data_1d8k_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 1d8k _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.144 -0.317 . . . . 0.62 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -46.73 89.4 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.733 -0.469 . . . . 0.62 109.733 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -64.8 -12.67 50.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.423 0.289 . . . . 0.62 110.947 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.48 -39.86 4.08 Favored Glycine 0 C--N 1.344 0.973 0 N-CA-C 109.964 -1.254 . . . . 0.62 109.964 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -57.17 -34.1 68.11 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.62 110.531 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -47.54 -49.5 26.12 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 122.535 0.334 . . . . 0.62 110.209 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.38 52.88 0.02 OUTLIER Glycine 0 C--N 1.339 0.735 0 N-CA-C 110.354 -1.098 . . . . 0.62 110.354 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -84.77 -3.58 58.67 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.651 0.226 . . . . 0.62 110.884 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -177.59 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.713 -0.847 . . . . 0.62 108.713 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.75 -46.18 90.71 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.641 -0.709 . . . . 0.62 111.184 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.27 -49.0 80.09 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.488 -1.045 . . . . 0.62 110.488 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.07 -51.45 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.689 -0.486 . . . . 0.62 109.689 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.78 -42.17 96.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.424 0.289 . . . . 0.62 110.889 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.67 98.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.477 -0.194 . . . . 0.62 110.477 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -66.29 -37.73 86.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.504 -0.554 . . . . 0.62 109.504 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.04 -50.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.577 -0.527 . . . . 0.62 109.577 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.61 -43.49 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 109.812 -0.44 . . . . 0.62 109.812 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.1 -49.92 73.98 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.21 -0.293 . . . . 0.68 110.21 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.61 -53.56 56.91 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.974 -0.38 . . . . 0.62 109.974 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.0 mmm -54.96 -42.82 72.83 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.08 -0.341 . . . . 0.74 110.08 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -60.0 -63.92 1.13 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.819 -0.438 . . . . 0.62 109.819 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m -50.06 -43.84 51.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.838 0.455 . . . . 0.62 111.179 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -64.3 -46.2 84.64 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.829 -0.434 . . . . 0.76 109.829 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.611 -0.515 . . . . 0.62 109.611 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -70.65 -38.73 73.86 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.661 -0.496 . . . . 0.68 109.661 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -63.86 -50.15 69.97 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 110.164 -0.31 . . . . 0.76 110.164 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.7 -28.64 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.551 -0.62 . . . . 0.62 111.551 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.59 71.52 3.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.414 0.607 . . . . 0.71 109.919 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -79.97 -5.58 55.94 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.876 -0.416 . . . . 0.62 109.876 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.09 157.2 70.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 122.769 0.428 . . . . 0.62 110.974 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -70.12 158.26 57.06 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.796 2.331 . . . . 0.53 111.381 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -138.43 142.75 39.5 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 108.601 -0.889 . . . . 0.62 108.601 176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.0 p -64.49 169.25 4.97 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.501 -0.555 . . . . 0.62 109.501 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -58.89 6.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.674 -0.491 . . . . 0.62 109.674 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.63 -39.88 77.92 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 119.553 -0.261 . . . . 0.71 111.53 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.96 -37.95 69.72 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.788 -0.449 . . . . 0.71 109.788 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.44 -44.42 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.771 -0.455 . . . . 0.62 109.771 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.1 mt -54.34 -47.81 72.14 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 122.04 0.136 . . . . 0.62 110.824 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -49.22 -61.2 2.21 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.291 0.236 . . . . 0.71 111.372 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.68 -36.03 82.51 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.881 0.326 . . . . 0.71 111.881 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 44.3 p -78.42 -8.47 58.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.177 0.444 . . . . 0.62 110.593 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 66.22 47.14 1.9 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 109.477 -0.564 . . . . 0.68 109.477 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -130.17 35.08 4.14 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.62 109.605 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.47 -33.61 76.09 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.047 -0.408 . . . . 0.62 110.144 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 47' ' ' GLY . 14.2 t70 -68.57 -60.51 2.37 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.168 -1.049 . . . . 0.71 108.168 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.433 HG23 ' H ' ' A' ' 47' ' ' GLY . 6.8 tt 45.97 -71.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 125.89 1.676 . . . . 0.62 114.079 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' H ' HG23 ' A' ' 46' ' ' ILE . . . 127.5 136.69 4.33 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.131 -1.988 . . . . 0.62 108.131 -176.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 tp -52.99 -44.67 67.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.417 0.609 . . . . 0.62 110.749 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.77 -45.61 91.72 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 110.499 -0.185 . . . . 0.62 110.499 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -66.89 -51.59 53.55 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 110.297 -0.261 . . . . 0.68 110.297 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -54.45 -46.06 73.23 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.62 109.492 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.12 -49.2 78.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.67 -0.493 . . . . 0.68 109.67 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -54.58 -47.14 73.66 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 98.7 mt -61.5 -41.57 97.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.09 -0.337 . . . . 0.62 110.09 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 ttt -66.87 -37.79 85.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.986 0.736 . . . . 0.74 112.986 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -22.75 12.6 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.312 0.856 . . . . 0.62 113.312 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -112.21 -73.33 0.67 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.489 0.586 . . . . 0.71 111.524 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.454 ' C ' ' H ' ' A' ' 60' ' ' VAL . . . -52.72 -66.47 0.38 Allowed 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 111.975 0.361 . . . . 0.62 111.975 -174.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.94 31.25 0.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.347 -0.22 . . . . 0.62 110.702 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 58' ' ' ALA . 49.1 t -133.26 -37.21 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.606 -0.516 . . . . 0.62 109.606 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 p30 -111.1 -12.52 14.16 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 119.526 -0.273 . . . . 0.68 111.552 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.56 124.25 85.48 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 109.202 -0.666 . . . . 0.68 109.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -62.32 -22.74 74.56 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.787 2.325 . . . . 0.53 112.551 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -91.29 14.48 14.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.988 0.358 . . . . 0.62 111.222 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.7 mm -126.84 145.31 34.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 N-CA-C 109.877 -0.416 . . . . 0.62 109.877 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.22 115.28 16.12 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 108.814 -0.81 . . . . 0.71 108.814 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -76.4 124.51 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.297 -0.631 . . . . 0.62 109.297 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -139.44 119.87 14.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 109.602 -0.518 . . . . 0.62 109.602 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 52.08 44.65 29.4 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 122.887 0.475 . . . . 0.71 110.59 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.9 -36.83 1.9 Allowed Glycine 0 CA--C 1.532 1.094 0 N-CA-C 110.875 -0.89 . . . . 0.62 110.875 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -70.8 176.65 4.09 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.192 -0.67 . . . . 0.62 109.192 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -127.81 126.83 42.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.62 110.87 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.07 174.65 5.78 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.107 -0.701 . . . . 0.62 109.107 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -100.94 126.46 47.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.091 -0.707 . . . . 0.62 109.091 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -89.82 118.87 69.33 Favored Pre-proline 0 N--CA 1.452 -0.368 0 N-CA-C 109.161 -0.681 . . . . 0.62 109.161 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -64.76 149.28 89.92 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.0 1.8 . . . . 0.53 109.946 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.48 -63.95 0.98 Allowed 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.835 -0.431 . . . . 0.62 109.835 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' O ' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -153.77 12.07 0.44 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 109.897 -0.408 . . . . 0.62 109.897 -178.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 81.01 139.23 0.07 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 109.129 -0.693 . . . . 0.68 109.129 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.39 82.23 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 109.097 -0.705 . . . . 0.62 109.097 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.015 -1.469 . . . . 0.76 109.399 -179.483 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.144 -0.317 . . . . 0.62 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -46.73 89.4 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.733 -0.469 . . . . 0.62 109.733 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -64.8 -12.67 50.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.423 0.289 . . . . 0.62 110.947 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.48 -39.86 4.08 Favored Glycine 0 C--N 1.344 0.973 0 N-CA-C 109.964 -1.254 . . . . 0.62 109.964 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -57.17 -34.1 68.11 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.62 110.531 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -47.54 -49.5 26.12 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 122.535 0.334 . . . . 0.62 110.209 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.38 52.88 0.02 OUTLIER Glycine 0 C--N 1.339 0.735 0 N-CA-C 110.354 -1.098 . . . . 0.62 110.354 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -84.77 -3.58 58.67 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.651 0.226 . . . . 0.62 110.884 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -177.59 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.713 -0.847 . . . . 0.62 108.713 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.75 -46.18 90.71 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.641 -0.709 . . . . 0.62 111.184 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.27 -49.0 80.09 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.488 -1.045 . . . . 0.62 110.488 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.07 -51.45 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.689 -0.486 . . . . 0.62 109.689 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.78 -42.17 96.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.424 0.289 . . . . 0.62 110.889 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.67 98.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.477 -0.194 . . . . 0.62 110.477 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -66.29 -37.73 86.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.504 -0.554 . . . . 0.62 109.504 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.04 -50.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.577 -0.527 . . . . 0.62 109.577 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.61 -43.49 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 109.812 -0.44 . . . . 0.62 109.812 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.1 -49.92 73.98 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.21 -0.293 . . . . 0.68 110.21 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.61 -53.56 56.91 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.974 -0.38 . . . . 0.62 109.974 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.0 mmm -54.96 -42.82 72.83 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.08 -0.341 . . . . 0.74 110.08 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -60.0 -63.92 1.13 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.819 -0.438 . . . . 0.62 109.819 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m -50.06 -43.84 51.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.838 0.455 . . . . 0.62 111.179 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -64.3 -46.2 84.64 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.829 -0.434 . . . . 0.76 109.829 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.611 -0.515 . . . . 0.62 109.611 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -70.65 -38.73 73.86 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.661 -0.496 . . . . 0.68 109.661 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -63.86 -50.15 69.97 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 110.164 -0.31 . . . . 0.76 110.164 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.7 -28.64 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.551 -0.62 . . . . 0.62 111.551 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.59 71.52 3.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.414 0.607 . . . . 0.71 109.919 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -79.97 -5.58 55.94 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.876 -0.416 . . . . 0.62 109.876 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.09 157.2 70.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 122.769 0.428 . . . . 0.62 110.974 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -70.12 158.26 57.06 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.796 2.331 . . . . 0.53 111.381 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.7 mt -138.43 142.75 39.5 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 108.601 -0.889 . . . . 0.62 108.601 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.0 p -64.49 169.25 4.97 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.501 -0.555 . . . . 0.62 109.501 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -58.89 6.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.674 -0.491 . . . . 0.62 109.674 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.63 -39.88 77.92 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 119.553 -0.261 . . . . 0.71 111.53 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.96 -37.95 69.72 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.788 -0.449 . . . . 0.71 109.788 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.44 -44.42 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.771 -0.455 . . . . 0.62 109.771 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.1 mt -54.34 -47.81 72.14 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 122.04 0.136 . . . . 0.62 110.824 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -49.22 -61.2 2.21 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.291 0.236 . . . . 0.71 111.372 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.68 -36.03 82.51 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.881 0.326 . . . . 0.71 111.881 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 43' ' ' HIS . 44.3 p -78.42 -8.47 58.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.177 0.444 . . . . 0.62 110.593 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 66.22 47.14 1.9 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 109.477 -0.564 . . . . 0.68 109.477 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CD2' ' HB ' ' A' ' 41' ' ' THR . 7.8 m-70 -130.17 35.08 4.14 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.62 109.605 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.47 -33.61 76.09 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.047 -0.408 . . . . 0.62 110.144 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 47' ' ' GLY . 14.2 t70 -68.57 -60.51 2.37 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.168 -1.049 . . . . 0.71 108.168 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG23 ' H ' ' A' ' 47' ' ' GLY . 6.8 tt 45.97 -71.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 125.89 1.676 . . . . 0.62 114.079 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' H ' HG23 ' A' ' 46' ' ' ILE . . . 127.5 136.69 4.33 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.131 -1.988 . . . . 0.62 108.131 -176.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 tp -52.99 -44.67 67.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.417 0.609 . . . . 0.62 110.749 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.77 -45.61 91.72 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 110.499 -0.185 . . . . 0.62 110.499 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -66.89 -51.59 53.55 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 110.297 -0.261 . . . . 0.68 110.297 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -54.45 -46.06 73.23 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.62 109.492 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.12 -49.2 78.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.67 -0.493 . . . . 0.68 109.67 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -54.58 -47.14 73.66 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' HA ' ' HB3' ' A' ' 58' ' ' ALA . 98.7 mt -61.5 -41.57 97.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.09 -0.337 . . . . 0.62 110.09 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 ttt -66.87 -37.79 85.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.986 0.736 . . . . 0.74 112.986 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -22.75 12.6 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.312 0.856 . . . . 0.62 113.312 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -112.21 -73.33 0.67 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.489 0.586 . . . . 0.71 111.524 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -52.72 -66.47 0.38 Allowed 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 111.975 0.361 . . . . 0.62 111.975 -174.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.94 31.25 0.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.347 -0.22 . . . . 0.62 110.702 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 58' ' ' ALA . 49.1 t -133.26 -37.21 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.606 -0.516 . . . . 0.62 109.606 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 p30 -111.1 -12.52 14.16 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 119.526 -0.273 . . . . 0.68 111.552 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.56 124.25 85.48 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 109.202 -0.666 . . . . 0.68 109.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -62.32 -22.74 74.56 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.787 2.325 . . . . 0.53 112.551 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -91.29 14.48 14.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.988 0.358 . . . . 0.62 111.222 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.7 mm -126.84 145.31 34.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 N-CA-C 109.877 -0.416 . . . . 0.62 109.877 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.22 115.28 16.12 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 108.814 -0.81 . . . . 0.71 108.814 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -76.4 124.51 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.297 -0.631 . . . . 0.62 109.297 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -139.44 119.87 14.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 109.602 -0.518 . . . . 0.62 109.602 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 52.08 44.65 29.4 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 122.887 0.475 . . . . 0.71 110.59 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.9 -36.83 1.9 Allowed Glycine 0 CA--C 1.532 1.094 0 N-CA-C 110.875 -0.89 . . . . 0.62 110.875 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -70.8 176.65 4.09 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.192 -0.67 . . . . 0.62 109.192 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -127.81 126.83 42.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.62 110.87 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.07 174.65 5.78 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.107 -0.701 . . . . 0.62 109.107 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -100.94 126.46 47.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.091 -0.707 . . . . 0.62 109.091 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -89.82 118.87 69.33 Favored Pre-proline 0 N--CA 1.452 -0.368 0 N-CA-C 109.161 -0.681 . . . . 0.62 109.161 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -64.76 149.28 89.92 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.0 1.8 . . . . 0.53 109.946 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.48 -63.95 0.98 Allowed 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.835 -0.431 . . . . 0.62 109.835 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' O ' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -153.77 12.07 0.44 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 109.897 -0.408 . . . . 0.62 109.897 -178.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 81.01 139.23 0.07 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 109.129 -0.693 . . . . 0.68 109.129 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.39 82.23 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 109.097 -0.705 . . . . 0.62 109.097 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.015 -1.469 . . . . 0.76 109.399 -179.483 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 110.144 -0.317 . . . . 0.62 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.12 -46.73 89.4 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.733 -0.469 . . . . 0.62 109.733 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 t -64.8 -12.67 50.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 122.423 0.289 . . . . 0.62 110.947 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.48 -39.86 4.08 Favored Glycine 0 C--N 1.344 0.973 0 N-CA-C 109.964 -1.254 . . . . 0.62 109.964 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 t -57.17 -34.1 68.11 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.01 0.524 . . . . 0.62 110.531 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -47.54 -49.5 26.12 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 122.535 0.334 . . . . 0.62 110.209 179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.38 52.88 0.02 OUTLIER Glycine 0 C--N 1.339 0.735 0 N-CA-C 110.354 -1.098 . . . . 0.62 110.354 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -84.77 -3.58 58.67 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.651 0.226 . . . . 0.62 110.884 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -177.59 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.713 -0.847 . . . . 0.62 108.713 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -61.75 -46.18 90.71 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.641 -0.709 . . . . 0.62 111.184 -177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.27 -49.0 80.09 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.488 -1.045 . . . . 0.62 110.488 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -57.07 -51.45 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.689 -0.486 . . . . 0.62 109.689 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.78 -42.17 96.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.424 0.289 . . . . 0.62 110.889 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.11 -43.67 98.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 110.477 -0.194 . . . . 0.62 110.477 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -66.29 -37.73 86.12 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.504 -0.554 . . . . 0.62 109.504 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.0 mt -64.04 -50.75 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.577 -0.527 . . . . 0.62 109.577 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.61 -43.49 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 109.812 -0.44 . . . . 0.62 109.812 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -62.1 -49.92 73.98 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 110.21 -0.293 . . . . 0.68 110.21 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -58.61 -53.56 56.91 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.974 -0.38 . . . . 0.62 109.974 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 90.0 mmm -54.96 -42.82 72.83 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.08 -0.341 . . . . 0.74 110.08 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -60.0 -63.92 1.13 Allowed 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.819 -0.438 . . . . 0.62 109.819 178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m -50.06 -43.84 51.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 122.838 0.455 . . . . 0.62 111.179 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.3 ttt180 -64.3 -46.2 84.64 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 109.829 -0.434 . . . . 0.76 109.829 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 109.611 -0.515 . . . . 0.62 109.611 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -70.65 -38.73 73.86 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.661 -0.496 . . . . 0.68 109.661 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -63.86 -50.15 69.97 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 110.164 -0.31 . . . . 0.76 110.164 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.7 -28.64 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.551 -0.62 . . . . 0.62 111.551 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.59 71.52 3.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.414 0.607 . . . . 0.71 109.919 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 45.2 p -79.97 -5.58 55.94 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.876 -0.416 . . . . 0.62 109.876 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -64.09 157.2 70.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 C-N-CA 122.769 0.428 . . . . 0.62 110.974 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -70.12 158.26 57.06 Favored 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 122.796 2.331 . . . . 0.53 111.381 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.7 mt -138.43 142.75 39.5 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 108.601 -0.889 . . . . 0.62 108.601 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.0 p -64.49 169.25 4.97 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.501 -0.555 . . . . 0.62 109.501 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.14 -58.89 6.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.674 -0.491 . . . . 0.62 109.674 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -57.63 -39.88 77.92 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 119.553 -0.261 . . . . 0.71 111.53 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.96 -37.95 69.72 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 109.788 -0.449 . . . . 0.71 109.788 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 77.1 mt -71.44 -44.42 71.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 109.771 -0.455 . . . . 0.62 109.771 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.1 mt -54.34 -47.81 72.14 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 122.04 0.136 . . . . 0.62 110.824 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -49.22 -61.2 2.21 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.291 0.236 . . . . 0.71 111.372 -176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.68 -36.03 82.51 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.881 0.326 . . . . 0.71 111.881 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CD2' ' A' ' 43' ' ' HIS . 44.3 p -78.42 -8.47 58.52 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.177 0.444 . . . . 0.62 110.593 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 66.22 47.14 1.9 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 109.477 -0.564 . . . . 0.68 109.477 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CD2' ' HB ' ' A' ' 41' ' ' THR . 7.8 m-70 -130.17 35.08 4.14 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 109.605 -0.517 . . . . 0.62 109.605 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.47 -33.61 76.09 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.047 -0.408 . . . . 0.62 110.144 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 47' ' ' GLY . 14.2 t70 -68.57 -60.51 2.37 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.168 -1.049 . . . . 0.71 108.168 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.49 HG23 ' H ' ' A' ' 47' ' ' GLY . 6.8 tt 45.97 -71.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 125.89 1.676 . . . . 0.62 114.079 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' H ' HG23 ' A' ' 46' ' ' ILE . . . 127.5 136.69 4.33 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.131 -1.988 . . . . 0.62 108.131 -176.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 64.6 tp -52.99 -44.67 67.4 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 117.417 0.609 . . . . 0.62 110.749 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.77 -45.61 91.72 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 110.499 -0.185 . . . . 0.62 110.499 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -66.89 -51.59 53.55 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 110.297 -0.261 . . . . 0.68 110.297 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -54.45 -46.06 73.23 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.62 109.492 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -59.12 -49.2 78.79 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.67 -0.493 . . . . 0.68 109.67 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -54.58 -47.14 73.66 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 110.082 -0.34 . . . . 0.62 110.082 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' HA ' ' HB3' ' A' ' 58' ' ' ALA . 98.7 mt -61.5 -41.57 97.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.09 -0.337 . . . . 0.62 110.09 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.7 ttt -66.87 -37.79 85.1 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.986 0.736 . . . . 0.74 112.986 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.7 t -106.85 -22.75 12.6 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.312 0.856 . . . . 0.62 113.312 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -112.21 -73.33 0.67 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.489 0.586 . . . . 0.71 111.524 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -52.72 -66.47 0.38 Allowed 'General case' 0 C--O 1.226 -0.144 0 N-CA-C 111.975 0.361 . . . . 0.62 111.975 -174.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.3 mt -77.94 31.25 0.17 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.347 -0.22 . . . . 0.62 110.702 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 58' ' ' ALA . 49.1 t -133.26 -37.21 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 N-CA-C 109.606 -0.516 . . . . 0.62 109.606 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 p30 -111.1 -12.52 14.16 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-O 119.526 -0.273 . . . . 0.68 111.552 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.56 124.25 85.48 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 109.202 -0.666 . . . . 0.68 109.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -62.32 -22.74 74.56 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 122.787 2.325 . . . . 0.53 112.551 -177.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -91.29 14.48 14.35 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 117.988 0.358 . . . . 0.62 111.222 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.7 mm -126.84 145.31 34.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 N-CA-C 109.877 -0.416 . . . . 0.62 109.877 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -131.22 115.28 16.12 Favored 'General case' 0 C--N 1.342 0.277 0 N-CA-C 108.814 -0.81 . . . . 0.71 108.814 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.7 t -76.4 124.51 34.77 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.297 -0.631 . . . . 0.62 109.297 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -139.44 119.87 14.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 109.602 -0.518 . . . . 0.62 109.602 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 52.08 44.65 29.4 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 122.887 0.475 . . . . 0.71 110.59 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.9 -36.83 1.9 Allowed Glycine 0 CA--C 1.532 1.094 0 N-CA-C 110.875 -0.89 . . . . 0.62 110.875 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -70.8 176.65 4.09 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.192 -0.67 . . . . 0.62 109.192 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -127.81 126.83 42.42 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.732 0.301 . . . . 0.62 110.87 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.07 174.65 5.78 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.107 -0.701 . . . . 0.62 109.107 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -100.94 126.46 47.58 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.091 -0.707 . . . . 0.62 109.091 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -89.82 118.87 69.33 Favored Pre-proline 0 N--CA 1.452 -0.368 0 N-CA-C 109.161 -0.681 . . . . 0.62 109.161 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -64.76 149.28 89.92 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.0 1.8 . . . . 0.53 109.946 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.48 -63.95 0.98 Allowed 'General case' 0 C--N 1.34 0.159 0 N-CA-C 109.835 -0.431 . . . . 0.62 109.835 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' O ' ' CG ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -153.77 12.07 0.44 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 109.897 -0.408 . . . . 0.62 109.897 -178.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 81.01 139.23 0.07 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 109.129 -0.693 . . . . 0.68 109.129 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 29.0 t -77.39 82.23 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 109.097 -0.705 . . . . 0.62 109.097 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.015 -1.469 . . . . 0.76 109.399 -179.483 . . . . . . . . 0 0 . 1 stop_ save_