==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FOUR HELIX BUNDLE 07-AUG-04 1W5K . COMPND 2 MOLECULE: GENERAL CONTROL PROTEIN GCN4; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.K.YADAV,L.J.LEMAN,C.D.STOUT,M.R.GHADIRI . 132 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 90.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 84.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A R > 0 0 149 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 159.5 14.0 8.3 43.1 2 3 A M H > + 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.845 360.0 56.6 -64.9 -33.8 13.2 4.7 42.1 3 4 A R H > S+ 0 0 150 98,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.898 104.8 51.8 -66.0 -39.6 9.8 5.9 40.8 4 5 A Q H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 110.9 49.0 -60.8 -39.6 11.4 8.4 38.5 5 6 A I H X S+ 0 0 13 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.909 110.4 49.6 -66.3 -43.8 13.6 5.6 37.2 6 7 A E H X S+ 0 0 77 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.899 111.5 49.2 -64.3 -41.1 10.7 3.2 36.6 7 8 A D H X S+ 0 0 66 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.888 110.1 51.2 -63.7 -42.0 8.8 5.9 34.8 8 9 A R H X S+ 0 0 105 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.904 109.1 50.4 -64.5 -42.9 11.8 6.7 32.6 9 10 A L H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.842 110.3 50.7 -60.6 -36.9 12.1 3.0 31.7 10 11 A E H X S+ 0 0 108 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.906 111.5 47.4 -67.4 -40.3 8.4 2.9 30.8 11 12 A E H X S+ 0 0 115 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.899 112.2 49.5 -65.6 -42.3 8.9 6.0 28.6 12 13 A I H X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.889 110.0 52.7 -60.9 -41.1 12.0 4.3 27.0 13 14 A L H X S+ 0 0 87 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.890 106.8 51.4 -63.1 -41.7 9.9 1.2 26.4 14 15 A S H X S+ 0 0 84 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.930 113.8 44.5 -61.4 -46.1 7.2 3.1 24.6 15 16 A K H X S+ 0 0 74 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.879 111.1 52.2 -67.3 -40.7 9.7 4.7 22.3 16 17 A L H X S+ 0 0 52 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.881 108.7 51.4 -63.9 -37.0 11.6 1.4 21.7 17 18 A H H X S+ 0 0 125 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.866 110.5 49.2 -66.6 -35.7 8.3 -0.2 20.7 18 19 A H H X S+ 0 0 75 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.890 109.8 51.5 -67.4 -42.6 7.7 2.7 18.3 19 20 A I H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.881 108.8 50.8 -59.8 -42.6 11.2 2.3 16.9 20 21 A C H X S+ 0 0 78 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.948 109.9 50.2 -62.0 -47.1 10.6 -1.5 16.3 21 22 A N H X S+ 0 0 108 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.879 112.4 47.7 -56.1 -40.0 7.3 -0.6 14.5 22 23 A E H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.868 111.2 49.1 -73.7 -36.4 9.2 1.9 12.3 23 24 A L H X S+ 0 0 74 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.868 111.3 50.3 -68.8 -37.2 12.0 -0.5 11.5 24 25 A A H X S+ 0 0 58 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.890 111.0 50.0 -65.6 -39.5 9.4 -3.2 10.6 25 26 A R H X S+ 0 0 116 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.912 110.7 48.5 -64.1 -45.7 7.7 -0.6 8.4 26 27 A I H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.885 109.7 52.7 -60.5 -41.5 11.0 0.3 6.7 27 28 A R H X S+ 0 0 198 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.915 110.6 48.2 -61.0 -41.6 11.7 -3.4 6.1 28 29 A R H X S+ 0 0 71 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.896 110.2 50.8 -64.0 -43.9 8.3 -3.7 4.5 29 30 A L H >< S+ 0 0 38 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.892 109.1 51.1 -63.5 -40.8 8.8 -0.7 2.2 30 31 A L H >< S+ 0 0 78 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.829 108.0 53.7 -65.0 -32.8 12.2 -2.0 1.0 31 32 A G H 3< S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.633 105.2 53.7 -77.1 -16.4 10.5 -5.4 0.2 32 33 A E T << 0 0 132 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.290 360.0 360.0-100.9 9.8 7.9 -3.7 -2.0 33 34 A R < 0 0 187 -3,-0.8 -3,-0.0 -4,-0.2 -4,-0.0 -0.266 360.0 360.0 -78.5 360.0 10.4 -1.8 -4.2 34 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 1 B R > 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -23.7 12.1 7.4 -1.5 36 2 B M H > + 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.902 360.0 50.1 -70.0 -39.1 15.5 5.7 -0.7 37 3 B R H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.831 110.5 51.5 -65.8 -31.8 16.8 9.1 0.5 38 4 B Q H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.887 108.2 49.7 -70.7 -40.5 13.7 9.3 2.7 39 5 B I H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.900 110.4 52.4 -63.2 -38.9 14.3 5.8 4.2 40 6 B E H X S+ 0 0 107 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.890 109.0 49.2 -61.3 -41.5 17.9 6.9 4.8 41 7 B D H X S+ 0 0 95 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.872 110.3 50.9 -66.8 -38.1 16.6 10.0 6.7 42 8 B R H X S+ 0 0 71 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.893 108.0 51.6 -67.5 -40.6 14.2 7.9 8.7 43 9 B L H X S+ 0 0 67 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.848 109.1 51.9 -63.1 -35.3 17.0 5.5 9.7 44 10 B E H X S+ 0 0 125 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.862 109.0 49.4 -66.6 -38.6 19.1 8.6 10.8 45 11 B E H X S+ 0 0 101 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.884 112.5 47.9 -67.4 -39.5 16.1 9.8 12.9 46 12 B I H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.922 111.2 50.6 -64.1 -47.0 15.9 6.3 14.5 47 13 B L H X S+ 0 0 81 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.899 108.3 53.5 -55.8 -45.7 19.6 6.2 15.1 48 14 B S H X S+ 0 0 73 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.923 113.1 42.2 -53.8 -50.9 19.4 9.6 16.8 49 15 B K H X S+ 0 0 85 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.864 111.6 54.3 -70.4 -37.2 16.7 8.4 19.1 50 16 B L H X S+ 0 0 57 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.918 108.4 49.7 -63.9 -41.1 18.4 5.1 19.8 51 17 B H H X S+ 0 0 116 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.892 109.6 51.5 -64.5 -38.3 21.6 6.9 20.8 52 18 B H H X S+ 0 0 54 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.913 109.7 50.7 -62.6 -42.1 19.6 9.1 23.2 53 19 B I H X S+ 0 0 11 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.898 107.5 52.1 -61.7 -42.5 18.0 6.0 24.7 54 20 B C H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.921 109.8 50.8 -56.8 -44.0 21.5 4.5 25.2 55 21 B N H X S+ 0 0 106 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.853 111.2 46.7 -64.9 -39.2 22.5 7.7 27.0 56 22 B E H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.859 112.9 48.8 -70.5 -38.4 19.4 7.6 29.3 57 23 B L H X S+ 0 0 69 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.866 110.0 52.4 -68.8 -35.9 19.9 3.9 30.1 58 24 B A H X S+ 0 0 38 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.912 109.5 49.9 -62.9 -42.9 23.6 4.6 30.9 59 25 B R H X S+ 0 0 148 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.896 111.2 48.7 -61.9 -41.5 22.4 7.4 33.2 60 26 B I H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.956 108.7 52.4 -64.9 -51.4 20.0 4.9 34.9 61 27 B R H X S+ 0 0 157 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.905 112.0 48.5 -46.2 -46.9 22.7 2.3 35.3 62 28 B R H X S+ 0 0 147 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.916 110.3 48.9 -63.6 -46.6 24.8 5.1 36.9 63 29 B L H >< S+ 0 0 75 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.907 109.4 53.0 -60.9 -42.0 22.1 6.2 39.3 64 30 B L H >< S+ 0 0 75 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.863 105.0 56.3 -61.1 -35.8 21.4 2.6 40.4 65 31 B G H 3< S+ 0 0 46 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.713 100.9 57.6 -67.5 -23.6 25.1 2.2 41.2 66 32 B E T << 0 0 104 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.450 360.0 360.0 -85.1 -3.5 25.0 5.2 43.6 67 33 B R < 0 0 111 -3,-1.2 -3,-0.0 -4,-0.3 34,-0.0 -0.228 360.0 360.0 -83.7 360.0 22.3 3.5 45.7 68 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 1 C R > 0 0 216 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -52.9 25.6 2.2 94.7 70 2 C M H > + 0 0 79 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.909 360.0 49.9 -57.7 -38.7 22.0 3.3 94.1 71 3 C R H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.829 108.4 52.9 -65.5 -34.6 23.4 6.6 92.9 72 4 C Q H > S+ 0 0 114 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.851 109.0 49.7 -67.9 -36.2 25.8 4.8 90.6 73 5 C I H X S+ 0 0 75 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.888 110.7 49.4 -67.8 -42.9 22.8 2.8 89.1 74 6 C E H X S+ 0 0 38 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.886 109.6 52.5 -62.4 -41.4 20.9 6.0 88.6 75 7 C D H X S+ 0 0 87 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.906 111.2 46.7 -58.0 -45.5 24.0 7.6 86.9 76 8 C R H X S+ 0 0 179 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.831 109.2 53.3 -69.8 -34.9 24.2 4.6 84.5 77 9 C L H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.859 107.5 52.6 -66.7 -36.5 20.5 4.7 83.7 78 10 C E H X S+ 0 0 106 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.905 110.0 47.4 -67.0 -41.5 20.8 8.3 82.8 79 11 C E H X S+ 0 0 49 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.886 111.5 51.4 -64.6 -41.6 23.7 7.5 80.4 80 12 C I H X S+ 0 0 66 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.906 108.3 51.9 -62.6 -43.2 21.6 4.6 78.9 81 13 C L H X S+ 0 0 30 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.886 109.1 50.3 -61.0 -39.0 18.7 7.0 78.4 82 14 C S H X S+ 0 0 64 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.931 113.2 45.1 -65.1 -46.0 20.9 9.5 76.5 83 15 C K H X S+ 0 0 96 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.921 111.9 52.3 -63.9 -44.5 22.3 6.8 74.2 84 16 C L H X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.868 106.5 53.5 -59.8 -40.1 18.9 5.3 73.6 85 17 C H H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.889 110.9 46.5 -61.5 -40.1 17.5 8.7 72.6 86 18 C H H X S+ 0 0 111 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.851 110.4 52.5 -71.8 -35.0 20.3 9.1 70.0 87 19 C I H X S+ 0 0 84 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.879 109.9 49.7 -64.6 -40.1 19.7 5.5 68.8 88 20 C C H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.931 110.1 50.4 -62.5 -46.2 16.1 6.4 68.3 89 21 C N H X S+ 0 0 72 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.883 110.9 49.5 -58.8 -40.0 17.1 9.6 66.4 90 22 C E H X S+ 0 0 97 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.906 109.5 50.1 -70.0 -41.6 19.4 7.6 64.1 91 23 C L H X S+ 0 0 36 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.867 110.2 51.8 -63.2 -35.1 16.7 5.0 63.4 92 24 C A H X S+ 0 0 44 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.904 111.0 47.2 -68.0 -41.2 14.3 7.9 62.5 93 25 C R H X S+ 0 0 132 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.901 111.7 50.5 -64.7 -43.8 16.9 9.4 60.1 94 26 C I H X S+ 0 0 69 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.922 109.8 50.4 -59.9 -46.0 17.6 6.0 58.5 95 27 C R H X S+ 0 0 85 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.889 111.9 48.9 -59.3 -38.4 13.8 5.5 58.0 96 28 C R H X S+ 0 0 67 -4,-1.8 4,-1.0 2,-0.2 3,-0.3 0.952 109.1 51.0 -66.4 -52.2 13.7 9.0 56.4 97 29 C L H >< S+ 0 0 71 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.851 109.4 52.2 -49.5 -41.6 16.6 8.3 54.1 98 30 C L H >< S+ 0 0 35 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.856 106.6 52.9 -68.7 -35.5 14.9 5.1 53.0 99 31 C G H 3< S+ 0 0 50 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.646 102.6 59.4 -71.9 -17.7 11.7 7.0 52.2 100 32 C E T << 0 0 131 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.320 360.0 360.0 -90.7 5.0 13.6 9.5 50.0 101 33 C R < 0 0 100 -3,-1.0 -98,-0.3 -100,-0.1 -3,-0.1 -0.374 360.0 360.0 -96.7 360.0 14.8 6.7 47.7 102 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 1 D R > 0 0 89 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -52.2 9.4 -4.4 50.2 104 2 D M H > + 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.837 360.0 56.5 -70.0 -32.5 11.3 -1.2 51.2 105 3 D R H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.842 105.1 52.3 -65.2 -34.6 8.0 0.2 52.3 106 4 D Q H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.920 107.6 50.9 -64.4 -46.0 7.6 -2.8 54.6 107 5 D I H X S+ 0 0 81 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.873 108.4 52.6 -60.4 -38.1 11.1 -2.1 56.1 108 6 D E H X S+ 0 0 39 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.906 109.6 48.8 -63.8 -41.8 10.1 1.5 56.7 109 7 D D H X S+ 0 0 97 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.887 110.9 50.2 -65.0 -39.5 7.0 0.3 58.6 110 8 D R H X S+ 0 0 51 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.861 108.8 51.5 -68.5 -36.5 9.1 -2.1 60.7 111 9 D L H X S+ 0 0 25 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.873 109.5 50.8 -66.9 -36.1 11.6 0.6 61.6 112 10 D E H X S+ 0 0 87 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.888 109.8 50.1 -66.4 -39.3 8.6 2.8 62.7 113 11 D E H X S+ 0 0 113 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.900 111.4 48.3 -64.5 -42.4 7.3 -0.1 64.9 114 12 D I H X S+ 0 0 78 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.882 109.6 53.1 -64.3 -40.7 10.8 -0.5 66.4 115 13 D L H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.923 108.3 50.5 -60.9 -43.7 10.9 3.2 67.0 116 14 D S H X S+ 0 0 62 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.888 112.8 45.8 -60.0 -44.1 7.6 3.1 68.8 117 15 D K H X S+ 0 0 139 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.873 112.5 50.5 -68.6 -38.4 8.8 0.2 71.0 118 16 D L H X S+ 0 0 35 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.894 109.8 49.5 -69.1 -40.7 12.1 1.8 71.8 119 17 D H H X S+ 0 0 83 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 110.6 50.8 -63.9 -40.9 10.5 5.1 72.8 120 18 D H H X S+ 0 0 109 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.910 110.8 49.7 -60.7 -42.4 8.1 3.2 75.1 121 19 D I H X S+ 0 0 72 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.913 109.1 51.3 -63.8 -43.8 11.1 1.4 76.6 122 20 D C H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.922 109.4 51.1 -55.4 -46.5 12.9 4.8 77.2 123 21 D N H X S+ 0 0 99 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.882 111.2 47.7 -59.9 -40.2 9.8 6.1 78.9 124 22 D E H X S+ 0 0 121 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.873 111.8 49.5 -68.2 -40.8 9.7 3.0 81.2 125 23 D L H X S+ 0 0 41 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.853 109.4 51.8 -68.4 -36.3 13.4 3.3 82.0 126 24 D A H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.893 109.8 50.0 -64.7 -43.3 13.1 7.0 82.9 127 25 D R H X S+ 0 0 162 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.943 110.5 49.9 -57.7 -49.0 10.2 6.1 85.2 128 26 D I H X S+ 0 0 83 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.922 109.8 51.1 -59.4 -45.0 12.4 3.5 86.8 129 27 D R H X S+ 0 0 27 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.921 112.1 46.8 -56.6 -46.0 15.2 6.0 87.2 130 28 D R H X S+ 0 0 150 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.926 112.0 50.1 -62.5 -44.4 12.8 8.5 88.9 131 29 D L H >< S+ 0 0 93 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.929 109.3 50.8 -62.3 -48.1 11.3 5.8 91.2 132 30 D L H >< S+ 0 0 37 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.854 107.5 55.9 -53.1 -37.8 14.8 4.7 92.3 133 31 D G H 3< S+ 0 0 50 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.602 102.9 54.7 -73.5 -14.5 15.5 8.4 93.0 134 32 D E T << 0 0 107 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.222 360.0 360.0-100.3 10.9 12.5 8.6 95.4 135 33 D R < 0 0 253 -3,-1.1 -3,-0.0 -4,-0.1 -4,-0.0 -0.420 360.0 360.0 -89.5 360.0 13.6 5.7 97.6