data_1kwj_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 1kwj _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 . . . . . . . . . . . . 2.416 . . . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 117.546 -1.216 . . . . 10.0 109.844 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.3 -133.56 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.127 0.876 . . . . 10.0 110.281 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.44 115.69 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 120.192 -1.567 . . . . 10.0 112.011 -175.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.52 123.01 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.385 1.074 . . . . 10.0 110.893 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -106.54 113.08 26.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.092 0.957 . . . . 10.0 112.033 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.31 96.3 8.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.131 1.372 . . . . 10.0 112.642 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -81.6 83.91 6.92 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.96 0.886 . . . . 10.0 112.905 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -101.64 170.39 8.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.688 1.995 . . . . 10.0 110.881 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.1 68.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.566 0.95 . . . . 10.0 113.566 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.81 16.88 11.42 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -169.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.3 127.81 5.93 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 110.387 -1.085 . . . . 10.0 110.387 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.8 p30 -68.68 160.07 30.93 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.34 1.07 . . . . 10.0 110.499 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -127.83 -26.5 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 115.486 1.662 . . . . 10.0 115.486 -154.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 m 63.53 93.29 0.06 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.988 1.375 . . . . 10.0 113.92 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.75 100.94 10.58 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.505 1.522 . . . . 10.0 107.906 167.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.57 69.06 6.98 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -46.94 -42.88 18.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.786 1.234 . . . . 10.0 110.161 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -67.02 -75.21 0.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.172 -1.376 . . . . 10.0 112.708 165.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.03 -40.26 73.18 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.892 -1.13 . . . . 10.0 113.621 -163.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -56.33 -53.29 59.06 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 169.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.87 74.6 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.492 1.293 . . . . 10.0 114.492 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -54.05 -27.75 34.26 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 119.042 0.837 . . . . 10.0 111.688 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' NZ ' ' O1D' ' A' ' 153' ' ' HEC . 67.6 mttt -90.13 -51.1 5.63 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.509 1.124 . . . . 10.0 112.827 166.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 87.3 mt -93.22 -10.87 34.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.045 1.738 . . . . 10.0 115.188 -160.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.82 42.85 99.61 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.54 1.376 . . . . 10.0 116.54 168.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.4 m 62.48 -59.51 0.13 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.902 2.481 . . . . 10.0 114.132 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -44.61 -44.02 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 128.197 2.599 . . . . 10.0 111.214 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -41.74 -32.84 0.42 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.485 1.661 . . . . 10.0 115.485 173.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -115.28 0.44 13.49 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.878 1.271 . . . . 10.0 112.493 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -153.51 100.42 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.112 -0.992 . . . . 10.0 111.872 -162.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.35 82.01 0.09 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.721 0.772 . . . . 10.0 112.943 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.77 -60.26 3.76 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.81 1.195 . . . . 10.0 112.777 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -96.81 105.9 26.7 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.94 0.896 . . . . 10.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.11 133.93 18.72 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.889 1.726 . . . . 10.0 110.693 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.86 170.7 21.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.057 0.943 . . . . 10.0 110.245 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -74.52 95.33 2.75 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.4 mt -67.6 130.05 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.49 0.716 . . . . 10.0 109.257 170.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.48 103.21 4.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 122.201 1.0 . . . . 10.0 112.318 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm -93.1 135.2 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 114.616 -1.174 . . . . 10.0 110.713 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -159.77 171.11 20.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.523 1.929 . . . . 10.0 107.2 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' NZ ' ' O1A' ' A' ' 166' ' ' HEC . 37.0 pttt -60.7 -8.34 2.88 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.344 1.858 . . . . 10.0 114.169 170.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -82.16 -68.32 0.71 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.776 1.63 . . . . 10.0 107.582 164.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -55.25 37.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.755 0.822 . . . . 10.0 112.959 -172.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.92 -21.63 63.57 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.715 2.006 . . . . 10.0 114.167 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.16 -20.16 14.25 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.981 0.912 . . . . 10.0 112.503 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.45 -58.68 2.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.176 0.444 . . . . 10.0 110.831 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -148.84 -59.4 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.109 -0.95 . . . . 10.0 111.69 -162.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.91 134.22 37.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.119 0.568 . . . . 10.0 110.872 173.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.2 m 67.6 -62.33 0.34 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.715 1.606 . . . . 10.0 111.995 -169.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -42.45 -63.81 0.71 Allowed 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.737 1.615 . . . . 10.0 113.337 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.6 m -58.41 -40.13 81.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.161 0.891 . . . . 10.0 112.7 -170.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.44 -53.19 59.71 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.767 -0.583 . . . . 10.0 110.628 173.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -51.09 -52.42 43.72 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -49.89 -45.99 51.26 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.824 1.65 . . . . 10.0 112.832 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.0 t -66.16 -11.57 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -128.56 -168.67 1.95 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.237 1.015 . . . . 10.0 108.865 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.66 52.79 1.48 Allowed 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.897 -1.127 . . . . 10.0 110.418 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 163.87 51.66 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.75 -0.594 . . . . 10.0 112.897 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.66 72.95 3.62 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.221 2.614 . . . . 10.0 110.25 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 m -71.12 65.87 0.39 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.555 1.942 . . . . 10.0 111.91 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -165.11 147.27 7.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.687 1.195 . . . . 10.0 109.266 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.2 m -54.06 -57.36 11.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.495 -0.753 . . . . 10.0 111.232 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.41 -12.07 30.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.43 1.014 . . . . 10.0 114.193 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.127 0.87 . . . . 10.0 112.413 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.17 -49.88 3.19 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.512 0.725 . . . . 10.0 111.127 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -84.92 124.76 32.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.84 0.856 . . . . 10.0 112.606 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.9 mm -58.78 125.05 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.341 -0.849 . . . . 10.0 110.646 169.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 C-N-CA 124.411 1.084 . . . . 10.0 110.65 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HEC . . . . . 0.478 ' O1D' ' NZ ' ' A' ' 23' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HEC . . . . . 0.477 ' HHA' ' CGD' ' A' ' 166' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.416 . . . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 117.546 -1.216 . . . . 10.0 109.844 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.3 -133.56 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.127 0.876 . . . . 10.0 110.281 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.44 115.69 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 120.192 -1.567 . . . . 10.0 112.011 -175.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.52 123.01 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.385 1.074 . . . . 10.0 110.893 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -106.54 113.08 26.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.092 0.957 . . . . 10.0 112.033 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.31 96.3 8.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.131 1.372 . . . . 10.0 112.642 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -81.6 83.91 6.92 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.96 0.886 . . . . 10.0 112.905 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -101.64 170.39 8.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.688 1.995 . . . . 10.0 110.881 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.1 68.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.566 0.95 . . . . 10.0 113.566 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.81 16.88 11.42 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -169.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.3 127.81 5.93 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 110.387 -1.085 . . . . 10.0 110.387 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.8 p30 -68.68 160.07 30.93 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.34 1.07 . . . . 10.0 110.499 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -127.83 -26.5 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 115.486 1.662 . . . . 10.0 115.486 -154.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 m 63.53 93.29 0.06 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.988 1.375 . . . . 10.0 113.92 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.75 100.94 10.58 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.505 1.522 . . . . 10.0 107.906 167.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.57 69.06 6.98 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -46.94 -42.88 18.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.786 1.234 . . . . 10.0 110.161 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -67.02 -75.21 0.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.172 -1.376 . . . . 10.0 112.708 165.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.03 -40.26 73.18 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.892 -1.13 . . . . 10.0 113.621 -163.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -56.33 -53.29 59.06 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 169.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.87 74.6 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.492 1.293 . . . . 10.0 114.492 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -54.05 -27.75 34.26 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 119.042 0.837 . . . . 10.0 111.688 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' NZ ' ' O1D' ' A' ' 153' ' ' HEC . 67.6 mttt -90.13 -51.1 5.63 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.509 1.124 . . . . 10.0 112.827 166.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 87.3 mt -93.22 -10.87 34.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.045 1.738 . . . . 10.0 115.188 -160.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.82 42.85 99.61 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.54 1.376 . . . . 10.0 116.54 168.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.4 m 62.48 -59.51 0.13 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.902 2.481 . . . . 10.0 114.132 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -44.61 -44.02 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 128.197 2.599 . . . . 10.0 111.214 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -41.74 -32.84 0.42 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.485 1.661 . . . . 10.0 115.485 173.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -115.28 0.44 13.49 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.878 1.271 . . . . 10.0 112.493 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -153.51 100.42 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.112 -0.992 . . . . 10.0 111.872 -162.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.35 82.01 0.09 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.721 0.772 . . . . 10.0 112.943 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.77 -60.26 3.76 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.81 1.195 . . . . 10.0 112.777 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -96.81 105.9 26.7 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.94 0.896 . . . . 10.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.11 133.93 18.72 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.889 1.726 . . . . 10.0 110.693 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.86 170.7 21.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.057 0.943 . . . . 10.0 110.245 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -74.52 95.33 2.75 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.4 mt -67.6 130.05 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.49 0.716 . . . . 10.0 109.257 170.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.48 103.21 4.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 122.201 1.0 . . . . 10.0 112.318 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm -93.1 135.2 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 114.616 -1.174 . . . . 10.0 110.713 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -159.77 171.11 20.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.523 1.929 . . . . 10.0 107.2 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -60.7 -8.34 2.88 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.344 1.858 . . . . 10.0 114.169 170.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -82.16 -68.32 0.71 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.776 1.63 . . . . 10.0 107.582 164.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -55.25 37.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.755 0.822 . . . . 10.0 112.959 -172.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.92 -21.63 63.57 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.715 2.006 . . . . 10.0 114.167 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.16 -20.16 14.25 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.981 0.912 . . . . 10.0 112.503 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.45 -58.68 2.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.176 0.444 . . . . 10.0 110.831 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -148.84 -59.4 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.109 -0.95 . . . . 10.0 111.69 -162.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.91 134.22 37.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.119 0.568 . . . . 10.0 110.872 173.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.2 m 67.6 -62.33 0.34 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.715 1.606 . . . . 10.0 111.995 -169.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -42.45 -63.81 0.71 Allowed 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.737 1.615 . . . . 10.0 113.337 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.6 m -58.41 -40.13 81.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.161 0.891 . . . . 10.0 112.7 -170.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.44 -53.19 59.71 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.767 -0.583 . . . . 10.0 110.628 173.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -51.09 -52.42 43.72 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -49.89 -45.99 51.26 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.824 1.65 . . . . 10.0 112.832 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.0 t -66.16 -11.57 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -128.56 -168.67 1.95 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.237 1.015 . . . . 10.0 108.865 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.66 52.79 1.48 Allowed 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.897 -1.127 . . . . 10.0 110.418 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 163.87 51.66 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.75 -0.594 . . . . 10.0 112.897 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.66 72.95 3.62 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.221 2.614 . . . . 10.0 110.25 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 m -71.12 65.87 0.39 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.555 1.942 . . . . 10.0 111.91 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -165.11 147.27 7.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.687 1.195 . . . . 10.0 109.266 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.2 m -54.06 -57.36 11.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.495 -0.753 . . . . 10.0 111.232 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.41 -12.07 30.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.43 1.014 . . . . 10.0 114.193 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.127 0.87 . . . . 10.0 112.413 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.17 -49.88 3.19 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.512 0.725 . . . . 10.0 111.127 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -84.92 124.76 32.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.84 0.856 . . . . 10.0 112.606 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.9 mm -58.78 125.05 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.341 -0.849 . . . . 10.0 110.646 169.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 C-N-CA 124.411 1.084 . . . . 10.0 110.65 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HEC . . . . . 0.865 HBC3 HMC1 ' A' ' 153' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HEC . . . . . 0.505 ' CGD' ' HHA' ' A' ' 166' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.416 . . . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 117.546 -1.216 . . . . 10.0 109.844 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.3 -133.56 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.127 0.876 . . . . 10.0 110.281 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -62.44 115.69 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 120.192 -1.567 . . . . 10.0 112.011 -175.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.52 123.01 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.385 1.074 . . . . 10.0 110.893 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -106.54 113.08 26.38 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.092 0.957 . . . . 10.0 112.033 -176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -83.31 96.3 8.46 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.131 1.372 . . . . 10.0 112.642 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -81.6 83.91 6.92 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.96 0.886 . . . . 10.0 112.905 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -101.64 170.39 8.21 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.688 1.995 . . . . 10.0 110.881 177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.32 -28.1 68.42 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.566 0.95 . . . . 10.0 113.566 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.81 16.88 11.42 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.521 0.934 . . . . 10.0 113.521 -169.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.3 127.81 5.93 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 110.387 -1.085 . . . . 10.0 110.387 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.8 p30 -68.68 160.07 30.93 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.34 1.07 . . . . 10.0 110.499 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -127.83 -26.5 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 115.486 1.662 . . . . 10.0 115.486 -154.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 m 63.53 93.29 0.06 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.988 1.375 . . . . 10.0 113.92 169.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -82.75 100.94 10.58 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.505 1.522 . . . . 10.0 107.906 167.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.57 69.06 6.98 Favored 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.05 -1.093 . . . . 10.0 108.05 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -46.94 -42.88 18.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.786 1.234 . . . . 10.0 110.161 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -67.02 -75.21 0.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 114.172 -1.376 . . . . 10.0 112.708 165.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.03 -40.26 73.18 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.892 -1.13 . . . . 10.0 113.621 -163.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -56.33 -53.29 59.06 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 169.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.87 74.6 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.492 1.293 . . . . 10.0 114.492 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -54.05 -27.75 34.26 Favored 'General case' 0 CA--C 1.551 1.015 0 CA-C-N 119.042 0.837 . . . . 10.0 111.688 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' NZ ' ' O1D' ' A' ' 153' ' ' HEC . 67.6 mttt -90.13 -51.1 5.63 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.509 1.124 . . . . 10.0 112.827 166.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 87.3 mt -93.22 -10.87 34.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.045 1.738 . . . . 10.0 115.188 -160.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.82 42.85 99.61 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.54 1.376 . . . . 10.0 116.54 168.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.4 m 62.48 -59.51 0.13 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.902 2.481 . . . . 10.0 114.132 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -44.61 -44.02 8.6 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 128.197 2.599 . . . . 10.0 111.214 -175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 24' ' ' LEU . . . -41.74 -32.84 0.42 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 115.485 1.661 . . . . 10.0 115.485 173.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 90.5 m -115.28 0.44 13.49 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.878 1.271 . . . . 10.0 112.493 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -153.51 100.42 2.41 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.112 -0.992 . . . . 10.0 111.872 -162.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -66.35 82.01 0.09 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-O 121.721 0.772 . . . . 10.0 112.943 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.77 -60.26 3.76 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.81 1.195 . . . . 10.0 112.777 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.2 m -96.81 105.9 26.7 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 123.94 0.896 . . . . 10.0 110.531 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.11 133.93 18.72 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.889 1.726 . . . . 10.0 110.693 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.86 170.7 21.54 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.057 0.943 . . . . 10.0 110.245 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -74.52 95.33 2.75 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 72.4 mt -67.6 130.05 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 123.49 0.716 . . . . 10.0 109.257 170.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.48 103.21 4.04 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 122.201 1.0 . . . . 10.0 112.318 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm -93.1 135.2 28.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-N 114.616 -1.174 . . . . 10.0 110.713 175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -159.77 171.11 20.09 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 126.523 1.929 . . . . 10.0 107.2 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -60.7 -8.34 2.88 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 126.344 1.858 . . . . 10.0 114.169 170.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -82.16 -68.32 0.71 Allowed 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 125.776 1.63 . . . . 10.0 107.582 164.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.67 -55.25 37.28 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.755 0.822 . . . . 10.0 112.959 -172.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.92 -21.63 63.57 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 126.715 2.006 . . . . 10.0 114.167 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -103.16 -20.16 14.25 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.981 0.912 . . . . 10.0 112.503 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -82.45 -58.68 2.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 118.176 0.444 . . . . 10.0 110.831 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -148.84 -59.4 0.23 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.109 -0.95 . . . . 10.0 111.69 -162.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.91 134.22 37.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.119 0.568 . . . . 10.0 110.872 173.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.2 m 67.6 -62.33 0.34 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.715 1.606 . . . . 10.0 111.995 -169.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -42.45 -63.81 0.71 Allowed 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 125.737 1.615 . . . . 10.0 113.337 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.6 m -58.41 -40.13 81.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.161 0.891 . . . . 10.0 112.7 -170.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.44 -53.19 59.71 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.767 -0.583 . . . . 10.0 110.628 173.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -51.09 -52.42 43.72 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.505 0.557 . . . . 10.0 112.505 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -49.89 -45.99 51.26 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 125.824 1.65 . . . . 10.0 112.832 171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.0 t -66.16 -11.57 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.694 0.998 . . . . 10.0 113.694 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -128.56 -168.67 1.95 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.237 1.015 . . . . 10.0 108.865 175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -79.66 52.79 1.48 Allowed 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.897 -1.127 . . . . 10.0 110.418 172.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.76 163.87 51.66 Favored Glycine 0 CA--C 1.535 1.318 0 O-C-N 121.75 -0.594 . . . . 10.0 112.897 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -73.66 72.95 3.62 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.221 2.614 . . . . 10.0 110.25 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 m -71.12 65.87 0.39 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.555 1.942 . . . . 10.0 111.91 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -165.11 147.27 7.92 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.687 1.195 . . . . 10.0 109.266 -175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.2 m -54.06 -57.36 11.33 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.495 -0.753 . . . . 10.0 111.232 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.41 -12.07 30.68 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 124.43 1.014 . . . . 10.0 114.193 173.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.86 -25.8 75.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.127 0.87 . . . . 10.0 112.413 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.17 -49.88 3.19 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.512 0.725 . . . . 10.0 111.127 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -84.92 124.76 32.01 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.84 0.856 . . . . 10.0 112.606 -172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.9 mm -58.78 125.05 14.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 O-C-N 121.341 -0.849 . . . . 10.0 110.646 169.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 C-N-CA 124.411 1.084 . . . . 10.0 110.65 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HEC . . . . . 0.865 HBC3 HMC1 ' A' ' 153' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HEC . . . . . 0.505 ' CGD' ' HHA' ' A' ' 166' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_