data_1rk9_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 1rk9 _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' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 117.322 -1.323 . . . . 0.0 109.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -164.77 89.89 0.51 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.868 1.667 . . . . 0.0 110.582 170.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.89 62.69 0.86 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 123.322 1.534 . . . . 0.0 110.689 178.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -175.77 -57.12 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.263 1.825 . . . . 0.0 108.281 -162.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.16 -51.37 13.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.076 1.75 . . . . 0.0 111.14 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.02 -53.44 31.24 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 122.771 0.428 . . . . 0.0 111.815 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -84.31 -63.81 1.27 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.121 -0.942 . . . . 0.0 113.232 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 139.7 119.77 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.366 3.867 . . . . 0.0 109.613 -170.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.95 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.07 -45.03 90.57 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.769 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.85 -46.51 89.14 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 110.363 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.98 -46.41 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.617 1.167 . . . . 0.0 112.554 171.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -54.85 -39.61 68.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.651 1.581 . . . . 0.0 111.817 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -73.44 -43.61 59.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.859 0.864 . . . . 0.0 112.424 171.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -55.16 37.46 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.663 1.185 . . . . 0.0 113.419 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.62 -38.65 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.189 0.45 . . . . 0.0 110.302 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.98 -27.05 69.74 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-O 119.046 -0.864 . . . . 0.0 114.192 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.49 57.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.877 1.339 . . . . 0.0 113.668 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -102.8 -5.92 23.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.952 0.901 . . . . 0.0 112.565 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -71.15 71.73 0.59 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.987 1.267 . . . . 0.0 112.07 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.79 -174.83 5.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.975 2.91 . . . . 0.0 108.937 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.3 p -78.4 -65.13 1.02 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.383 -0.823 . . . . 0.0 111.371 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.23 0.39 6.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.671 2.389 . . . . 0.0 113.174 -165.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -82.28 35.46 0.44 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.244 2.218 . . . . 0.0 114.118 -169.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 86' ' ' LEU . 6.4 t80 -60.18 132.03 52.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.933 1.293 . . . . 0.0 113.382 -172.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -139.2 56.88 1.67 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.94 0.876 . . . . 0.0 111.863 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -49.26 -45.1 44.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.155 1.382 . . . . 0.0 114.59 -168.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -51.66 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.007 1.323 . . . . 0.0 111.44 174.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -68.24 -44.21 76.2 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.492 1.517 . . . . 0.0 110.999 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.4 -57.79 8.73 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.318 1.047 . . . . 0.0 110.847 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.91 -25.81 65.41 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 -178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -80.55 -50.38 10.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.2 mtt -59.61 -39.0 82.78 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.314 1.446 . . . . 0.0 113.327 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.8 p -77.95 -9.86 12.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 125.419 1.488 . . . . 0.0 112.686 173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.64 19.84 69.51 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.464 -1.186 . . . . 0.0 115.644 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.14 -60.59 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.431 2.116 . . . . 0.0 112.295 -174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -48.35 -16.43 0.1 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.634 1.974 . . . . 0.0 114.533 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -100.65 -8.53 22.8 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.237 1.815 . . . . 0.0 112.753 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -94.32 -179.29 4.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.547 1.139 . . . . 0.0 109.849 168.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 t -76.86 158.23 30.92 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.471 -0.768 . . . . 0.0 113.069 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.14 -41.99 76.23 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.432 1.093 . . . . 0.0 111.926 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.35 -20.43 62.17 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -74.38 -47.91 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.38 1.072 . . . . 0.0 110.022 170.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.95 -30.87 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 126.297 1.839 . . . . 0.0 113.022 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -57.35 -59.27 5.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 112.671 166.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -62.2 -27.97 69.35 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.725 0.81 . . . . 0.0 112.554 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.44 -69.84 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.932 1.693 . . . . 0.0 109.927 171.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.56 -43.38 11.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.079 0.952 . . . . 0.0 113.456 173.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -11.74 8.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 176.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.7 tpt -95.9 -27.21 15.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.708 1.203 . . . . 0.0 112.785 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.72 -37.45 27.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.431 1.892 . . . . 0.0 111.088 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' O ' ' HE3' ' A' ' 55' ' ' LYS . 32.5 t70 -70.65 67.5 0.37 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.291 1.836 . . . . 0.0 110.152 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -42.95 -47.89 5.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.199 2.2 . . . . 0.0 112.426 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -80.55 -4.33 53.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.291 1.836 . . . . 0.0 114.523 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HE3' ' O ' ' A' ' 52' ' ' ASP . 2.7 mmpp? 62.09 15.51 7.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 p -73.21 -13.57 61.18 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.536 1.516 . . . . 0.0 115.076 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.9 14.92 60.18 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.866 1.222 . . . . 0.0 114.963 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.13 124.47 7.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.201 1.8 . . . . 0.0 108.889 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.9 mt -90.71 125.47 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.996 1.271 . . . . 0.0 108.997 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.37 172.72 9.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.28 2.232 . . . . 0.0 111.217 170.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -50.89 -34.28 27.65 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -160.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.83 -44.35 81.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.745 1.618 . . . . 0.0 112.721 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -83.5 -40.17 19.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.284 1.034 . . . . 0.0 110.799 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -22.7 36.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.516 1.927 . . . . 0.0 113.702 -176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.21 -20.67 76.78 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.827 -0.985 . . . . 0.0 115.255 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -146.96 25.13 1.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.685 . . . . 0.0 113.232 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -36.08 -40.42 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 1 C-N-CA 131.863 4.065 . . . . 0.0 113.533 174.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -53.33 -27.54 23.94 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -66.05 -9.94 35.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.462 1.483 . . . . 0.0 113.698 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.35 -32.06 20.7 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 118.653 0.661 . . . . 0.0 113.348 164.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -70.35 -42.76 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.763 171.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.57 174.34 0.43 Allowed Pre-proline 0 N--CA 1.471 0.62 0 CA-C-N 120.456 1.48 . . . . 0.0 113.698 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -66.54 168.95 15.22 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.433 2.089 . . . . 0.0 112.423 165.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.2 t0 59.44 19.71 8.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.096 2.558 . . . . 0.0 114.065 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.68 -55.14 17.88 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.312 3.045 . . . . 0.0 115.025 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 66.82 172.2 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.737 2.415 . . . . 0.0 114.0 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.94 114.19 19.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.943 2.497 . . . . 0.0 110.806 170.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.73 156.98 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.374 1.47 . . . . 0.0 111.754 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.7 t -64.82 153.77 39.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.055 0.931 . . . . 0.0 112.556 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.51 70.16 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.234 1.014 . . . . 0.0 112.147 168.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -61.69 -46.66 88.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.818 0.447 . . . . 0.0 109.821 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -59.85 -54.16 49.45 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.549 1.14 . . . . 0.0 110.757 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.7 m -50.56 -50.15 54.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.333 1.453 . . . . 0.0 111.779 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -58.34 -49.73 76.18 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.761 0.824 . . . . 0.0 112.075 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -45.12 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.312 0.645 . . . . 0.0 112.541 178.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 25' ' ' PHE . 23.7 tp -57.01 -46.58 82.21 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.991 1.716 . . . . 0.0 111.513 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 55.7 ttp -57.13 -53.53 56.99 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.846 0.748 . . . . 0.0 110.938 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.3 95.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.68 43.95 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.521 0.728 . . . . 0.0 112.476 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.82 -46.04 70.36 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 126.78 2.133 . . . . 0.0 113.283 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.18 85.15 1.04 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 117.626 0.713 . . . . 0.0 110.608 169.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -61.31 -7.73 3.19 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -117.75 -24.35 7.23 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.432 1.093 . . . . 0.0 113.552 -153.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.94 10.5 49.15 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.829 1.204 . . . . 0.0 115.003 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -81.18 -16.34 53.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.483 1.642 . . . . 0.0 113.257 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.73 60.98 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.328 1.918 . . . . 0.0 114.838 -160.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.2 mppt? -129.08 140.86 51.4 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.98 1.312 . . . . 0.0 113.268 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.18 125.23 29.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.68 155.67 16.15 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.605 1.097 . . . . 0.0 111.354 163.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.15 -51.95 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.262 1.425 . . . . 0.0 114.588 -172.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.28 -37.23 80.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.876 0.871 . . . . 0.0 111.894 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.21 -61.72 2.42 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 165.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.84 -36.56 58.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.95 1.7 . . . . 0.0 113.669 -173.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -60.79 -36.09 78.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.605 1.962 . . . . 0.0 114.139 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.6 p -110.03 -23.35 11.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.36 1.464 . . . . 0.0 112.547 -166.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.34 -45.94 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 131.147 3.779 . . . . 0.0 113.163 158.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.8 -11.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 127.228 2.211 . . . . 0.0 113.912 -170.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.85 20.92 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.405 1.482 . . . . 0.0 109.967 166.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.25 -39.54 79.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.663 0.785 . . . . 0.0 111.166 158.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.239 0.502 0 C-N-CA 124.485 1.114 . . . . 0.0 112.885 178.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 117.322 -1.323 . . . . 0.0 109.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -164.77 89.89 0.51 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.868 1.667 . . . . 0.0 110.582 170.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.89 62.69 0.86 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 123.322 1.534 . . . . 0.0 110.689 178.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -175.77 -57.12 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.263 1.825 . . . . 0.0 108.281 -162.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.16 -51.37 13.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.076 1.75 . . . . 0.0 111.14 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.02 -53.44 31.24 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 122.771 0.428 . . . . 0.0 111.815 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -84.31 -63.81 1.27 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.121 -0.942 . . . . 0.0 113.232 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 139.7 119.77 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.366 3.867 . . . . 0.0 109.613 -170.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.95 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.07 -45.03 90.57 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.769 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.85 -46.51 89.14 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 110.363 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.98 -46.41 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.617 1.167 . . . . 0.0 112.554 171.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -54.85 -39.61 68.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.651 1.581 . . . . 0.0 111.817 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -73.44 -43.61 59.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.859 0.864 . . . . 0.0 112.424 171.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB2' ' HB ' ' A' ' 34' ' ' VAL . . . -56.63 -55.16 37.46 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.663 1.185 . . . . 0.0 113.419 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.62 -38.65 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.189 0.45 . . . . 0.0 110.302 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.98 -27.05 69.74 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-O 119.046 -0.864 . . . . 0.0 114.192 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.49 57.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.877 1.339 . . . . 0.0 113.668 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -102.8 -5.92 23.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.952 0.901 . . . . 0.0 112.565 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -71.15 71.73 0.59 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.987 1.267 . . . . 0.0 112.07 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.79 -174.83 5.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.975 2.91 . . . . 0.0 108.937 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.3 p -78.4 -65.13 1.02 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.383 -0.823 . . . . 0.0 111.371 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.23 0.39 6.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.671 2.389 . . . . 0.0 113.174 -165.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -82.28 35.46 0.44 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.244 2.218 . . . . 0.0 114.118 -169.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 86' ' ' LEU . 6.4 t80 -60.18 132.03 52.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.933 1.293 . . . . 0.0 113.382 -172.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -139.2 56.88 1.67 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.94 0.876 . . . . 0.0 111.863 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -49.26 -45.1 44.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.155 1.382 . . . . 0.0 114.59 -168.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -51.66 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.007 1.323 . . . . 0.0 111.44 174.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -68.24 -44.21 76.2 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.492 1.517 . . . . 0.0 110.999 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.4 -57.79 8.73 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.318 1.047 . . . . 0.0 110.847 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.74 ' CD2' HG21 ' A' ' 107' ' ' VAL . 5.0 m-85 -59.91 -25.81 65.41 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -80.55 -50.38 10.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.2 mtt -59.61 -39.0 82.78 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.314 1.446 . . . . 0.0 113.327 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 15' ' ' ALA . 1.8 p -77.95 -9.86 12.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 125.419 1.488 . . . . 0.0 112.686 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.64 19.84 69.51 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.464 -1.186 . . . . 0.0 115.644 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD21 HG21 ' A' ' 47' ' ' VAL . 5.6 mt -56.14 -60.59 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.431 2.116 . . . . 0.0 112.295 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -48.35 -16.43 0.1 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.634 1.974 . . . . 0.0 114.533 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -100.65 -8.53 22.8 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.237 1.815 . . . . 0.0 112.753 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -94.32 -179.29 4.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.547 1.139 . . . . 0.0 109.849 168.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 t -76.86 158.23 30.92 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.471 -0.768 . . . . 0.0 113.069 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.14 -41.99 76.23 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.432 1.093 . . . . 0.0 111.926 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.35 -20.43 62.17 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -74.38 -47.91 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.38 1.072 . . . . 0.0 110.022 170.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.95 -30.87 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 126.297 1.839 . . . . 0.0 113.022 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -57.35 -59.27 5.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 112.671 166.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -62.2 -27.97 69.35 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.725 0.81 . . . . 0.0 112.554 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 36' ' ' LEU . 72.1 t -58.44 -69.84 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.932 1.693 . . . . 0.0 109.927 171.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.56 -43.38 11.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.079 0.952 . . . . 0.0 113.456 173.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -11.74 8.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 176.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.7 tpt -95.9 -27.21 15.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.708 1.203 . . . . 0.0 112.785 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.72 -37.45 27.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.431 1.892 . . . . 0.0 111.088 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' O ' ' HE3' ' A' ' 55' ' ' LYS . 32.5 t70 -70.65 67.5 0.37 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.291 1.836 . . . . 0.0 110.152 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -42.95 -47.89 5.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.199 2.2 . . . . 0.0 112.426 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -80.55 -4.33 53.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.291 1.836 . . . . 0.0 114.523 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 52' ' ' ASP . 2.7 mmpp? 62.09 15.51 7.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 p -73.21 -13.57 61.18 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.536 1.516 . . . . 0.0 115.076 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.9 14.92 60.18 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.866 1.222 . . . . 0.0 114.963 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.13 124.47 7.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.201 1.8 . . . . 0.0 108.889 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.9 mt -90.71 125.47 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.996 1.271 . . . . 0.0 108.997 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.37 172.72 9.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.28 2.232 . . . . 0.0 111.217 170.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 11.6 pt-20 -50.89 -34.28 27.65 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -160.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.83 -44.35 81.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.745 1.618 . . . . 0.0 112.721 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -83.5 -40.17 19.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.284 1.034 . . . . 0.0 110.799 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -56.7 -22.7 36.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.516 1.927 . . . . 0.0 113.702 -176.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.21 -20.67 76.78 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.827 -0.985 . . . . 0.0 115.255 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -146.96 25.13 1.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.685 . . . . 0.0 113.232 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -36.08 -40.42 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 1 C-N-CA 131.863 4.065 . . . . 0.0 113.533 174.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -53.33 -27.54 23.94 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -66.05 -9.94 35.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.462 1.483 . . . . 0.0 113.698 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.35 -32.06 20.7 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 118.653 0.661 . . . . 0.0 113.348 164.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -70.35 -42.76 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.763 171.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.57 174.34 0.43 Allowed Pre-proline 0 N--CA 1.471 0.62 0 CA-C-N 120.456 1.48 . . . . 0.0 113.698 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -66.54 168.95 15.22 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.433 2.089 . . . . 0.0 112.423 165.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.2 t0 59.44 19.71 8.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.096 2.558 . . . . 0.0 114.065 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.68 -55.14 17.88 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.312 3.045 . . . . 0.0 115.025 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 66.82 172.2 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.737 2.415 . . . . 0.0 114.0 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.94 114.19 19.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.943 2.497 . . . . 0.0 110.806 170.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.73 156.98 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.374 1.47 . . . . 0.0 111.754 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.7 t -64.82 153.77 39.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.055 0.931 . . . . 0.0 112.556 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.51 70.16 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.234 1.014 . . . . 0.0 112.147 168.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -61.69 -46.66 88.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.818 0.447 . . . . 0.0 109.821 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -59.85 -54.16 49.45 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.549 1.14 . . . . 0.0 110.757 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.7 m -50.56 -50.15 54.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.333 1.453 . . . . 0.0 111.779 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -58.34 -49.73 76.18 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.761 0.824 . . . . 0.0 112.075 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -45.12 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.312 0.645 . . . . 0.0 112.541 178.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' A' ' 25' ' ' PHE . 23.7 tp -57.01 -46.58 82.21 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.991 1.716 . . . . 0.0 111.513 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 55.7 ttp -57.13 -53.53 56.99 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.846 0.748 . . . . 0.0 110.938 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.3 95.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.68 43.95 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.521 0.728 . . . . 0.0 112.476 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.82 -46.04 70.36 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 126.78 2.133 . . . . 0.0 113.283 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.18 85.15 1.04 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 117.626 0.713 . . . . 0.0 110.608 169.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -61.31 -7.73 3.19 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -117.75 -24.35 7.23 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.432 1.093 . . . . 0.0 113.552 -153.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.94 10.5 49.15 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.829 1.204 . . . . 0.0 115.003 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -81.18 -16.34 53.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.483 1.642 . . . . 0.0 113.257 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.73 60.98 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.328 1.918 . . . . 0.0 114.838 -160.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.2 mppt? -129.08 140.86 51.4 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.98 1.312 . . . . 0.0 113.268 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.18 125.23 29.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.68 155.67 16.15 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.605 1.097 . . . . 0.0 111.354 163.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.15 -51.95 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.262 1.425 . . . . 0.0 114.588 -172.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.28 -37.23 80.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.876 0.871 . . . . 0.0 111.894 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.21 -61.72 2.42 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 165.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.84 -36.56 58.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.95 1.7 . . . . 0.0 113.669 -173.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -60.79 -36.09 78.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.605 1.962 . . . . 0.0 114.139 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.6 p -110.03 -23.35 11.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.36 1.464 . . . . 0.0 112.547 -166.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.34 -45.94 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 131.147 3.779 . . . . 0.0 113.163 158.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.74 HG21 ' CD2' ' A' ' 31' ' ' PHE . 16.1 m -99.8 -11.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 127.228 2.211 . . . . 0.0 113.912 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.85 20.92 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.405 1.482 . . . . 0.0 109.967 166.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.25 -39.54 79.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.663 0.785 . . . . 0.0 111.166 158.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.239 0.502 0 C-N-CA 124.485 1.114 . . . . 0.0 112.885 178.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 117.322 -1.323 . . . . 0.0 109.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -164.77 89.89 0.51 Allowed 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.868 1.667 . . . . 0.0 110.582 170.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.89 62.69 0.86 Allowed 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 123.322 1.534 . . . . 0.0 110.689 178.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.7 m -175.77 -57.12 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.263 1.825 . . . . 0.0 108.281 -162.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.16 -51.37 13.56 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.076 1.75 . . . . 0.0 111.14 173.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -67.02 -53.44 31.24 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 122.771 0.428 . . . . 0.0 111.815 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.7 mt -84.31 -63.81 1.27 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 118.121 -0.942 . . . . 0.0 113.232 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 139.7 119.77 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.366 3.867 . . . . 0.0 109.613 -170.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.95 69.98 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.07 -45.03 90.57 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.584 1.154 . . . . 0.0 112.769 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.85 -46.51 89.14 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.19 0.996 . . . . 0.0 110.363 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -52.98 -46.41 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 124.617 1.167 . . . . 0.0 112.554 171.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 tptt -54.85 -39.61 68.78 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.651 1.581 . . . . 0.0 111.817 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -73.44 -43.61 59.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.859 0.864 . . . . 0.0 112.424 171.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB2' ' HB ' ' A' ' 34' ' ' VAL . . . -56.63 -55.16 37.46 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.663 1.185 . . . . 0.0 113.419 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -55.62 -38.65 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 118.189 0.45 . . . . 0.0 110.302 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.98 -27.05 69.74 Favored Glycine 0 CA--C 1.535 1.322 0 CA-C-O 119.046 -0.864 . . . . 0.0 114.192 175.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.49 57.05 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.877 1.339 . . . . 0.0 113.668 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -102.8 -5.92 23.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.952 0.901 . . . . 0.0 112.565 171.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.2 t -71.15 71.73 0.59 Allowed 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.987 1.267 . . . . 0.0 112.07 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.79 -174.83 5.06 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 128.975 2.91 . . . . 0.0 108.937 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.3 p -78.4 -65.13 1.02 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.383 -0.823 . . . . 0.0 111.371 172.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.23 0.39 6.41 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.671 2.389 . . . . 0.0 113.174 -165.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t -82.28 35.46 0.44 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.244 2.218 . . . . 0.0 114.118 -169.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 86' ' ' LEU . 6.4 t80 -60.18 132.03 52.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.933 1.293 . . . . 0.0 113.382 -172.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -139.2 56.88 1.67 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.94 0.876 . . . . 0.0 111.863 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -49.26 -45.1 44.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.155 1.382 . . . . 0.0 114.59 -168.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -51.66 60.99 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.007 1.323 . . . . 0.0 111.44 174.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -68.24 -44.21 76.2 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.492 1.517 . . . . 0.0 110.999 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -52.4 -57.79 8.73 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.318 1.047 . . . . 0.0 110.847 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.74 ' CD2' HG21 ' A' ' 107' ' ' VAL . 5.0 m-85 -59.91 -25.81 65.41 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -80.55 -50.38 10.09 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.82 0.848 . . . . 0.0 111.692 172.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.2 mtt -59.61 -39.0 82.78 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.314 1.446 . . . . 0.0 113.327 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 15' ' ' ALA . 1.8 p -77.95 -9.86 12.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 125.419 1.488 . . . . 0.0 112.686 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.64 19.84 69.51 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.464 -1.186 . . . . 0.0 115.644 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD21 HG21 ' A' ' 47' ' ' VAL . 5.6 mt -56.14 -60.59 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.431 2.116 . . . . 0.0 112.295 -174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -48.35 -16.43 0.1 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 126.634 1.974 . . . . 0.0 114.533 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -100.65 -8.53 22.8 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.237 1.815 . . . . 0.0 112.753 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -94.32 -179.29 4.87 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.547 1.139 . . . . 0.0 109.849 168.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.5 t -76.86 158.23 30.92 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.471 -0.768 . . . . 0.0 113.069 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.14 -41.99 76.23 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.432 1.093 . . . . 0.0 111.926 170.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -71.35 -20.43 62.17 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -74.38 -47.91 31.16 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.38 1.072 . . . . 0.0 110.022 170.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.95 -30.87 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 126.297 1.839 . . . . 0.0 113.022 169.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -57.35 -59.27 5.39 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.258 1.023 . . . . 0.0 112.671 166.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -62.2 -27.97 69.35 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.725 0.81 . . . . 0.0 112.554 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.7 HG21 HD21 ' A' ' 36' ' ' LEU . 72.1 t -58.44 -69.84 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.932 1.693 . . . . 0.0 109.927 171.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -45.56 -43.38 11.99 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.079 0.952 . . . . 0.0 113.456 173.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -11.74 8.98 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 176.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.7 tpt -95.9 -27.21 15.28 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.708 1.203 . . . . 0.0 112.785 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.72 -37.45 27.29 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.431 1.892 . . . . 0.0 111.088 175.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' O ' ' HE3' ' A' ' 55' ' ' LYS . 32.5 t70 -70.65 67.5 0.37 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.291 1.836 . . . . 0.0 110.152 173.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -42.95 -47.89 5.79 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 127.199 2.2 . . . . 0.0 112.426 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -80.55 -4.33 53.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.291 1.836 . . . . 0.0 114.523 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 52' ' ' ASP . 2.7 mmpp? 62.09 15.51 7.44 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 p -73.21 -13.57 61.18 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.536 1.516 . . . . 0.0 115.076 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.9 14.92 60.18 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.866 1.222 . . . . 0.0 114.963 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -153.13 124.47 7.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.201 1.8 . . . . 0.0 108.889 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.9 mt -90.71 125.47 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.996 1.271 . . . . 0.0 108.997 172.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.37 172.72 9.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.28 2.232 . . . . 0.0 111.217 170.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 11.6 pt-20 -50.89 -34.28 27.65 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -160.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -56.83 -44.35 81.96 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.745 1.618 . . . . 0.0 112.721 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -83.5 -40.17 19.54 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.284 1.034 . . . . 0.0 110.799 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 0.3 OUTLIER -56.7 -22.7 36.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.516 1.927 . . . . 0.0 113.702 -176.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.21 -20.67 76.78 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-O 118.827 -0.985 . . . . 0.0 115.255 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -146.96 25.13 1.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.685 . . . . 0.0 113.232 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -36.08 -40.42 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 1 C-N-CA 131.863 4.065 . . . . 0.0 113.533 174.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.5 mt -53.33 -27.54 23.94 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -66.05 -9.94 35.42 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.462 1.483 . . . . 0.0 113.698 176.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -85.35 -32.06 20.7 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 118.653 0.661 . . . . 0.0 113.348 164.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -70.35 -42.76 71.43 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 117.773 -1.108 . . . . 0.0 111.763 171.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.57 174.34 0.43 Allowed Pre-proline 0 N--CA 1.471 0.62 0 CA-C-N 120.456 1.48 . . . . 0.0 113.698 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -66.54 168.95 15.22 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.433 2.089 . . . . 0.0 112.423 165.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.2 t0 59.44 19.71 8.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.096 2.558 . . . . 0.0 114.065 -172.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.68 -55.14 17.88 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 129.312 3.045 . . . . 0.0 115.025 171.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 66.82 172.2 0.25 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.737 2.415 . . . . 0.0 114.0 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.94 114.19 19.66 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.943 2.497 . . . . 0.0 110.806 170.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.73 156.98 18.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.374 1.47 . . . . 0.0 111.754 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.7 t -64.82 153.77 39.05 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.055 0.931 . . . . 0.0 112.556 174.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.99 -40.51 70.16 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.234 1.014 . . . . 0.0 112.147 168.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -61.69 -46.66 88.75 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.818 0.447 . . . . 0.0 109.821 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -59.85 -54.16 49.45 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.549 1.14 . . . . 0.0 110.757 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.7 m -50.56 -50.15 54.27 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.333 1.453 . . . . 0.0 111.779 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -58.34 -49.73 76.18 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.761 0.824 . . . . 0.0 112.075 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -45.12 76.35 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.312 0.645 . . . . 0.0 112.541 178.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.64 HD13 ' CE2' ' A' ' 25' ' ' PHE . 23.7 tp -57.01 -46.58 82.21 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.991 1.716 . . . . 0.0 111.513 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 55.7 ttp -57.13 -53.53 56.99 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.846 0.748 . . . . 0.0 110.938 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.61 -40.3 95.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.75 -41.68 43.95 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.521 0.728 . . . . 0.0 112.476 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.82 -46.04 70.36 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 126.78 2.133 . . . . 0.0 113.283 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -72.18 85.15 1.04 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 117.626 0.713 . . . . 0.0 110.608 169.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -61.31 -7.73 3.19 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -117.75 -24.35 7.23 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.432 1.093 . . . . 0.0 113.552 -153.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.94 10.5 49.15 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.829 1.204 . . . . 0.0 115.003 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -81.18 -16.34 53.15 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.483 1.642 . . . . 0.0 113.257 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.82 11.73 60.98 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.328 1.918 . . . . 0.0 114.838 -160.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.2 mppt? -129.08 140.86 51.4 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.98 1.312 . . . . 0.0 113.268 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 70.2 mt -71.18 125.23 29.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -113.68 155.67 16.15 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.605 1.097 . . . . 0.0 111.354 163.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -51.15 -51.95 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.262 1.425 . . . . 0.0 114.588 -172.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.28 -37.23 80.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.876 0.871 . . . . 0.0 111.894 -171.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.21 -61.72 2.42 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 165.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -52.84 -36.56 58.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.95 1.7 . . . . 0.0 113.669 -173.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.5 t -60.79 -36.09 78.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.605 1.962 . . . . 0.0 114.139 172.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 41.6 p -110.03 -23.35 11.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.36 1.464 . . . . 0.0 112.547 -166.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -29.34 -45.94 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 131.147 3.779 . . . . 0.0 113.163 158.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.74 HG21 ' CD2' ' A' ' 31' ' ' PHE . 16.1 m -99.8 -11.82 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 127.228 2.211 . . . . 0.0 113.912 -170.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.43 -37.85 20.92 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.405 1.482 . . . . 0.0 109.967 166.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.25 -39.54 79.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.663 0.785 . . . . 0.0 111.166 158.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p . . . . . 0 C--O 1.239 0.502 0 C-N-CA 124.485 1.114 . . . . 0.0 112.885 178.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_