data_1je4_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 1je4 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.721 0.296 . . . . 10.73 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.71 -62.29 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 11.859999999999999 112.334 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.13 131.18 45.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 9.5700000000000003 110.92 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.65 -170.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.671 -0.776 . . . . 6.1600000000000001 112.46 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -68.17 -53.43 25.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 6.6500000000000004 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -147.62 58.19 3.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 6.1900000000000004 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.19 110.37 2.62 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.615 2.21 . . . . 5.5899999999999999 112.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.73 156.69 56.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.459 2.106 . . . . 3.2799999999999998 112.364 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -100.49 -54.31 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 4.3200000000000003 110.842 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.58 32.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 2.9300000000000002 111.072 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 m -91.19 -169.55 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 2.4100000000000001 110.901 -179.943 -44.532 -160.889 104.114 103.793 2.03 103.801 121.825 -78.952 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.62 146.5 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 2.2200000000000002 110.861 -179.995 -142.479 145.042 101.546 103.747 2.031 103.775 164.504 -76.63 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.04 -31.31 13.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 3.2400000000000002 111.014 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -147.13 147.29 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 3.02 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.401 ' CE2' ' OD1' ' A' ' 53' ' ' ASP . 12.5 m-85 -99.72 -170.38 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 2.8799999999999999 110.806 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -101.16 128.03 47.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 2.3599999999999999 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.14 37.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 2.3300000000000001 111.14 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -149.99 -178.38 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 5.1600000000000001 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -108.64 143.19 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 2.9199999999999999 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -137.84 101.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 2.6600000000000001 110.855 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.53 145.39 16.79 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.52 2.146 . . . . 1.8500000000000001 112.42 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -58.86 -34.23 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 3.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.48 -26.5 67.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 2.3399999999999999 111.03 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.26 30.74 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 2.98 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.44 142.16 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 1.3300000000000001 111.126 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.03 -64.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 1.9299999999999999 111.032 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.18 -179.88 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 2.3900000000000001 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.417 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 40.0 p90 -123.12 175.32 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 2.4700000000000002 110.891 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.73 143.37 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 3.2799999999999998 110.913 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -104.52 160.64 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.72 110.901 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 66.2 p -91.93 159.48 15.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 2.2400000000000002 110.952 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.5 t -60.33 -170.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 2.8599999999999999 110.894 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -116.18 31.05 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 2.6400000000000001 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.6 mt -105.39 -31.28 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 3.25 110.906 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -82.9 146.16 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 2.8199999999999998 110.89 179.946 -78.952 121.825 104.114 103.801 2.03 103.793 -160.889 -44.532 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.59 24.16 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 3.7200000000000002 111.434 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.93 86.19 5.37 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 3.0299999999999998 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.35 157.51 6.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 1.78 112.285 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.32 132.24 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 1.8999999999999999 111.143 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.5 t -94.07 116.3 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 1.46 110.964 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -90.01 155.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 1.73 111.042 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 28' ' ' TYR . 9.3 m-85 -142.78 96.08 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 2.46 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.84 122.45 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 2.79 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.91 161.13 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.53 110.85 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -59.65 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 2.8999999999999999 110.987 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.98 -35.66 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 4.3899999999999997 110.941 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 165.14 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 2.1299999999999999 110.934 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -164.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 3.8599999999999999 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.18 148.51 21.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 2.5600000000000001 111.068 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.8 t -127.52 109.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 1.6699999999999999 110.898 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 m -83.16 140.62 32.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 1.51 110.959 179.953 -76.63 164.504 101.546 103.775 2.031 103.747 145.042 -142.479 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.83 135.47 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 1.22 111.089 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' OD1' ' CE2' ' A' ' 15' ' ' TYR . 78.6 m-20 -57.79 109.08 1.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 1.8300000000000001 110.986 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.83 -22.67 46.52 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 1.1799999999999999 112.39 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.8 m -59.88 -36.75 77.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.42 . . . . 2.3199999999999998 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.26 164.11 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 1.8500000000000001 110.79 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.0 m -90.26 -40.71 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 2.7799999999999998 111.594 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' CD1' HG22 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -51.05 -28.41 10.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.509 -0.314 . . . . 1.5700000000000001 111.386 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 58' ' ' TRP . 39.7 t -64.09 -55.78 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 1.4399999999999999 111.072 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -60.18 -30.83 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 2.7200000000000002 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.21 -53.77 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 2.2799999999999998 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.09 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 2.5299999999999998 110.946 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.18 -31.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.6499999999999999 111.066 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -86.25 -36.84 19.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 3.2799999999999998 110.876 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -33.22 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.1099999999999999 110.923 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.0 mt -60.28 -41.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.8200000000000001 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -71.93 -31.54 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 2.6200000000000001 110.932 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -79.15 144.18 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 3.0800000000000001 110.889 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.199 -0.905 . . . . 4.8700000000000001 110.918 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.721 0.296 . . . . 10.48 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 52.2 Cg_exo -52.71 -62.29 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 11.09 112.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.13 131.18 45.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 9.3200000000000003 110.92 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.65 -170.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.671 -0.776 . . . . 6.0300000000000002 112.46 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -68.17 -53.43 25.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 6.2999999999999998 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -147.62 58.19 3.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 6.1900000000000004 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.19 110.37 2.62 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.615 2.21 . . . . 4.9400000000000004 112.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.73 156.69 56.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.459 2.106 . . . . 2.96 112.364 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.534 HG21 HD12 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -100.49 -54.31 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 3.8599999999999999 110.842 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 32' ' ' SER . . . -165.58 32.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 2.6200000000000001 111.072 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 m -91.19 -169.55 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 2.4100000000000001 110.901 -179.943 -44.532 -160.889 104.114 103.793 2.03 103.801 121.825 -78.952 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.62 146.5 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 2.2200000000000002 110.861 -179.995 -142.479 145.042 101.546 103.747 2.031 103.775 164.504 -76.63 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.04 -31.31 13.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 2.8199999999999998 111.014 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -147.13 147.29 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 2.73 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.401 ' CE2' ' OD1' ' A' ' 53' ' ' ASP . 12.5 m-85 -99.72 -170.38 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 2.1400000000000001 110.806 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -101.16 128.03 47.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 2.04 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.14 37.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.97 111.14 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -149.99 -178.38 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 4.54 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -108.64 143.19 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 2.46 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 20' ' ' LEU . 10.5 mt -137.84 101.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 2.1099999999999999 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 Cg_exo -49.53 145.39 16.79 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.52 2.146 . . . . 1.72 112.42 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -58.86 -34.23 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 2.3999999999999999 110.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.48 -26.5 67.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 2.27 111.03 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.26 30.74 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 2.2400000000000002 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 21' ' ' PRO . 21.5 t -137.44 142.16 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.96999999999999997 111.126 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.03 -64.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 1.55 111.032 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.18 -179.88 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 2.3900000000000001 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 40.0 p90 -123.12 175.32 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 1.78 110.891 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.73 143.37 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 2.8799999999999999 110.913 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -104.52 160.64 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.72 110.901 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 39' ' ' ALA . 66.2 p -91.93 159.48 15.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.96 110.952 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.466 ' H ' ' HB3' ' A' ' 10' ' ' ALA . 18.5 t -60.33 -170.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 2.5800000000000001 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -116.18 31.05 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 2.54 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 9' ' ' THR . 11.6 mt -105.39 -31.28 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 2.9399999999999999 110.906 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -82.9 146.16 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 2.8199999999999998 110.89 179.946 -78.952 121.825 104.114 103.801 2.03 103.793 -160.889 -44.532 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.59 24.16 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 3.46 111.434 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.93 86.19 5.37 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 2.6699999999999999 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.35 157.51 6.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 1.6299999999999999 112.285 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 31' ' ' THR . . . -157.32 132.24 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 1.4099999999999999 111.143 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' HG3' ' A' ' 54' ' ' PRO . 47.5 t -94.07 116.3 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.97999999999999998 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 42' ' ' PHE . 44.5 t -90.01 155.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 1.3500000000000001 111.042 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 41' ' ' VAL . 9.3 m-85 -142.78 96.08 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 1.54 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.84 122.45 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 2.4199999999999999 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.91 161.13 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.4099999999999999 110.85 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -59.65 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 2.4900000000000002 110.987 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.98 -35.66 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 3.8399999999999999 110.941 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 165.14 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.96 110.934 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -164.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 3.46 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.18 148.51 21.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 2.4500000000000002 111.068 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 20' ' ' LEU . 61.8 t -127.52 109.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 1.23 110.898 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 m -83.16 140.62 32.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 1.51 110.959 179.953 -76.63 164.504 101.546 103.775 2.031 103.747 145.042 -142.479 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.83 135.47 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.98999999999999999 111.089 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' OD1' ' CE2' ' A' ' 15' ' ' TYR . 78.6 m-20 -57.79 109.08 1.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 1.8300000000000001 110.986 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.643 ' HG3' HG23 ' A' ' 40' ' ' VAL . 42.5 Cg_exo -56.83 -22.67 46.52 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 1.1100000000000001 112.39 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.8 m -59.88 -36.75 77.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.42 . . . . 1.9099999999999999 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.26 164.11 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 1.8500000000000001 110.79 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.0 m -90.26 -40.71 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 2.4199999999999999 111.594 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -51.05 -28.41 10.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.509 -0.314 . . . . 1.4199999999999999 111.386 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.7 t -64.09 -55.78 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 1.01 111.072 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -60.18 -30.83 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 2.3399999999999999 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.21 -53.77 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 2.2799999999999998 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.09 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 1.74 110.946 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 59' ' ' VAL . 30.3 t -60.18 -31.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.3799999999999999 111.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -86.25 -36.84 19.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 2.73 110.876 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -33.22 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.1099999999999999 110.923 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.0 mt -60.28 -41.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.8200000000000001 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -71.93 -31.54 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 2.6200000000000001 110.932 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -79.15 144.18 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 2.6899999999999999 110.889 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.199 -0.905 . . . . 4.4699999999999998 110.918 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.721 0.296 . . . . 10.48 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 52.2 Cg_exo -52.71 -62.29 0.37 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.532 2.155 . . . . 11.09 112.334 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.13 131.18 45.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 9.32 110.92 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.65 -170.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.671 -0.776 . . . . 6.03 112.46 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -68.17 -53.43 25.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 6.3 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -147.62 58.19 3.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 6.19 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.19 110.37 2.62 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.615 2.21 . . . . 4.94 112.269 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.73 156.69 56.85 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.459 2.106 . . . . 2.96 112.364 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.534 HG21 HD12 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -100.49 -54.31 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 3.86 110.842 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 32' ' ' SER . . . -165.58 32.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 2.62 111.072 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 m -91.19 -169.55 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 2.41 110.901 -179.943 -44.532 -160.889 104.114 103.793 2.03 103.801 121.825 -78.952 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.62 146.5 39.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 2.22 110.861 -179.995 -142.479 145.042 101.546 103.747 2.031 103.775 164.504 -76.63 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.04 -31.31 13.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 2.82 111.014 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -147.13 147.29 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 2.73 110.892 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.401 ' CE2' ' OD1' ' A' ' 53' ' ' ASP . 12.5 m-85 -99.72 -170.38 1.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 2.14 110.806 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -101.16 128.03 47.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 2.04 110.871 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.14 37.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.97 111.14 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -149.99 -178.38 6.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 4.54 110.895 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -108.64 143.19 38.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 2.46 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 20' ' ' LEU . 10.5 mt -137.84 101.45 8.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 2.11 110.855 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.6 Cg_exo -49.53 145.39 16.79 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.52 2.146 . . . . 1.72 112.42 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -58.86 -34.23 71.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 2.4 110.983 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -61.48 -26.5 67.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 2.27 111.03 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.26 30.74 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.361 -0.381 . . . . 2.24 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 21' ' ' PRO . 21.5 t -137.44 142.16 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 0.97 111.126 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.9 t -90.03 -64.25 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 1.55 111.032 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.18 -179.88 6.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 2.39 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HB3' ' CE1' ' A' ' 42' ' ' PHE . 40.0 p90 -123.12 175.32 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 1.78 110.891 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -153.73 143.37 21.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 2.88 110.913 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -104.52 160.64 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 1.72 110.901 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 39' ' ' ALA . 66.2 p -91.93 159.48 15.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.96 110.952 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.466 ' H ' ' HB3' ' A' ' 10' ' ' ALA . 18.5 t -60.33 -170.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 2.58 110.894 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.3 p -116.18 31.05 6.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 2.54 110.93 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 9' ' ' THR . 11.6 mt -105.39 -31.28 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 2.94 110.906 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 28.7 m -82.9 146.16 29.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 2.82 110.89 179.946 -78.952 121.825 104.114 103.801 2.03 103.793 -160.889 -44.532 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.59 24.16 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 3.46 111.434 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -149.93 86.19 5.37 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 2.67 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.35 157.51 6.66 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.583 2.188 . . . . 1.63 112.285 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 31' ' ' THR . . . -157.32 132.24 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 1.41 111.143 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.643 HG23 ' HG3' ' A' ' 54' ' ' PRO . 47.5 t -94.07 116.3 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.98 110.964 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 42' ' ' PHE . 44.5 t -90.01 155.82 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 1.35 111.042 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' N ' HG12 ' A' ' 41' ' ' VAL . 9.3 m-85 -142.78 96.08 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 1.54 110.89 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -64.84 122.45 16.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 2.42 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.91 161.13 16.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 1.41 110.85 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -59.65 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 2.49 110.987 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.98 -35.66 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 3.84 110.941 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 m -82.09 165.14 20.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.96 110.934 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -164.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 3.46 110.856 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.18 148.51 21.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.298 -0.41 . . . . 2.45 111.068 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG11 HD12 ' A' ' 20' ' ' LEU . 61.8 t -127.52 109.17 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 1.23 110.898 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 48.5 m -83.16 140.62 32.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 1.51 110.959 179.953 -76.63 164.504 101.546 103.775 2.031 103.747 145.042 -142.479 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -141.83 135.47 29.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.99 111.089 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' OD1' ' CE2' ' A' ' 15' ' ' TYR . 78.6 m-20 -57.79 109.08 1.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 1.83 110.986 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.643 ' HG3' HG23 ' A' ' 40' ' ' VAL . 42.5 Cg_exo -56.83 -22.67 46.52 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.443 2.095 . . . . 1.11 112.39 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.8 m -59.88 -36.75 77.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.275 -0.42 . . . . 1.91 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -60.26 164.11 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.428 . . . . 1.85 110.79 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.0 m -90.26 -40.71 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 2.42 111.594 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.457 ' CD1' HG23 ' A' ' 59' ' ' VAL . 0.8 OUTLIER -51.05 -28.41 10.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.509 -0.314 . . . . 1.42 111.386 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.833 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.7 t -64.09 -55.78 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.404 -0.362 . . . . 1.01 111.072 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -60.18 -30.83 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 2.34 110.877 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.21 -53.77 53.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 2.28 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -64.09 -38.17 90.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 1.74 110.946 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 59' ' ' VAL . 30.3 t -60.18 -31.01 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.38 111.066 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -86.25 -36.84 19.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 2.73 110.876 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -33.22 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 2.11 110.923 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.0 mt -60.28 -41.47 93.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.82 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -71.93 -31.54 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 2.62 110.932 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.8 mt -79.15 144.18 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 2.69 110.889 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.199 -0.905 . . . . 4.47 110.918 179.969 . . . . . . . . 0 0 . 1 stop_ save_