==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-MAY-04 1T56 . COMPND 2 MOLECULE: ETHR REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.G.DOVER,P.E.CORSINO,I.R.DANIELS,S.L.COCKLIN,V.TATITURI,G.S . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 78.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 1 0 1 0 0 0 0 0 0 3 0 0 0 1 0 0 0 1 0 1 0 0 0 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 22 A G > 0 0 71 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -67.0 62.4 17.5 14.0 2 23 A D H > + 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.741 360.0 59.9 -67.2 -25.1 59.2 15.7 14.7 3 24 A D H > S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.891 105.9 45.0 -70.1 -42.4 60.1 15.8 18.5 4 25 A R H > S+ 0 0 38 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.853 113.1 50.9 -70.7 -36.4 60.1 19.6 18.5 5 26 A E H X S+ 0 0 74 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.921 109.6 49.9 -65.3 -43.9 56.9 19.9 16.5 6 27 A L H X S+ 0 0 96 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.798 108.5 54.2 -65.1 -30.1 55.1 17.5 18.9 7 28 A A H X S+ 0 0 31 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.836 107.6 49.1 -72.1 -35.3 56.4 19.6 21.9 8 29 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.915 113.1 47.6 -67.4 -42.9 54.9 22.7 20.4 9 30 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 112.1 48.4 -65.6 -43.1 51.5 21.0 19.8 10 31 A A H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.901 112.1 50.5 -64.1 -41.4 51.5 19.5 23.3 11 32 A T H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.888 109.5 50.4 -61.6 -43.5 52.3 22.9 24.8 12 33 A A H X S+ 0 0 5 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 110.6 48.4 -64.4 -44.5 49.5 24.6 22.8 13 34 A E H X S+ 0 0 31 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.891 112.8 49.4 -62.5 -40.3 46.9 22.1 23.9 14 35 A N H >X S+ 0 0 93 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.916 112.9 45.3 -65.2 -45.0 48.0 22.4 27.6 15 36 A L H 3X S+ 0 0 29 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.783 104.4 63.2 -71.4 -27.2 47.9 26.3 27.5 16 37 A L H 3< S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.693 93.9 62.7 -73.3 -20.2 44.5 26.3 25.7 17 38 A E H << S+ 0 0 131 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.883 111.3 37.8 -65.6 -38.6 42.9 24.6 28.8 18 39 A D H < S+ 0 0 138 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.726 129.7 0.4 -86.8 -25.4 43.8 27.6 30.9 19 40 A R S < S- 0 0 79 -4,-1.5 -1,-0.2 3,-0.0 5,-0.0 -0.994 76.3 -90.2-163.4 155.1 43.2 30.5 28.4 20 41 A P > - 0 0 83 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.155 44.5-102.8 -68.4 168.7 42.0 31.4 24.9 21 42 A L G > S+ 0 0 32 1,-0.2 3,-1.0 2,-0.2 26,-0.1 0.771 117.7 63.1 -65.7 -29.8 44.3 31.7 21.9 22 43 A A G 3 S+ 0 0 81 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.870 105.0 46.5 -61.1 -38.4 44.3 35.5 22.0 23 44 A D G < S+ 0 0 109 -3,-0.7 2,-0.5 2,-0.1 -1,-0.2 0.373 97.8 85.6 -88.8 2.3 45.9 35.5 25.4 24 45 A I < - 0 0 2 -3,-1.0 2,-0.2 -4,-0.2 23,-0.1 -0.917 66.0-158.9-102.8 131.2 48.6 32.9 24.4 25 46 A S > - 0 0 49 -2,-0.5 4,-1.6 1,-0.1 3,-0.3 -0.663 30.9-115.1-106.1 162.3 51.7 34.3 22.7 26 47 A V H > S+ 0 0 17 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.829 118.8 59.6 -63.1 -31.8 54.3 32.7 20.5 27 48 A D H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 103.4 51.1 -60.8 -40.1 56.8 33.4 23.3 28 49 A D H > S+ 0 0 53 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.892 111.6 47.4 -62.6 -41.3 54.6 31.2 25.6 29 50 A L H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.911 112.7 46.6 -69.9 -45.0 54.6 28.4 23.0 30 51 A A H X>S+ 0 0 2 -4,-2.5 5,-2.3 2,-0.2 4,-0.6 0.933 112.4 51.5 -62.2 -46.2 58.3 28.4 22.3 31 52 A K H ><5S+ 0 0 75 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.909 110.2 47.8 -57.7 -47.4 59.1 28.5 26.1 32 53 A G H 3<5S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.809 112.3 50.0 -65.3 -30.5 56.9 25.5 26.9 33 54 A A H 3<5S- 0 0 17 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.483 113.6-117.4 -86.5 -5.2 58.4 23.5 24.0 34 55 A G T <<5S+ 0 0 70 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.2 0.763 76.9 108.5 75.5 27.8 62.0 24.3 25.1 35 56 A I < - 0 0 30 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.1 -0.760 68.6 -99.3-127.9 171.9 62.9 26.2 21.9 36 57 A S > - 0 0 54 -2,-0.2 4,-2.0 -3,-0.1 5,-0.1 -0.473 35.7-107.1 -87.7 163.9 63.6 29.7 20.8 37 58 A R H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.936 119.6 47.4 -52.8 -55.3 61.2 32.1 19.0 38 59 A P H > S+ 0 0 93 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.852 109.5 54.8 -61.5 -32.3 62.9 31.8 15.6 39 60 A T H >> S+ 0 0 58 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.887 104.5 54.8 -65.5 -39.0 63.0 28.0 15.9 40 61 A F H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.9 0.913 103.1 55.6 -55.6 -45.3 59.2 28.1 16.5 41 62 A Y H 3< S+ 0 0 96 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.692 98.1 63.5 -69.0 -17.8 58.7 29.9 13.2 42 63 A F H << S+ 0 0 168 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.878 113.4 33.1 -64.9 -39.4 60.6 27.1 11.4 43 64 A Y H << S+ 0 0 59 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.1 0.826 131.5 18.8 -88.4 -35.5 57.8 24.7 12.4 44 65 A F < - 0 0 10 -4,-2.4 -1,-0.3 1,-0.1 3,-0.1 -1.000 57.4-146.1-140.9 136.3 54.7 27.0 12.3 45 66 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.745 84.5 -7.8 -71.1 -25.4 54.1 30.4 10.7 46 67 A S S > S- 0 0 36 -6,-0.1 4,-0.9 1,-0.1 3,-0.2 -0.969 70.9-100.7-159.5 169.6 51.8 31.5 13.5 47 68 A K H > S+ 0 0 38 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.771 120.8 60.8 -68.0 -26.3 50.0 30.4 16.7 48 69 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 100.2 54.2 -67.1 -35.3 46.8 30.1 14.5 49 70 A A H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.795 104.2 55.7 -67.5 -30.3 48.6 27.5 12.4 50 71 A V H X S+ 0 0 1 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.919 107.5 48.4 -66.3 -45.1 49.3 25.5 15.6 51 72 A L H X S+ 0 0 5 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.894 108.2 54.5 -62.3 -42.7 45.6 25.4 16.5 52 73 A L H X S+ 0 0 50 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.905 108.4 49.0 -57.7 -43.0 44.7 24.3 12.9 53 74 A T H X S+ 0 0 46 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.874 110.3 50.9 -64.9 -39.6 47.2 21.4 13.2 54 75 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.911 111.7 47.8 -62.2 -43.1 45.7 20.4 16.6 55 76 A L H X S+ 0 0 7 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.903 108.0 54.4 -66.8 -41.9 42.2 20.4 15.2 56 77 A D H X S+ 0 0 75 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.872 109.1 49.7 -57.4 -39.1 43.2 18.4 12.2 57 78 A R H X S+ 0 0 97 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.925 113.3 44.7 -65.6 -46.4 44.6 15.7 14.5 58 79 A V H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 113.8 48.6 -67.3 -44.6 41.4 15.6 16.7 59 80 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.875 112.3 49.0 -66.7 -37.0 39.0 15.5 13.7 60 81 A N H X S+ 0 0 50 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.845 107.0 56.2 -71.6 -31.7 41.0 12.7 12.0 61 82 A Q H X S+ 0 0 102 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.925 110.8 44.1 -62.8 -43.5 41.1 10.7 15.2 62 83 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.912 113.5 50.9 -66.0 -42.7 37.3 10.8 15.3 63 84 A D H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 109.9 49.0 -64.3 -42.8 37.0 10.0 11.6 64 85 A M H X S+ 0 0 120 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.875 110.6 51.2 -65.0 -38.0 39.3 7.0 11.8 65 86 A A H X S+ 0 0 37 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.919 110.0 49.0 -65.0 -42.7 37.4 5.7 14.8 66 87 A L H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 109.3 53.4 -63.2 -39.6 34.1 6.0 12.9 67 88 A Q H X S+ 0 0 78 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.886 107.2 51.5 -60.0 -40.2 35.7 4.2 9.9 68 89 A T H X S+ 0 0 85 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.915 111.5 47.1 -64.5 -41.6 36.7 1.3 12.2 69 90 A L H < S+ 0 0 56 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.895 112.5 49.3 -66.7 -40.0 33.1 1.0 13.5 70 91 A A H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 103.5 60.9 -70.6 -29.4 31.7 1.1 10.0 71 92 A E H < S+ 0 0 144 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.763 94.5 71.8 -74.5 -28.8 34.0 -1.5 8.6 72 93 A N S < S- 0 0 91 -4,-0.9 0, 0.0 -3,-0.4 0, 0.0 -0.530 81.6-130.9 -82.2 154.7 32.8 -4.2 11.0 73 94 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.913 62.6 133.1 -65.9 -42.1 29.4 -5.9 10.6 74 95 A A + 0 0 77 1,-0.1 2,-0.1 -3,-0.0 -2,-0.1 0.359 15.9 135.1 -18.7 116.5 28.7 -5.3 14.4 75 96 A D - 0 0 103 9,-0.0 3,-0.1 7,-0.0 -1,-0.1 -0.518 24.5-177.6-173.1 98.4 25.2 -3.9 15.0 76 97 A T - 0 0 104 1,-0.2 2,-0.1 -2,-0.1 0, 0.0 0.738 67.0 -13.6 -69.4-121.2 22.8 -5.2 17.7 77 98 A D S > S- 0 0 105 1,-0.1 4,-1.7 4,-0.0 3,-0.3 -0.445 80.2-102.5 -77.2 163.3 19.4 -3.5 17.9 78 99 A R H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.834 118.9 55.3 -56.4 -37.2 19.0 -0.3 15.9 79 100 A E H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 107.3 48.1 -65.4 -44.3 19.2 1.9 19.0 80 101 A N H > S+ 0 0 67 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.843 106.0 59.3 -65.9 -34.5 22.6 0.5 20.1 81 102 A M H X S+ 0 0 45 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.942 110.5 40.9 -57.3 -50.4 24.0 0.9 16.6 82 103 A W H X S+ 0 0 17 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.899 113.3 54.5 -67.9 -40.2 23.4 4.7 16.6 83 104 A R H X S+ 0 0 55 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.912 106.2 51.2 -59.8 -44.0 24.5 5.1 20.2 84 105 A T H X S+ 0 0 57 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.886 113.2 46.8 -63.1 -37.1 27.9 3.4 19.5 85 106 A G H >X S+ 0 0 16 -4,-1.5 3,-1.0 2,-0.2 4,-0.7 0.932 111.5 47.4 -69.0 -49.4 28.4 5.8 16.6 86 107 A I H >X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 3,-0.9 0.883 104.9 64.1 -61.7 -34.8 27.4 9.0 18.4 87 108 A N H 3X S+ 0 0 55 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.762 89.4 66.5 -60.2 -28.6 29.7 7.9 21.2 88 109 A V H S+ 0 0 26 -3,-0.9 4,-1.9 -4,-0.7 5,-0.6 0.880 113.7 54.5 -75.9 -42.2 32.2 11.9 18.8 90 111 A F H X5S+ 0 0 30 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.929 117.3 37.1 -53.4 -48.2 31.2 12.2 22.5 91 112 A E H X5S+ 0 0 99 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.883 118.4 47.5 -77.6 -38.7 34.5 10.5 23.5 92 113 A T H <5S+ 0 0 13 -4,-2.0 3,-0.5 -5,-0.3 4,-0.2 0.969 121.5 32.8 -70.6 -53.3 36.9 11.9 21.0 93 114 A F H ><5S+ 0 0 4 -4,-1.9 3,-1.2 1,-0.2 7,-0.3 0.842 116.1 58.8 -73.0 -31.6 35.9 15.6 21.2 94 115 A G H 3< + 0 0 35 -3,-1.2 4,-2.0 -4,-0.2 -1,-0.2 -0.394 69.8 150.7-137.8 56.2 40.1 17.2 23.8 97 118 A K H > S+ 0 0 83 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.814 70.4 52.7 -62.0 -37.7 37.7 19.9 25.1 98 119 A A H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 111.7 45.1 -67.9 -44.2 40.2 22.8 24.9 99 120 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.884 113.6 52.5 -63.7 -39.9 41.0 22.2 21.3 100 121 A T H X S+ 0 0 9 -4,-2.0 4,-1.8 -7,-0.3 -2,-0.2 0.921 111.1 45.0 -63.1 -47.5 37.3 21.8 20.6 101 122 A R H X S+ 0 0 156 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.899 114.4 48.2 -64.1 -43.9 36.3 25.1 22.2 102 123 A A H X S+ 0 0 17 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.873 109.7 54.2 -66.6 -36.2 39.2 27.0 20.5 103 124 A G H X S+ 0 0 4 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.867 107.5 48.6 -66.9 -39.5 38.3 25.5 17.1 104 125 A Q H >< S+ 0 0 55 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.902 112.0 49.1 -66.7 -41.4 34.7 26.6 17.2 105 126 A A H 3< S+ 0 0 74 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.772 109.6 53.4 -68.1 -26.7 35.6 30.1 18.2 106 127 A A H 3X S+ 0 0 13 -4,-1.4 4,-1.8 1,-0.2 3,-0.5 0.605 87.4 80.9 -84.6 -14.4 38.2 30.2 15.4 107 128 A R T << S+ 0 0 89 -3,-0.7 7,-0.2 -4,-0.7 -1,-0.2 0.824 90.6 52.4 -61.9 -32.2 35.6 29.2 12.7 108 129 A A T 4 S+ 0 0 97 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.793 120.2 32.2 -72.7 -29.8 34.3 32.8 12.5 109 130 A T T 4 S+ 0 0 126 -3,-0.5 2,-0.5 -4,-0.3 -2,-0.2 0.546 113.1 62.6-105.1 -11.7 37.8 34.3 11.9 110 131 A S X - 0 0 24 -4,-1.8 4,-2.0 1,-0.1 -1,-0.2 -0.957 50.3-168.9-128.2 114.2 39.6 31.5 10.0 111 132 A V H > S+ 0 0 103 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.798 93.4 59.2 -64.2 -30.0 38.6 30.2 6.5 112 133 A E H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 108.1 42.9 -67.7 -40.7 41.1 27.3 7.1 113 134 A V H > S+ 0 0 4 -7,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 113.7 51.7 -71.9 -42.9 39.3 26.1 10.2 114 135 A A H X S+ 0 0 34 -4,-2.0 4,-2.4 -8,-0.3 -2,-0.2 0.908 111.1 48.6 -57.4 -43.6 35.8 26.6 8.7 115 136 A E H X S+ 0 0 135 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.854 110.3 50.6 -68.3 -37.4 36.9 24.6 5.6 116 137 A L H X S+ 0 0 19 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.940 113.6 44.7 -64.3 -47.4 38.4 21.7 7.7 117 138 A W H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.907 112.2 52.6 -64.6 -41.3 35.2 21.4 9.8 118 139 A S H X S+ 0 0 55 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.909 106.2 53.9 -60.8 -44.3 33.0 21.6 6.7 119 140 A T H X S+ 0 0 84 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.913 113.2 41.4 -58.0 -46.3 34.9 18.8 5.0 120 141 A F H X S+ 0 0 24 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.888 111.8 54.0 -74.8 -36.3 34.4 16.4 7.8 121 142 A M H X S+ 0 0 17 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.902 107.4 52.9 -62.7 -39.9 30.8 17.3 8.6 122 143 A Q H X S+ 0 0 123 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.930 110.7 47.6 -58.1 -44.6 30.0 16.6 4.9 123 144 A K H X S+ 0 0 98 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.919 114.1 45.5 -62.8 -44.9 31.6 13.2 5.3 124 145 A W H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.868 113.6 48.8 -71.1 -38.6 29.7 12.3 8.5 125 146 A I H X S+ 0 0 14 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.915 110.1 52.2 -65.7 -43.8 26.4 13.6 7.2 126 147 A A H X S+ 0 0 49 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.903 110.8 47.8 -60.3 -40.2 26.8 11.6 4.0 127 148 A Y H X S+ 0 0 97 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.926 110.9 51.1 -66.4 -45.1 27.5 8.4 6.0 128 149 A T H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.931 110.2 49.2 -55.5 -47.4 24.5 9.0 8.3 129 150 A A H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.857 108.2 54.3 -64.5 -35.0 22.2 9.5 5.2 130 151 A A H X S+ 0 0 53 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.881 108.8 47.6 -66.4 -39.5 23.6 6.2 3.7 131 152 A V H X S+ 0 0 22 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 111.2 50.8 -69.2 -42.9 22.7 4.2 6.9 132 153 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.926 109.8 51.7 -56.7 -45.4 19.2 5.7 7.0 133 154 A D H X S+ 0 0 70 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.865 108.6 50.3 -59.3 -40.0 18.8 4.8 3.4 134 155 A A H X S+ 0 0 50 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.862 108.9 52.0 -68.3 -37.5 19.8 1.2 4.1 135 156 A E H <>S+ 0 0 11 -4,-2.2 5,-1.8 1,-0.2 6,-1.3 0.875 110.8 48.0 -64.7 -37.7 17.3 1.0 7.0 136 157 A R H ><5S+ 0 0 19 -4,-2.1 3,-0.9 4,-0.2 -2,-0.2 0.884 108.4 54.8 -70.2 -37.7 14.6 2.2 4.6 137 158 A D H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 108.5 48.0 -63.8 -35.3 15.6 -0.3 2.0 138 159 A R T 3<5S- 0 0 166 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.441 118.4-109.6 -90.2 -0.5 15.3 -3.3 4.4 139 160 A G T < 5S+ 0 0 68 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.476 89.9 110.6 91.5 5.5 11.9 -2.1 5.7 140 161 A A S - 0 0 68 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.397 44.2-131.2 -48.9 125.2 14.6 13.3 2.6 147 168 A A H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.839 102.9 51.1 -57.0 -40.2 17.4 11.2 4.3 148 169 A H H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 111.5 47.9 -68.8 -35.3 20.2 13.8 3.6 149 170 A E H > S+ 0 0 129 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.915 113.1 47.6 -70.7 -43.5 18.1 16.6 5.1 150 171 A L H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 112.3 50.7 -59.2 -45.6 17.2 14.6 8.1 151 172 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.868 108.2 53.1 -62.5 -37.7 20.9 13.6 8.5 152 173 A T H X S+ 0 0 44 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.955 110.8 44.6 -63.3 -51.9 22.0 17.3 8.2 153 174 A A H X S+ 0 0 62 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.889 113.8 50.2 -62.6 -38.5 19.7 18.5 11.0 154 175 A L H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.883 112.8 46.1 -68.7 -38.7 20.6 15.6 13.3 155 176 A N H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.871 112.3 50.2 -71.6 -37.3 24.4 16.1 12.9 156 177 A L H X S+ 0 0 87 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.876 109.2 53.1 -67.4 -37.6 24.1 19.9 13.4 157 178 A M H X S+ 0 0 43 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.937 109.5 48.4 -56.5 -48.8 22.1 19.2 16.6 158 179 A N H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.898 110.9 51.0 -62.0 -42.0 24.9 16.9 17.8 159 180 A E H X S+ 0 0 25 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.969 116.8 37.7 -57.1 -56.0 27.6 19.5 17.0 160 181 A R H X S+ 0 0 128 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.894 120.9 45.5 -67.8 -40.3 25.8 22.4 18.8 161 182 A T H X S+ 0 0 32 -4,-2.7 4,-2.0 -5,-0.3 12,-0.3 0.917 114.0 46.2 -73.2 -46.3 24.6 20.2 21.7 162 183 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.941 115.8 46.5 -61.0 -45.8 27.8 18.3 22.4 163 184 A F H X S+ 0 0 16 -4,-2.0 4,-2.0 -5,-0.4 -2,-0.2 0.870 110.7 51.6 -71.9 -32.5 29.9 21.4 22.3 164 185 A A H X>S+ 0 0 6 -4,-1.9 5,-2.1 -5,-0.2 4,-0.6 0.902 111.8 48.9 -65.1 -39.3 27.5 23.4 24.5 165 186 A S H ><5S+ 0 0 8 -4,-2.0 3,-0.6 1,-0.2 10,-0.3 0.910 111.9 47.2 -66.6 -42.8 27.7 20.5 27.0 166 187 A F H 3<5S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.1 47.5 -66.9 -38.5 31.5 20.4 27.0 167 188 A A H 3<5S- 0 0 24 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.511 107.6-125.4 -80.8 -6.9 31.9 24.1 27.3 168 189 A G T <<5 + 0 0 57 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.836 47.9 172.7 63.4 33.8 29.4 24.3 30.2 169 190 A E < - 0 0 73 -5,-2.1 -1,-0.1 -6,-0.2 -5,-0.0 -0.277 35.5-100.1 -67.4 154.2 27.3 26.9 28.4 170 191 A Q S S+ 0 0 194 1,-0.2 2,-0.1 -2,-0.0 3,-0.0 -0.986 112.1 39.4-113.5 117.1 23.9 28.0 29.7 171 192 A P S S+ 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.455 92.0 124.7 -87.1 156.0 21.8 26.6 28.2 172 193 A S - 0 0 54 -2,-0.1 -11,-0.1 -4,-0.1 -10,-0.1 -0.968 58.6-108.6-162.0 157.4 23.1 23.1 27.8 173 194 A V - 0 0 36 -12,-0.3 -5,-0.1 -2,-0.3 5,-0.1 -0.722 52.5 -99.4 -80.1 136.7 22.3 19.4 28.5 174 195 A P >> - 0 0 84 0, 0.0 3,-2.3 0, 0.0 4,-0.9 -0.330 29.8-119.7 -55.8 140.8 24.5 18.0 31.3 175 196 A E H >> S+ 0 0 70 -10,-0.3 3,-0.7 1,-0.3 4,-0.5 0.859 113.5 56.3 -51.8 -39.2 27.4 16.0 29.9 176 197 A A H 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.512 114.3 39.5 -74.2 -3.7 26.2 12.8 31.7 177 198 A R H <> S+ 0 0 126 -3,-2.3 4,-1.8 2,-0.1 -1,-0.2 0.441 90.1 88.7-116.5 -9.0 22.8 13.1 29.9 178 199 A V H S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 113.6 51.5 -59.0 -39.7 20.8 9.5 26.0 181 202 A T H X S+ 0 0 42 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.957 113.3 42.3 -66.1 -50.5 19.2 12.7 24.8 182 203 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 112.5 53.1 -63.3 -46.3 20.7 12.7 21.3 183 204 A V H X S+ 0 0 1 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.905 107.6 52.4 -58.9 -43.1 20.1 8.9 20.8 184 205 A H H X S+ 0 0 121 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.924 111.7 45.6 -55.6 -48.6 16.4 9.3 21.7 185 206 A I H X S+ 0 0 59 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.897 114.3 48.5 -67.0 -38.9 16.0 12.1 19.1 186 207 A W H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.956 114.9 44.0 -64.3 -50.7 17.9 10.2 16.4 187 208 A V H X S+ 0 0 17 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.907 115.8 46.1 -65.9 -43.3 15.9 7.0 16.9 188 209 A T H X S+ 0 0 65 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.922 116.5 44.6 -66.7 -41.8 12.5 8.5 17.1 189 210 A S H < S+ 0 0 40 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.796 118.0 44.0 -74.5 -26.2 13.0 10.8 14.1 190 211 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 127.6 26.2 -83.2 -42.2 14.6 8.0 12.0 191 212 A Y H < S+ 0 0 21 -4,-2.4 2,-0.2 -5,-0.2 -2,-0.2 0.537 100.7 102.5-101.8 -6.0 12.1 5.2 12.8 192 213 A G < 0 0 32 -4,-1.5 -48,-0.1 -5,-0.3 -4,-0.0 -0.519 360.0 360.0 -86.8 141.6 9.0 7.3 13.6 193 214 A E 0 0 155 -2,-0.2 -2,-0.1 -49,-0.1 -1,-0.1 -0.580 360.0 360.0 -93.8 360.0 6.1 7.8 11.3