.51 111.168 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.88 129.86 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.873 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -54.25 -27.1 32.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 72.51 110.881 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.656 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.8 m -51.66 -35.52 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 52.43 111.146 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 45' ' ' VAL . 91.8 t -80.58 117.66 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 43.43 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -84.53 -46.65 11.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 60.12 110.839 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.48 164.15 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 71.15 111.09 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 ' HE3' ' A' ' 25' ' ' LYS . 67.6 t -131.91 144.73 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.05 111.114 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -140.1 135.24 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.881 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 170.05 5.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.916 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.69 116.58 31.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 50.13 110.835 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -58.05 -26.08 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 71.33 110.899 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.3 mm? -72.41 -50.38 26.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 63.41 110.908 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 42' ' ' VAL . 3.4 m-20 -129.9 128.57 42.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.9 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -67.1 -22.43 65.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.22 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -95.81 29.43 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.835 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 39' ' ' ASP . 97.6 t -133.8 132.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 61.52 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -137.29 130.48 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.916 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.22 118.94 33.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 75.44 110.899 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.433 HG13 HG13 ' A' ' 30' ' ' VAL . 59.9 t -95.76 113.13 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.148 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.2 m -90.95 111.29 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.873 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.685 HD21 ' CE2' ' A' ' 10' ' ' PHE . 46.0 mt -81.53 154.98 25.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.923 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.61 136.28 55.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.895 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -59.2 109.59 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 64.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 110.3 4.17 29.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 54.24 112.445 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 29' ' ' THR . 40.6 m -111.84 165.8 11.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.951 0.405 . . . . 73.1 110.876 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.418 ' C ' HG21 ' A' ' 29' ' ' THR . 95.8 m -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 53.44 111.166 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.656 ' N ' HG21 ' A' ' 29' ' ' THR . 4.2 t80 -79.27 101.54 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.898 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.619 HG22 ' HG3' ' A' ' 5' ' ' GLN . 97.7 t -106.0 143.36 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 64.14 111.11 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.593 HD21 HD12 ' A' ' 62' ' ' LEU . 5.5 mp -118.48 104.39 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 33.3 110.908 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -55.99 -28.49 57.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 64.41 110.888 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.54 -5.83 23.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.779 -0.724 . . . . 52.12 112.535 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.99 -154.69 35.74 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.738 . . . . 32.5 112.492 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CD1' HD12 ' A' ' 73' ' ' ILE . 27.6 mm -78.7 -23.43 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.749 0.309 . . . . 62.42 111.123 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -61.44 -45.75 92.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.903 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.96 -33.15 67.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.873 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 71' ' ' LEU . 3.7 tt -68.57 -41.89 79.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 75.12 110.915 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -59.05 -41.23 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.877 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.97 -39.24 93.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.964 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.78 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 50.44 110.898 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.773 HG21 HD13 ' A' ' 71' ' ' LEU . 2.7 t -55.6 -27.2 48.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 74.33 111.149 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.38 30.28 9.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.493 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -138.35 123.76 19.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 64.55 110.9 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.7 m -80.33 -24.47 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 74.45 110.839 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.2 m -71.05 -18.12 62.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 71.33 111.143 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.773 HD13 HG21 ' A' ' 66' ' ' THR . 8.3 tt -55.43 115.81 2.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 73.01 110.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.01 154.54 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 72.05 110.879 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 59' ' ' ILE . 57.7 mt -119.64 131.6 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 71.45 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -119.55 154.81 54.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.62 0.724 . . . . 73.22 110.888 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 116.2 4.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.648 2.232 . . . . 71.34 112.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -63.49 138.9 58.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.902 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.5 mm -118.21 131.64 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 62.33 111.082 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.3 p -80.63 133.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.65 0.738 . . . . 72.34 111.087 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.72 146.87 61.77 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.697 2.265 . . . . 75.33 112.35 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -146.22 130.21 17.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.143 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -122.89 164.8 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 71.34 111.162 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 74.35 110.884 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ttt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.794 0.331 . . . . 62.31 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.05 83.57 2.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.23 111.087 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.94 158.61 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 64.43 111.138 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -143.44 119.42 10.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.629 ' CG ' HG22 ' A' ' 54' ' ' VAL . 0.8 OUTLIER -126.92 134.63 50.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.89 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.402 HG21 ' CD2' ' A' ' 10' ' ' PHE . 9.9 t -141.32 127.86 20.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 74.04 111.149 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -97.73 36.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.89 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.57 168.95 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.34 111.087 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.96 158.77 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.851 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CD2' HG21 ' A' ' 6' ' ' THR . 21.0 p90 -151.64 161.4 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 71.11 110.862 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.9 mt -103.97 154.82 19.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.928 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD11 HD21 ' A' ' 71' ' ' LEU . 6.0 tp -130.56 129.16 42.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.905 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -117.93 124.84 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 63.34 111.145 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.54 -132.16 1.33 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 64.34 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -106.02 20.46 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 65.14 110.883 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 62.9 t0 51.67 63.73 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.842 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 140.86 32.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.53 111.153 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.9 t -66.64 -16.62 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.825 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -85.64 6.96 25.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.842 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.92 -39.06 71.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -71.91 -40.93 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 73.21 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 26' ' ' THR . 29.7 tt0 -65.27 -47.46 76.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.88 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 19' ' ' ARG . 58.0 t -58.2 -42.88 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 54.52 111.111 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mmt -73.18 -37.93 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -54.36 -28.5 43.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.919 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.5 p -58.41 -21.49 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.35 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -103.73 113.87 27.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 54.22 110.875 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.91 -27.8 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 74.15 110.847 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.643 HG22 ' HB3' ' A' ' 51' ' ' SER . 8.6 p -59.31 -29.71 67.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 61.45 111.13 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.18 123.6 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 62.43 111.105 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -101.63 -41.23 6.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.41 164.43 27.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 70.21 111.125 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.9 t -131.99 150.77 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 62.45 111.109 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -142.96 135.22 27.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 159.01 24.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.898 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 t -98.54 107.79 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.846 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.74 -27.96 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.22 110.893 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 mt -78.74 -37.75 40.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.943 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -131.78 116.03 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.844 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -67.93 -22.71 65.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.31 110.907 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -95.74 30.34 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 75.14 110.884 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.8 t -140.71 131.93 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.15 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -135.71 137.36 41.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.907 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.51 118.93 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.04 110.824 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.69 123.83 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 65.1 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -97.08 117.32 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 63.54 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.94 152.43 26.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 73.23 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -61.01 179.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 52.32 110.915 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -91.21 118.32 30.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 54.41 110.92 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.93 15.45 59.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 63.11 112.474 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.643 ' HB3' HG22 ' A' ' 29' ' ' THR . 39.7 m -112.42 165.3 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 75.33 110.875 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.441 ' O ' HG21 ' A' ' 29' ' ' THR . 89.9 m -141.48 117.82 10.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 63.55 111.132 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -80.15 97.45 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.836 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.629 HG22 ' CG ' ' A' ' 5' ' ' GLN . 94.3 t -105.98 142.9 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 72.1 111.132 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -115.74 104.4 11.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.931 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.06 -26.06 68.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.855 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.52 -1.15 34.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 71.24 112.469 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.564 ' O ' HD22 ' A' ' 55' ' ' LEU . . . 79.73 -159.2 43.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 51.41 112.475 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.571 ' CD1' HD12 ' A' ' 73' ' ' ILE . 48.5 mm -78.59 -23.36 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 72.15 111.152 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.09 -43.69 91.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.33 110.839 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.81 -32.87 74.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.04 110.861 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.913 HD23 HD21 ' A' ' 71' ' ' LEU . 5.2 tp -71.29 -34.68 70.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.925 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -57.88 -50.39 73.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 73.41 110.915 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 mt -65.27 -34.17 77.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 63.42 110.909 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD12 HD12 ' A' ' 62' ' ' LEU . 2.8 mt -51.68 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 64.25 110.941 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.3 t -60.23 -26.71 66.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.114 -0.494 . . . . 74.42 111.142 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.51 34.0 5.7 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 71.23 112.495 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.5 137.53 25.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 75.33 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -91.66 14.37 15.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.23 110.89 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 m -110.48 -16.95 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 61.13 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HD23 ' A' ' 62' ' ' LEU . 9.3 tt -58.5 116.25 3.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.909 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -131.8 148.91 52.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 73.04 110.921 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.798 HD11 HD22 ' A' ' 62' ' ' LEU . 70.9 mt -107.15 133.05 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.23 111.08 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.21 153.58 71.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 63.11 110.91 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 122.97 9.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.697 2.264 . . . . 70.42 112.379 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -72.1 136.88 46.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.897 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.1 mm -107.14 139.53 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 52.31 111.101 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.4 t -86.76 133.26 40.02 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 70.3 111.143 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.71 157.86 59.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.27 . . . . 71.33 112.364 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.7 t -122.41 116.22 23.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 60.05 111.148 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.2 m -76.42 111.31 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 65.33 111.17 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.851 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 64.21 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.47 82.88 2.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 55.34 111.072 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.1 p -51.72 149.51 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 71.23 111.19 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -143.63 118.85 10.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.32 110.894 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -118.51 131.69 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.915 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 6' ' ' THR . 5.0 t -135.98 120.19 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 74.41 111.166 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.48 ' HA ' HG23 ' A' ' 52' ' ' THR . 5.2 t0 -93.16 43.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 63.4 110.875 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.31 167.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.077 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.82 155.41 1.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.843 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.616 ' HE2' HD21 ' A' ' 47' ' ' LEU . 41.1 p90 -146.69 164.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.885 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD22 HG12 ' A' ' 42' ' ' VAL . 13.7 mt -102.48 142.98 32.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 62.4 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -120.31 130.74 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.931 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -122.52 124.85 71.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 64.22 111.131 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.91 -131.91 1.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 64.44 112.478 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.54 26.07 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.337 . . . . 64.03 110.858 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 53.1 66.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.863 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 140.6 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.42 111.089 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.7 t -67.19 -17.12 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.829 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.7 mtt180 -100.2 14.75 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.864 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -55.77 -34.26 65.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 73.13 110.924 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -50.57 39.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 52.11 110.901 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.37 -42.72 99.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.923 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 19' ' ' ARG . 95.4 t -57.51 -45.31 85.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 63.12 111.129 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 10.5 mmt -74.87 -35.54 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.912 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.49 -24.58 67.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.871 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 23' ' ' VAL . 1.8 t -52.1 -26.65 11.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.154 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.25 121.59 45.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 73.04 110.892 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -53.77 -27.83 31.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.882 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.512 HG21 ' HA ' ' A' ' 53' ' ' PHE . 10.5 p -52.74 -36.01 56.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 63.11 111.166 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -72.5 132.57 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.14 111.126 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -109.37 -43.0 4.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.886 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -157.25 161.7 39.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 71.53 111.078 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.3 t -131.92 143.15 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 54.52 111.114 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -140.73 135.26 31.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 72.13 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 151.56 39.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 75.15 110.892 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -88.97 117.31 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.04 110.884 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -63.67 -34.31 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 63.34 110.903 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -73.72 -41.1 63.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.937 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -126.7 115.87 20.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 51.43 110.828 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -67.15 -23.51 65.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -95.53 30.73 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.855 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.562 HG12 HD22 ' A' ' 11' ' ' LEU . 59.9 t -140.95 141.23 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 52.41 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.64 135.51 34.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 64.44 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.532 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -96.44 119.08 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 74.52 110.855 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -96.9 115.65 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 64.03 111.162 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.7 m -92.92 110.28 21.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.872 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.616 HD21 ' HE2' ' A' ' 10' ' ' PHE . 55.5 mt -77.58 148.58 35.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.1 110.921 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -58.12 152.9 15.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.944 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -64.99 110.0 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 72.13 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.11 14.06 43.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 73.2 112.472 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.8 m -109.76 161.56 15.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 71.45 110.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.48 HG23 ' HA ' ' A' ' 7' ' ' ASP . 36.7 m -144.99 117.35 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.162 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 29' ' ' THR . 0.7 OUTLIER -77.4 105.27 8.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 72.53 110.887 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.1 t -106.19 131.86 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 70.22 111.112 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 ' O ' HG22 ' A' ' 3' ' ' THR . 3.5 mp -104.0 103.99 13.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.901 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -66.07 -31.2 71.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.859 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.14 -8.48 33.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 75.23 112.486 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.647 ' C ' HD23 ' A' ' 55' ' ' LEU . . . 90.59 -160.5 27.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 74.35 112.522 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 55' ' ' LEU . 26.0 mm -78.61 -23.33 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 74.01 111.113 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -61.56 -45.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -33.19 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.896 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 HD21 ' A' ' 55' ' ' LEU . 12.1 tp -66.73 -35.09 79.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 62.34 110.936 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -64.23 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.89 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.96 -36.2 83.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.15 110.943 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mt -51.74 -64.51 0.79 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 70.41 110.896 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 t -73.91 -25.59 60.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 61.11 111.188 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.75 30.21 10.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 73.22 112.489 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -135.24 114.72 12.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 75.33 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 m -69.35 -26.09 64.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 64.44 110.885 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.9 p -69.22 -16.93 63.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 60.34 111.107 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tt -54.15 111.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 54.44 110.925 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -128.25 158.92 36.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.847 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.532 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.5 mt -118.57 132.97 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 63.42 111.162 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -127.48 153.59 77.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.587 0.708 . . . . 74.24 110.953 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 106.8 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 72.32 112.316 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.7 tpt -72.67 116.08 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.932 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -89.81 131.37 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.42 111.122 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG23 ' HD2' ' A' ' 79' ' ' PRO . 7.2 p -70.74 133.21 86.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 50.15 111.154 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG23 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.72 118.16 5.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 73.01 112.353 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 m -98.07 69.83 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.54 111.154 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.6 p -96.92 70.77 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.14 111.141 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 63.23 110.832 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 mtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.771 0.319 . . . . 73.01 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.21 62.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 53.11 111.092 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.71 155.78 40.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.134 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -133.02 121.94 23.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.904 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.699 ' HG3' HG22 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -128.19 136.95 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.941 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -142.66 131.33 22.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.53 111.152 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -102.77 37.28 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 72.31 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -164.9 165.0 20.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 74.14 111.09 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -52.89 155.14 2.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 63.13 110.846 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' CD1' HG23 ' A' ' 73' ' ' ILE . 43.1 p90 -149.06 160.6 43.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.859 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD22 HG12 ' A' ' 42' ' ' VAL . 17.4 mt -102.34 140.77 36.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 51.32 110.92 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 73' ' ' ILE . 3.4 tp -118.8 136.07 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 62.3 110.886 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 42' ' ' VAL . 84.5 t -126.62 124.73 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 62.14 111.178 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.33 -123.01 1.73 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 33.04 112.519 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -122.77 23.27 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 73.25 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 59.8 52.87 5.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 74.11 110.879 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.9 p -76.59 140.16 40.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.151 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -67.64 -17.21 64.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.861 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.1 mtm-85 -92.33 14.38 16.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.861 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -59.62 -35.98 75.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.877 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -71.12 -43.21 68.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.864 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.562 ' O ' HG23 ' A' ' 26' ' ' THR . 8.4 tp10 -66.28 -45.14 81.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 72.3 110.87 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 19' ' ' ARG . 89.1 t -57.31 -44.34 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 71.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 45' ' ' VAL . 11.2 mmt -73.78 -37.3 65.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.898 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -29.55 61.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.91 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 22' ' ' GLU . 22.8 p -55.47 -23.22 24.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 71.21 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.702 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.5 m-85 -96.89 119.17 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 74.53 110.893 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.46 -15.17 60.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 71.13 110.822 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.671 HG21 ' N ' ' A' ' 53' ' ' PHE . 2.1 m -73.39 -26.21 60.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 65.03 111.142 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 45' ' ' VAL . 4.6 p -70.27 142.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 51.41 111.15 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -120.33 -39.42 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 55.23 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.23 153.44 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.13 111.107 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.13 148.21 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 64.13 111.117 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.2 mmm-85 -143.73 135.49 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.882 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 159.46 30.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.872 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.93 115.15 28.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 73.23 110.849 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.79 -33.54 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -71.65 -52.48 17.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 65.41 110.899 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -131.77 112.47 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.5 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.51 -20.87 61.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.83 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -76.64 -5.06 46.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 73.51 110.889 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 13' ' ' VAL . 21.3 t -112.23 136.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.146 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -136.03 130.71 33.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 53.34 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.02 118.77 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 73.13 110.89 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 30' ' ' VAL . 93.8 t -98.23 112.34 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 71.55 111.171 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.85 110.9 22.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 64.1 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD22 HG22 ' A' ' 29' ' ' THR . 30.4 mt -72.23 163.33 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 72.14 110.928 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -72.35 179.32 3.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -93.6 114.96 27.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.35 12.27 54.56 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.693 -0.765 . . . . 73.42 112.475 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.407 ' HB3' HG23 ' A' ' 29' ' ' THR . 41.3 m -112.72 166.52 11.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.958 0.409 . . . . 73.52 110.853 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.41 ' C ' HG21 ' A' ' 29' ' ' THR . 96.5 m -139.7 123.65 17.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 64.34 111.098 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.671 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -84.71 96.33 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.906 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.699 HG22 ' HG3' ' A' ' 5' ' ' GLN . 91.2 t -106.0 143.65 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 71.52 111.091 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 3' ' ' THR . 4.5 mp -121.46 104.3 9.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 60.24 110.916 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -62.53 -23.56 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.946 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.13 -9.13 20.8 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 44.44 112.491 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.96 -149.77 28.5 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 54.14 112.47 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.507 ' CD1' HD12 ' A' ' 73' ' ' ILE . 29.1 mm -78.69 -23.39 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 75.35 111.154 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -45.7 93.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 64.33 110.868 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -33.02 68.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.912 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.774 HD23 HD21 ' A' ' 71' ' ' LEU . 8.5 tp -66.82 -35.39 79.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 71.42 110.88 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -64.39 -40.48 95.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.875 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.4 mt -64.93 -34.42 78.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.05 110.957 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -54.98 -70.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.24 110.938 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 71' ' ' LEU . 14.6 t -68.06 -25.36 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 70.43 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.56 28.77 15.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.781 -0.723 . . . . 61.13 112.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -135.49 114.1 11.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 75.35 110.846 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 m -65.72 -25.7 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 61.53 110.886 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 m -67.28 -16.92 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 54.33 111.131 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD21 HD23 ' A' ' 62' ' ' LEU . 10.3 tt -55.27 116.07 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 72.04 110.934 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -134.19 150.05 51.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.915 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.712 HD11 ' CD2' ' A' ' 62' ' ' LEU . 69.4 mt -110.65 132.92 57.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 73.22 111.156 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -130.07 153.53 81.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 70.12 110.89 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 114.18 3.61 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 62.44 112.352 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.72 131.24 45.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 43.22 110.934 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 43.3 mm -118.23 124.06 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.128 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.43 HG13 ' HD2' ' A' ' 79' ' ' PRO . 60.5 t -87.35 133.08 39.28 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 71.15 111.15 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.43 ' HD2' HG13 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.72 74.48 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 74.45 112.353 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.3 m 47.65 83.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 53.43 111.155 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.2 m -161.32 60.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.165 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.843 -179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.784 0.326 . . . . 45.33 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.17 64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.062 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -173.84 146.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 74.41 111.109 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 55' ' ' LEU . 41.7 t80 -146.47 118.98 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.87 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.654 ' HG3' HG22 ' A' ' 54' ' ' VAL . 4.9 tm0? -123.02 138.26 54.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 64.3 110.895 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.471 HG21 ' CD2' ' A' ' 10' ' ' PHE . 10.1 t -146.38 127.8 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.14 111.163 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.95 39.78 1.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 63.55 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -175.11 169.6 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.4 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -51.78 164.28 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 53.44 110.838 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CD2' HG21 ' A' ' 6' ' ' THR . 18.5 p90 -156.23 161.08 40.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.858 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -102.52 154.34 19.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.14 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.652 HD22 ' HE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -132.36 146.54 52.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.925 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.93 124.82 63.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 72.21 111.133 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -149.79 -131.57 1.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 65.44 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -123.6 25.9 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 63.55 110.882 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 54.15 75.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 72.11 110.857 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -106.77 140.96 38.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.11 111.12 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -24.89 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 74.43 110.882 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.666 ' O ' HG23 ' A' ' 23' ' ' VAL . 32.5 mtt-85 -76.85 -10.49 59.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.869 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.652 ' HE1' HD22 ' A' ' 12' ' ' LEU . 19.7 t80 -56.37 -44.78 80.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.02 110.938 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.54 -44.52 90.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 74.13 110.896 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' HG23 ' A' ' 26' ' ' THR . 7.5 tt0 -63.43 -47.45 81.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 75.44 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 19' ' ' ARG . 90.0 t -57.46 -42.88 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 52.14 111.113 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.6 mmt -73.37 -35.77 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -33.69 72.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.902 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 22' ' ' GLU . 19.8 p -56.45 -23.71 40.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.142 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -88.36 113.4 23.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 71.35 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -53.63 -28.07 30.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 71.3 110.847 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 51' ' ' SER . 0.2 OUTLIER -66.33 -30.79 71.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.33 111.158 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 45' ' ' VAL . 84.9 t -72.9 122.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 71.01 111.156 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -97.29 -43.19 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 70.14 110.918 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -162.5 169.62 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 74.32 111.132 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.38 150.41 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 63.03 111.126 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -143.26 135.41 27.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 61.51 110.854 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 142.17 30.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 61.44 110.854 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -81.12 113.01 19.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 72.52 110.865 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -60.01 -29.88 68.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 63.13 110.826 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.82 -45.55 67.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.916 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.77 122.37 28.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 53.44 110.83 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -66.31 -22.35 66.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.825 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -95.54 32.18 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 75.43 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -141.57 132.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 72.5 111.104 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -135.27 139.51 44.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 65.15 110.939 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 20.1 ptp -109.25 118.93 38.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 HG13 ' A' ' 30' ' ' VAL . 97.1 t -93.74 127.07 46.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 74.05 111.104 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.6 t -99.42 109.42 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 55.2 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD11 ' HE2' ' A' ' 10' ' ' PHE . 84.7 mt -75.54 157.76 33.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 70.41 110.912 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -72.3 134.58 45.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.02 110.918 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.82 111.38 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.927 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.91 2.95 30.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 50.44 112.464 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 29' ' ' THR . 48.6 m -111.53 169.27 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.946 0.403 . . . . 72.21 110.869 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 ' C ' HG21 ' A' ' 29' ' ' THR . 92.5 m -141.1 115.03 9.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 65.42 111.161 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' N ' HG21 ' A' ' 29' ' ' THR . 4.6 t80 -79.44 97.49 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.858 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.654 HG22 ' HG3' ' A' ' 5' ' ' GLN . 99.5 t -105.97 143.68 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 64.24 111.166 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' A' ' 4' ' ' PHE . 54.4 mt -119.31 104.36 10.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 63.42 110.933 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -60.45 -41.83 94.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -91.17 -25.65 23.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 62.13 112.461 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.0 -153.04 18.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.678 -0.772 . . . . 74.45 112.509 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 73' ' ' ILE . 32.9 mm -78.24 -23.49 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.311 . . . . 63.34 111.098 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -61.45 -45.36 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.11 110.871 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.95 -33.65 74.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 73.4 110.873 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.662 ' CD2' HD11 ' A' ' 73' ' ' ILE . 9.6 tp -69.62 -37.49 76.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -65.67 -40.12 92.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.904 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -35.04 79.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.24 110.887 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -53.75 -68.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.884 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 71' ' ' LEU . 4.1 t -70.71 -24.05 62.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.11 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.92 43.25 5.45 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 44.32 112.485 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -149.85 114.08 5.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 71.21 110.803 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.8 m -69.01 -25.31 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 43.24 110.874 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.1 p -65.11 -23.78 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 63.14 111.148 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD21 HD23 ' A' ' 62' ' ' LEU . 10.0 tt -52.08 110.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -123.05 161.22 24.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 62' ' ' LEU . 61.6 mt -126.89 133.15 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 74.23 111.123 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -128.68 153.66 79.67 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 71.44 110.968 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 118.18 5.53 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 75.33 112.35 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 tpt -67.56 121.08 15.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.844 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt -88.75 135.64 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 64.12 111.146 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.6 t -77.03 133.28 69.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.632 0.73 . . . . 72.52 111.117 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.7 Cg_endo -69.67 174.28 9.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.712 2.275 . . . . 62.44 112.339 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 79' ' ' PRO . 10.1 t 37.33 43.51 0.38 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 73.34 111.158 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.9 m -51.9 -47.91 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.53 111.162 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.91 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.759 0.314 . . . . 75.44 110.877 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.49 37.34 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.42 111.124 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -52.92 157.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 44.31 111.155 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 55' ' ' LEU . 45.8 t80 -146.92 118.92 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 65.44 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.657 ' CG ' HG22 ' A' ' 54' ' ' VAL . 5.4 tm0? -122.72 135.96 54.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.875 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 t -137.27 122.31 19.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.094 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.553 ' HA ' HG23 ' A' ' 52' ' ' THR . 24.4 t0 -92.84 43.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.814 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -177.08 166.13 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.089 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -52.06 158.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.866 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.618 ' HE1' HD21 ' A' ' 47' ' ' LEU . 21.0 p90 -147.64 172.57 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.897 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 44' ' ' MET . 13.8 mt -106.79 157.48 17.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.946 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.705 HD11 ' HG ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -124.42 132.7 53.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 52.22 110.92 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.55 125.2 72.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.71 -138.26 2.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 75.43 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -97.87 25.93 5.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 72.13 110.889 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 41.59 42.8 2.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 64.32 110.861 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.24 149.86 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 54.44 111.129 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 m -67.31 -15.92 63.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 70.34 110.863 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 23' ' ' VAL . 56.5 mtt180 -77.7 -22.08 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 72.32 110.881 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 12' ' ' LEU . 2.5 m-85 -59.95 -44.93 94.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.922 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.09 -38.06 75.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.906 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 26' ' ' THR . 12.4 tm-20 -66.89 -47.62 71.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 72.13 110.864 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 19' ' ' ARG . 84.3 t -61.56 -39.19 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.13 111.13 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.706 ' CE ' HD21 ' A' ' 62' ' ' LEU . 11.1 mmt -73.14 -33.75 65.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.912 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.72 -33.8 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 75.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 22' ' ' GLU . 20.0 p -57.84 -22.33 47.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 71.11 111.114 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.2 117.44 21.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.85 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -53.65 -30.38 42.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 71.22 110.88 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.599 ' OG1' HD22 ' A' ' 47' ' ' LEU . 3.4 t -66.27 -29.79 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 72.13 111.177 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 45' ' ' VAL . 84.7 t -79.1 132.61 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.121 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -103.23 -45.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.91 150.33 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 74.41 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -131.43 142.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.45 111.085 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -137.96 135.41 35.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 71.34 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 158.13 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 65.21 110.929 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.37 112.89 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.847 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -53.57 -31.55 47.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 70.14 110.859 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.1 mt -71.05 -46.9 61.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 70.14 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -131.36 124.78 31.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 60.11 110.88 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -68.58 -20.64 64.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 72.04 110.81 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -94.99 29.0 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.501 HG12 HD22 ' A' ' 11' ' ' LEU . 59.6 t -141.73 132.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.01 111.14 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -129.9 128.42 42.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.22 110.879 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.706 ' HA ' HD23 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -91.47 118.68 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 75.51 110.861 179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG13 HG13 ' A' ' 30' ' ' VAL . 84.6 t -100.0 113.73 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.4 111.179 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.1 m -93.25 112.87 24.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 75.5 110.855 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.618 HD21 ' HE1' ' A' ' 10' ' ' PHE . 53.4 mt -77.62 173.35 12.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.35 110.942 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -88.89 179.3 6.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 70.52 110.912 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -91.96 114.13 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.925 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.12 -18.9 38.71 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 43.32 112.508 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.7 m -91.26 164.08 14.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.957 0.408 . . . . 42.42 110.882 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' HA ' ' A' ' 7' ' ' ASP . 26.8 m -145.17 132.65 20.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 73.52 111.114 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -88.06 96.75 10.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 63.35 110.848 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG22 ' CG ' ' A' ' 5' ' ' GLN . 86.5 t -106.0 142.99 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.13 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.58 ' O ' HG22 ' A' ' 3' ' ' THR . 44.1 mt -114.27 104.38 12.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.04 110.904 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -63.8 -26.39 68.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 53.14 110.87 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -117.73 22.99 9.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 25.25 112.524 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.444 ' O ' HD13 ' A' ' 55' ' ' LEU . . . 68.79 -155.51 53.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.755 . . . . 43.02 112.514 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.566 HD13 ' CD1' ' A' ' 55' ' ' LEU . 36.2 mm -78.76 -23.18 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 51.34 111.152 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -61.28 -45.46 94.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 64.31 110.896 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -32.9 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.896 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.005 HD23 HD21 ' A' ' 71' ' ' LEU . 13.0 tp -71.01 -42.92 68.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 74.03 110.961 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -62.26 -40.2 95.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.932 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.8 mt -63.47 -35.18 79.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 70.23 110.908 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.69 -71.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.602 ' CB ' HG21 ' A' ' 23' ' ' VAL . 14.7 t -61.94 -26.73 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 73.03 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.77 21.06 32.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 53.14 112.463 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.504 ' H ' HG23 ' A' ' 66' ' ' THR . 3.5 t0 -126.1 121.27 32.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 52.44 110.893 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -80.28 -2.23 44.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.846 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.1 p -88.07 -22.9 23.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 70.01 111.107 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.005 HD21 HD23 ' A' ' 62' ' ' LEU . 3.4 tt -52.69 121.42 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 70.41 110.931 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -136.07 151.87 50.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.902 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.561 HD12 ' CD1' ' A' ' 59' ' ' ILE . 61.9 mt -110.71 132.17 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.135 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -129.63 153.6 80.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 73.33 110.924 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 98.46 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 73.14 112.393 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -65.82 128.08 34.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.865 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm -116.02 136.7 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 75.43 111.134 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 79' ' ' PRO . 58.3 t -88.63 133.35 36.29 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 65.44 111.069 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.445 ' HD2' HG13 ' A' ' 78' ' ' VAL . 53.4 Cg_endo -69.8 107.76 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.716 2.277 . . . . 71.54 112.337 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -60.23 163.23 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 75.12 111.17 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -116.14 77.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 70.31 111.131 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.847 -179.986 . . . . . . . . 0 0 . 1 stop_ save_