data_2bvb_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 2bvb _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 full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.829 0.347 . . . . 2.8199999999999998 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -101.07 121.54 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 1.97 111.216 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.55 129.33 34.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.824 -0.626 . . . . 2.6099999999999999 110.313 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.1 mt -125.21 121.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 4.3399999999999999 111.518 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -84.71 21.73 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 3.1800000000000002 110.994 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.69 -75.8 1.3 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.778 . . . . 2.1800000000000002 112.526 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -168.04 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 2.5600000000000001 110.712 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.4 t -122.42 147.02 46.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.898 -0.592 . . . . 1.6699999999999999 110.735 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -137.6 112.08 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.8799999999999999 110.8 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -106.7 151.08 25.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 2.6200000000000001 111.074 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.18 121.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 1.3400000000000001 111.396 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -63.21 140.5 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 2.0499999999999998 109.925 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.52 150.59 29.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 2.2200000000000002 111.189 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -124.94 149.81 47.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.786 -0.643 . . . . 1.96 109.961 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.69 139.71 0.4 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.259 0.466 . . . . 1.8500000000000001 112.259 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.29 51.89 40.21 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.92 -0.657 . . . . 0.85999999999999999 112.039 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.92 -178.54 3.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.153 0.502 . . . . 3.6499999999999999 111.908 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -152.46 118.97 5.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.45 -0.795 . . . . 1.9299999999999999 109.995 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.7 mt -104.18 99.92 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.386 . . . . 1.46 111.872 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -102.22 94.54 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 1.1599999999999999 110.146 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 tp -105.9 109.01 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.572 . . . . 1.1499999999999999 111.711 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.9 m -101.3 100.77 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 1.3 109.819 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -122.96 157.53 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.60999999999999999 112.004 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.01 79.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.667 -0.697 . . . . 2.4399999999999999 109.891 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -155.66 170.35 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 1.3799999999999999 110.893 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -110.5 13.52 22.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 2.1099999999999999 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 140.31 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 3.3199999999999998 110.242 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.7 101.44 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 2.1699999999999999 111.279 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.74 98.44 8.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 1.72 110.116 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.81 142.77 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.104 0.478 . . . . 1.27 111.923 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.24 81.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 1.4199999999999999 110.04 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.97 97.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.903 -0.589 . . . . 2.0699999999999998 111.833 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.2 -125.53 28.26 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.878 -0.601 . . . . 1.6699999999999999 113.517 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -134.63 -1.77 2.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.255 . . . . 2.02 111.472 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.4 p -110.17 11.6 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 1.8 110.939 -179.715 68.954 -148.646 178.112 103.791 2.028 103.778 72.101 -59.199 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 152.08 29.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.001 0.429 . . . . 4.4400000000000004 111.692 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -140.27 134.9 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 1.9299999999999999 110.201 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -153.17 115.22 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 1.5 111.136 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.4 111.42 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 1.9099999999999999 110.604 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.09 91.19 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 1.21 111.191 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -99.48 91.32 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.99 110.942 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.71 -14.72 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 1.3200000000000001 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.17 -44.08 87.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.861 -0.609 . . . . 1.52 110.248 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.7 -35.22 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 2.3100000000000001 110.616 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.21 50.38 0.72 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.842 -0.694 . . . . 0.65000000000000002 113.066 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -161.9 146.51 12.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.78000000000000003 111.208 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -121.8 98.16 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 1.8100000000000001 110.15 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -79.47 119.56 22.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.832 -0.622 . . . . 2.54 110.592 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -136.92 140.34 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.976 0.417 . . . . 1.04 111.469 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.85 84.91 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 2.4199999999999999 110.2 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 p -98.43 -74.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.73 111.166 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.21 27.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.144 -0.782 . . . . 1.48 111.144 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -70.95 10.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.512 -0.344 . . . . 2.7400000000000002 111.699 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.5 138.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.079 0.466 . . . . 4.4400000000000004 111.657 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.7 m 66.38 -79.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.425 -0.807 . . . . 3.9700000000000002 112.255 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.98 -164.39 1.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.8899999999999999 112.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.37 178.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.211 -0.904 . . . . 1.48 111.688 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -139.65 120.75 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 1.6699999999999999 110.293 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -86.32 121.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 2.3100000000000001 111.691 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.15 112.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.8700000000000001 110.528 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -53.46 137.77 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 2.52 111.236 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.0 t -124.1 162.06 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 2.1499999999999999 110.835 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.52 172.53 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 3.04 110.913 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.45 93.82 6.31 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 2.5800000000000001 110.441 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.54 168.44 5.27 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.321 2.014 . . . . 0.85999999999999999 112.301 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.96 74.64 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 1.22 110.966 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.48 -106.27 3.34 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.788 -0.72 . . . . 0.70999999999999996 112.972 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.48 147.93 65.94 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.58 2.186 . . . . 0.71999999999999997 112.859 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.58 115.86 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 1.0600000000000001 110.803 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -100.27 118.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 1.27 111.14 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -114.75 107.52 15.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 1.6100000000000001 110.446 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.2 m -116.09 105.37 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 1.27 111.645 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.6 mt -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 1.49 110.808 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.79 120.66 6.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.55000000000000004 113.148 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.18 150.63 20.31 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.08 -0.341 . . . . 1.8400000000000001 110.08 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.13 39.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.221 -0.99 . . . . 1.3700000000000001 113.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.14 -169.35 0.19 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 3.21 110.933 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -53.04 -39.17 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 3.27 111.156 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.29 5.65 0.11 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 1.0600000000000001 112.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -61.87 128.48 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 4.3600000000000003 110.881 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.1 151.96 50.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 1.77 111.371 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.35 81.1 1.99 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.639 -0.709 . . . . 1.1000000000000001 109.782 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.9 t -74.75 95.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.873 -0.603 . . . . 1.25 112.041 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -110.11 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 1.29 109.587 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -114.02 127.03 55.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 2.0 112.163 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -119.4 121.04 38.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.332 -0.849 . . . . 1.6299999999999999 109.591 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -144.85 167.58 22.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.93000000000000005 111.918 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 m -85.95 138.98 31.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 1.3100000000000001 109.604 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -108.34 166.78 10.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.991 0.424 . . . . 2.1099999999999999 111.827 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.06 -12.83 61.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.694 -0.685 . . . . 1.7 110.069 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.06 11.11 6.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 2.96 110.415 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.35 24.86 14.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.912 -0.586 . . . . 2.5800000000000001 111.307 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.58 162.52 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.8999999999999999 111.202 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.32 136.08 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.517 . . . . 2.54 110.712 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.03 106.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.927 -0.654 . . . . 0.93999999999999995 112.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -110.22 98.68 7.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 1.9299999999999999 111.107 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.46 150.29 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 1.71 110.479 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.69 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.997 0.427 . . . . 1.24 111.816 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -140.29 128.25 22.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.74 -0.664 . . . . 4.2699999999999996 110.515 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.01 101.97 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 2.0600000000000001 111.24 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.4 t -128.5 113.78 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 1.3100000000000001 110.693 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -55.46 13.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 2.3700000000000001 111.284 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.24 90.44 8.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 2.7200000000000002 110.91 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.9 m -113.02 -81.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 2.5600000000000001 111.153 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.73 -128.32 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.318 -0.944 . . . . 2.9300000000000002 113.231 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.04 -158.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 2.3399999999999999 111.354 -179.262 -59.199 72.101 178.112 103.778 2.028 103.791 -148.646 68.954 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 p -172.12 -70.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.047 -0.524 . . . . 3.29 111.515 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.4 m -46.13 -56.27 5.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 1.97 111.814 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 m -125.42 110.34 13.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.452 -0.34 . . . . 2.02 110.197 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.99 105.38 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 3.0899999999999999 111.521 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -83.59 97.56 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.054 0.454 . . . . 2.0099999999999998 111.165 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.5 t -79.83 135.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.827 -0.624 . . . . 1.8700000000000001 110.926 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.5 m -112.86 123.85 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 1.3799999999999999 111.088 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -113.55 104.98 12.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.52000000000000002 110.824 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.99 139.76 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 2.5800000000000001 110.875 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 -2.03 33.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 1.1200000000000001 112.428 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.22 -13.63 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 2.1000000000000001 110.97 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 61.45 -164.19 20.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.953 -0.641 . . . . 2.2599999999999998 112.666 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.2 t -102.31 91.86 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 2.2999999999999998 110.819 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 159.39 -3.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 1.9399999999999999 112.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.55 148.03 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 1.3100000000000001 110.828 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.2 p -113.23 143.35 44.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.439 . . . . 1.4399999999999999 111.174 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.71 99.44 7.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 2.25 110.694 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.58 102.6 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 1.4299999999999999 110.742 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.2 p -116.12 100.78 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 2.29 110.841 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.7 p -134.58 140.76 46.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 2.0600000000000001 111.638 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 88.3 m -84.73 81.69 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 1.3700000000000001 110.762 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp 59.75 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.892 -0.595 . . . . 2.79 111.501 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -112.8 -34.44 1.86 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.65 -0.786 . . . . 2.1499999999999999 113.171 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -88.98 166.09 14.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 3.1200000000000001 111.529 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.4 m -108.71 112.34 60.55 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 2.3500000000000001 111.326 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.09 83.61 2.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.517 2.144 . . . . 2.1899999999999999 112.038 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.0 m -63.71 87.6 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.249 -0.432 . . . . 4.5599999999999996 110.456 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.2 -4.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.721 -0.672 . . . . 3.6299999999999999 110.76 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 30.4 37.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.53 0.681 . . . . 6.1200000000000001 111.665 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.5 p -168.33 -18.35 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.061 -0.972 . . . . 8.3699999999999992 108.414 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-N 114.67 -1.15 . . . . 10.92 109.982 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.829 0.347 . . . . 2.3100000000000001 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -101.07 121.54 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 1.5 111.216 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.55 129.33 34.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.824 -0.626 . . . . 2.6099999999999999 110.313 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.1 mt -125.21 121.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 3.6699999999999999 111.518 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -84.71 21.73 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 2.5099999999999998 110.994 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.69 -75.8 1.3 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.778 . . . . 2.1800000000000002 112.526 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -168.04 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 2.5600000000000001 110.712 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.4 t -122.42 147.02 46.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.898 -0.592 . . . . 1.1399999999999999 110.735 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -137.6 112.08 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.6399999999999999 110.8 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -106.7 151.08 25.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 2.1200000000000001 111.074 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.18 121.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.52000000000000002 111.396 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' A' ' 111' ' ' GLU . 85.1 m -63.21 140.5 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 1.53 109.925 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.52 150.59 29.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 1.6499999999999999 111.189 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -124.94 149.81 47.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.786 -0.643 . . . . 1.9299999999999999 109.961 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.69 139.71 0.4 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.259 0.466 . . . . 1.5900000000000001 112.259 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.29 51.89 40.21 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.92 -0.657 . . . . 0.69999999999999996 112.039 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -111.92 -178.54 3.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.153 0.502 . . . . 2.8700000000000001 111.908 -179.231 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -152.46 118.97 5.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.45 -0.795 . . . . 1.7 109.995 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.7 mt -104.18 99.92 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.386 . . . . 0.87 111.872 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -102.22 94.54 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.45000000000000001 110.146 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 tp -105.9 109.01 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.572 . . . . 0.41999999999999998 111.711 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.9 m -101.3 100.77 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.60999999999999999 109.819 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -122.96 157.53 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.54000000000000004 112.004 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.01 79.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.667 -0.697 . . . . 1.8400000000000001 109.891 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -155.66 170.35 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 1.03 110.893 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -110.5 13.52 22.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 1.4199999999999999 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 140.31 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 2.8199999999999998 110.242 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.7 101.44 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 1.54 111.279 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.74 98.44 8.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 1.72 110.116 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.81 142.77 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.104 0.478 . . . . 0.73999999999999999 111.923 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.24 81.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.87 110.04 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.97 97.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.903 -0.589 . . . . 1.4399999999999999 111.833 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.2 -125.53 28.26 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.878 -0.601 . . . . 1.6699999999999999 113.517 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -134.63 -1.77 2.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.255 . . . . 1.6299999999999999 111.472 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.4 p -110.17 11.6 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 1.8 110.939 -179.715 68.954 -148.646 178.112 103.791 2.028 103.778 72.101 -59.199 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 152.08 29.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.001 0.429 . . . . 3.5899999999999999 111.692 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -140.27 134.9 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 1.7 110.201 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -153.17 115.22 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.93000000000000005 111.136 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.4 111.42 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 1.1299999999999999 110.604 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.09 91.19 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.34000000000000002 111.191 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -99.48 91.32 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.6000000000000001 110.942 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.71 -14.72 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.94999999999999996 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.17 -44.08 87.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.861 -0.609 . . . . 0.81000000000000005 110.248 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.7 -35.22 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 2.3100000000000001 110.616 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.21 50.38 0.72 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.842 -0.694 . . . . 0.53000000000000003 113.066 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 27.2 p90 -161.9 146.51 12.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.69999999999999996 111.208 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -121.8 98.16 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.93999999999999995 110.15 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -79.47 119.56 22.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.832 -0.622 . . . . 2.1699999999999999 110.592 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -136.92 140.34 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.976 0.417 . . . . 0.91000000000000003 111.469 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.85 84.91 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 2.0099999999999998 110.2 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 p -98.43 -74.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.3500000000000001 111.166 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.21 27.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.144 -0.782 . . . . 1.48 111.144 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -70.95 10.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.512 -0.344 . . . . 2.5800000000000001 111.699 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.5 138.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.079 0.466 . . . . 4.0599999999999996 111.657 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.7 m 66.38 -79.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.425 -0.807 . . . . 3.6299999999999999 112.255 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.98 -164.39 1.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.6000000000000001 112.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.37 178.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.211 -0.904 . . . . 1.3100000000000001 111.688 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -139.65 120.75 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 1.6699999999999999 110.293 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -86.32 121.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 1.6399999999999999 111.691 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.15 112.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.3400000000000001 110.528 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . 7.8 pt-20 -53.46 137.77 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 2.52 111.236 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.0 t -124.1 162.06 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 1.6200000000000001 110.835 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.52 172.53 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 3.04 110.913 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.45 93.82 6.31 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 2.5800000000000001 110.441 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.54 168.44 5.27 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.321 2.014 . . . . 0.68000000000000005 112.301 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.96 74.64 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.63 110.966 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.48 -106.27 3.34 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.788 -0.72 . . . . 0.53000000000000003 112.972 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.48 147.93 65.94 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.58 2.186 . . . . 0.42999999999999999 112.859 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.58 115.86 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 0.32000000000000001 110.803 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -100.27 118.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.46999999999999997 111.14 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -114.75 107.52 15.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.93000000000000005 110.446 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.2 m -116.09 105.37 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.47999999999999998 111.645 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.6 mt -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.71999999999999997 110.808 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.79 120.66 6.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.48999999999999999 113.148 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.18 150.63 20.31 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.08 -0.341 . . . . 1.22 110.08 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.13 39.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.221 -0.99 . . . . 1.3700000000000001 113.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.14 -169.35 0.19 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 2.5299999999999998 110.933 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -53.04 -39.17 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 2.77 111.156 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.29 5.65 0.11 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.88 112.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -61.87 128.48 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 3.8199999999999998 110.881 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.1 151.96 50.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 1.0800000000000001 111.371 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.35 81.1 1.99 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.639 -0.709 . . . . 0.45000000000000001 109.782 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.9 t -74.75 95.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.873 -0.603 . . . . 0.63 112.041 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -110.11 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.69999999999999996 109.587 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -114.02 127.03 55.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 1.26 112.163 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -119.4 121.04 38.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.332 -0.849 . . . . 1.6299999999999999 109.591 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -144.85 167.58 22.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.48999999999999999 111.918 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 m -85.95 138.98 31.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.71999999999999997 109.604 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -108.34 166.78 10.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.991 0.424 . . . . 1.76 111.827 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.06 -12.83 61.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.069 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.06 11.11 6.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 2.54 110.415 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.35 24.86 14.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.912 -0.586 . . . . 2.1699999999999999 111.307 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.58 162.52 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.5700000000000001 111.202 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.32 136.08 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.517 . . . . 1.8999999999999999 110.712 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.03 106.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.927 -0.654 . . . . 0.93999999999999995 112.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -110.22 98.68 7.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 1.6299999999999999 111.107 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.46 150.29 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 1.1200000000000001 110.479 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.69 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.997 0.427 . . . . 0.78000000000000003 111.816 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -140.29 128.25 22.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.74 -0.664 . . . . 4.1399999999999997 110.515 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.01 101.97 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 1.3999999999999999 111.24 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.4 t -128.5 113.78 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.67000000000000004 110.693 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -55.46 13.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 2.3700000000000001 111.284 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.24 90.44 8.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 2.7200000000000002 110.91 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.9 m -113.02 -81.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 1.9099999999999999 111.153 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.73 -128.32 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.318 -0.944 . . . . 2.1400000000000001 113.231 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.04 -158.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 2.3399999999999999 111.354 -179.262 -59.199 72.101 178.112 103.778 2.028 103.791 -148.646 68.954 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 p -172.12 -70.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.047 -0.524 . . . . 3.29 111.515 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.4 m -46.13 -56.27 5.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 1.26 111.814 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 m -125.42 110.34 13.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.452 -0.34 . . . . 1.5 110.197 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.99 105.38 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 3.0899999999999999 111.521 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.673 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 12.1 pt-20 -83.59 97.56 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.054 0.454 . . . . 2.0099999999999998 111.165 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.5 t -79.83 135.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.827 -0.624 . . . . 1.02 110.926 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.5 m -112.86 123.85 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.96999999999999997 111.088 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -113.55 104.98 12.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.51000000000000001 110.824 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.99 139.76 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 2.04 110.875 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 -2.03 33.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 1.1200000000000001 112.428 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.22 -13.63 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 1.6499999999999999 110.97 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 61.45 -164.19 20.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.953 -0.641 . . . . 1.8200000000000001 112.666 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.2 t -102.31 91.86 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 1.95 110.819 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 159.39 -3.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 1.8899999999999999 112.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.55 148.03 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.73999999999999999 110.828 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.2 p -113.23 143.35 44.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.439 . . . . 0.75 111.174 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.71 99.44 7.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 1.6000000000000001 110.694 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.58 102.6 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.59999999999999998 110.742 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.2 p -116.12 100.78 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 1.6899999999999999 110.841 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.7 p -134.58 140.76 46.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 1.52 111.638 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 88.3 m -84.73 81.69 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 1.3700000000000001 110.762 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp 59.75 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.892 -0.595 . . . . 2.27 111.501 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -112.8 -34.44 1.86 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.65 -0.786 . . . . 2.1499999999999999 113.171 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -88.98 166.09 14.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 3.1200000000000001 111.529 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.4 m -108.71 112.34 60.55 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 2.2200000000000002 111.326 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.09 83.61 2.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.517 2.144 . . . . 2.1899999999999999 112.038 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.0 m -63.71 87.6 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.249 -0.432 . . . . 3.9300000000000002 110.456 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.2 -4.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.721 -0.672 . . . . 3.6299999999999999 110.76 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 30.4 37.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.53 0.681 . . . . 5.6900000000000004 111.665 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.5 p -168.33 -18.35 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.061 -0.972 . . . . 8.3699999999999992 108.414 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-N 114.67 -1.15 . . . . 10.92 109.982 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.829 0.347 . . . . 2.31 110.745 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 m -101.07 121.54 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 1.5 111.216 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -134.55 129.33 34.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.824 -0.626 . . . . 2.61 110.313 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.1 mt -125.21 121.12 59.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 3.67 111.518 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -84.71 21.73 1.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.822 -0.626 . . . . 2.51 110.994 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.69 -75.8 1.3 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.667 -0.778 . . . . 2.18 112.526 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -168.04 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 2.56 110.712 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.4 t -122.42 147.02 46.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.898 -0.592 . . . . 1.14 110.735 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -137.6 112.08 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 1.64 110.8 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -106.7 151.08 25.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 2.12 111.074 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.18 121.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.52 111.396 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.673 ' HA ' ' HA ' ' A' ' 111' ' ' GLU . 85.1 m -63.21 140.5 58.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 1.53 109.925 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.52 150.59 29.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.936 0.398 . . . . 1.65 111.189 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -124.94 149.81 47.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.786 -0.643 . . . . 1.93 109.961 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.69 139.71 0.4 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.259 0.466 . . . . 1.59 112.259 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.29 51.89 40.21 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.92 -0.657 . . . . 0.7 112.039 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 127' ' ' THR . 0.0 OUTLIER -111.92 -178.54 3.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.153 0.502 . . . . 2.87 111.908 -179.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -152.46 118.97 5.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.45 -0.795 . . . . 1.7 109.995 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.7 mt -104.18 99.92 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.35 -0.386 . . . . 0.87 111.872 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.6 m -102.22 94.54 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.45 110.146 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.5 tp -105.9 109.01 20.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.943 -0.572 . . . . 0.42 111.711 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.9 m -101.3 100.77 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.61 109.819 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -122.96 157.53 32.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.54 112.004 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.01 79.32 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.667 -0.697 . . . . 1.84 109.891 178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -155.66 170.35 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 1.03 110.893 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 p -110.5 13.52 22.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.048 -0.524 . . . . 1.42 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.59 140.31 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.53 . . . . 2.82 110.242 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.7 101.44 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 1.54 111.279 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.74 98.44 8.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 1.72 110.116 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -97.81 142.77 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.104 0.478 . . . . 0.74 111.923 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.24 81.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.703 -0.68 . . . . 0.87 110.04 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.97 97.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.903 -0.589 . . . . 1.44 111.833 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.2 -125.53 28.26 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.878 -0.601 . . . . 1.67 113.517 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.2 m -134.63 -1.77 2.76 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.255 . . . . 1.63 111.472 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.4 p -110.17 11.6 23.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.744 0.307 . . . . 1.8 110.939 -179.715 68.954 -148.646 178.112 103.791 2.028 103.778 72.101 -59.199 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.15 152.08 29.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.001 0.429 . . . . 3.59 111.692 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -140.27 134.9 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.665 . . . . 1.7 110.201 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tt -153.17 115.22 4.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.358 -0.383 . . . . 0.93 111.136 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.4 111.42 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.339 -0.391 . . . . 1.13 110.604 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.09 91.19 6.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.34 111.191 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -99.48 91.32 4.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.6 110.942 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -78.71 -14.72 59.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.95 110.39 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.17 -44.08 87.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.861 -0.609 . . . . 0.81 110.248 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.7 -35.22 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.498 -0.774 . . . . 2.31 110.616 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.21 50.38 0.72 Allowed Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.842 -0.694 . . . . 0.53 113.066 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 27.2 p90 -161.9 146.51 12.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.7 111.208 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 tt -121.8 98.16 5.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.998 -0.546 . . . . 0.94 110.15 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -79.47 119.56 22.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.832 -0.622 . . . . 2.17 110.592 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -136.92 140.34 42.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.976 0.417 . . . . 0.91 111.469 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -111.85 84.91 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.952 -0.567 . . . . 2.01 110.2 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.8 p -98.43 -74.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 1.35 111.166 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -149.21 27.42 1.25 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.144 -0.782 . . . . 1.48 111.144 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.3 m -70.95 10.7 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.512 -0.344 . . . . 2.58 111.699 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.5 138.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.079 0.466 . . . . 4.06 111.657 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.7 m 66.38 -79.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.425 -0.807 . . . . 3.63 112.255 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.98 -164.39 1.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.316 0.579 . . . . 1.6 112.189 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.37 178.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.211 -0.904 . . . . 1.31 111.688 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -139.65 120.75 14.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.699 -0.682 . . . . 1.67 110.293 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -86.32 121.85 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 1.64 111.691 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.15 112.25 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.34 110.528 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . 7.8 pt-20 -53.46 137.77 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 2.52 111.236 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.0 t -124.1 162.06 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.786 -0.643 . . . . 1.62 110.835 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.52 172.53 0.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.282 -0.417 . . . . 3.04 110.913 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -104.45 93.82 6.31 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 2.58 110.441 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.54 168.44 5.27 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.321 2.014 . . . . 0.68 112.301 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.96 74.64 1.47 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.933 -0.576 . . . . 0.63 110.966 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.48 -106.27 3.34 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.788 -0.72 . . . . 0.53 112.972 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -56.48 147.93 65.94 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.58 2.186 . . . . 0.43 112.859 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -158.58 115.86 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.738 -0.664 . . . . 0.32 110.803 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.6 t -100.27 118.25 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.47 111.14 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 tp -114.75 107.52 15.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.93 110.446 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.2 m -116.09 105.37 12.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.51 -0.314 . . . . 0.48 111.645 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.6 mt -109.67 106.05 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.72 110.808 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.79 120.66 6.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.49 113.148 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.18 150.63 20.31 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 110.08 -0.341 . . . . 1.22 110.08 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.13 39.17 0.24 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.221 -0.99 . . . . 1.37 113.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.14 -169.35 0.19 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.708 0.29 . . . . 2.53 110.933 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -53.04 -39.17 63.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 2.77 111.156 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -160.29 5.65 0.11 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.76 -0.733 . . . . 0.88 112.276 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 ttt-85 -61.87 128.48 36.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 3.82 110.881 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.1 151.96 50.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.094 0.473 . . . . 1.08 111.371 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.35 81.1 1.99 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.639 -0.709 . . . . 0.45 109.782 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.9 t -74.75 95.31 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.873 -0.603 . . . . 0.63 112.041 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 53.4 t -110.11 99.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.7 109.587 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -114.02 127.03 55.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.354 0.597 . . . . 1.26 112.163 -178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -119.4 121.04 38.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.332 -0.849 . . . . 1.63 109.591 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -144.85 167.58 22.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.49 111.918 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 m -85.95 138.98 31.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 0.72 109.604 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -108.34 166.78 10.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.991 0.424 . . . . 1.76 111.827 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.6 mt -71.06 -12.83 61.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.069 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.06 11.11 6.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.732 -0.667 . . . . 2.54 110.415 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.35 24.86 14.91 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.912 -0.586 . . . . 2.17 111.307 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.58 162.52 28.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.57 111.202 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -82.32 136.08 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.064 -0.517 . . . . 1.9 110.712 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.03 106.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.927 -0.654 . . . . 0.94 112.372 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -110.22 98.68 7.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.818 0.342 . . . . 1.63 111.107 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.46 150.29 20.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 1.12 110.479 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.69 39.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.997 0.427 . . . . 0.78 111.816 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -140.29 128.25 22.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.74 -0.664 . . . . 4.14 110.515 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.01 101.97 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 1.4 111.24 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 39.4 t -128.5 113.78 31.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.67 110.693 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -55.46 13.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.426 . . . . 2.37 111.284 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.24 90.44 8.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.911 0.386 . . . . 2.72 110.91 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.9 m -113.02 -81.44 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.006 -0.543 . . . . 1.91 111.153 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.73 -128.32 2.57 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.318 -0.944 . . . . 2.14 113.231 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 81.6 m -90.04 -158.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.8 0.333 . . . . 2.34 111.354 -179.262 -59.199 72.101 178.112 103.778 2.028 103.791 -148.646 68.954 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 p -172.12 -70.66 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.047 -0.524 . . . . 3.29 111.515 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.4 m -46.13 -56.27 5.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 1.26 111.814 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.5 m -125.42 110.34 13.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.452 -0.34 . . . . 1.5 110.197 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.99 105.38 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 3.09 111.521 -178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.673 ' HA ' ' HA ' ' A' ' 12' ' ' THR . 12.1 pt-20 -83.59 97.56 9.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.054 0.454 . . . . 2.01 111.165 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.5 t -79.83 135.25 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.827 -0.624 . . . . 1.02 110.926 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.5 m -112.86 123.85 51.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.325 -0.398 . . . . 0.97 111.088 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -113.55 104.98 12.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.51 110.824 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -109.99 139.76 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.393 -0.367 . . . . 2.04 110.875 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 108.05 -2.03 33.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 1.12 112.428 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.22 -13.63 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 1.65 110.97 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 61.45 -164.19 20.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.953 -0.641 . . . . 1.82 112.666 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.2 t -102.31 91.86 4.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 1.95 110.819 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 159.39 -3.64 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 1.89 112.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.55 148.03 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.731 0.301 . . . . 0.74 110.828 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 81.2 p -113.23 143.35 44.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.233 -0.439 . . . . 0.75 111.174 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.5 tp -115.71 99.44 7.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 1.6 110.694 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.58 102.6 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.6 110.742 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.2 p -116.12 100.78 11.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.884 -0.598 . . . . 1.69 110.841 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 46.7 p -134.58 140.76 46.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 1.52 111.638 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 88.3 m -84.73 81.69 8.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 1.37 110.762 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp 59.75 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.892 -0.595 . . . . 2.27 111.501 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -112.8 -34.44 1.86 Allowed Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.65 -0.786 . . . . 2.15 113.171 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -88.98 166.09 14.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 3.12 111.529 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.4 m -108.71 112.34 60.55 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 115.921 -0.581 . . . . 2.22 111.326 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.09 83.61 2.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.517 2.144 . . . . 2.19 112.038 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.0 m -63.71 87.6 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.249 -0.432 . . . . 3.93 110.456 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.2 -4.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.721 -0.672 . . . . 3.63 110.76 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 30.4 37.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-O 121.53 0.681 . . . . 5.69 111.665 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.5 p -168.33 -18.35 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.061 -0.972 . . . . 8.37 108.414 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-N 114.67 -1.15 . . . . 10.92 109.982 179.044 . . . . . . . . 0 0 . 1 stop_ save_