==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 10-AUG-04 1U9N . COMPND 2 MOLECULE: TRANSCRIPTIONAL REPRESSOR ETHR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.FRENOIS,J.ENGOHANG-NDONG,C.LOCHT,A.R.BAULARD,V.VILLERET . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 77.3 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 65.5 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 1 0 0 0 1 0 1 0 0 0 1 0 0 2 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,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 18.3 -1.7 77.8 11.0 2 23 A D H > + 0 0 113 1,-0.2 4,-3.8 2,-0.2 5,-0.4 0.941 360.0 57.3 -58.6 -49.5 1.5 76.1 9.9 3 24 A D H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 111.1 41.0 -48.0 -52.7 0.6 76.4 6.2 4 25 A R H > S+ 0 0 116 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.830 116.8 48.8 -69.4 -32.3 0.2 80.2 6.4 5 26 A E H X S+ 0 0 56 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.924 114.7 44.7 -72.0 -44.1 3.3 80.6 8.5 6 27 A L H X S+ 0 0 88 -4,-3.8 4,-3.1 1,-0.2 5,-0.2 0.842 111.3 54.9 -66.2 -33.5 5.3 78.4 6.2 7 28 A A H X S+ 0 0 32 -4,-2.1 4,-1.8 -5,-0.4 -1,-0.2 0.816 108.0 48.7 -68.9 -31.8 3.8 80.3 3.3 8 29 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.894 113.7 47.3 -72.1 -41.3 5.0 83.5 4.8 9 30 A L H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.934 113.4 46.2 -64.5 -49.7 8.5 82.0 5.3 10 31 A A H X S+ 0 0 48 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.920 112.2 51.7 -60.9 -44.9 8.7 80.6 1.8 11 32 A T H X S+ 0 0 17 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.942 111.7 47.2 -57.0 -48.8 7.4 83.9 0.3 12 33 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.925 111.7 48.7 -60.7 -46.7 10.1 85.8 2.2 13 34 A E H < S+ 0 0 45 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.900 112.4 50.9 -61.4 -38.3 12.9 83.4 1.2 14 35 A N H >< S+ 0 0 107 -4,-2.6 3,-1.5 -5,-0.2 4,-0.3 0.964 113.1 42.7 -62.8 -54.7 11.8 83.7 -2.4 15 36 A L H >X S+ 0 0 36 -4,-2.6 3,-3.0 1,-0.3 4,-1.7 0.905 103.9 64.9 -59.7 -43.9 11.7 87.5 -2.5 16 37 A L T 3< S+ 0 0 6 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.616 90.1 71.2 -55.6 -10.3 15.0 87.8 -0.6 17 38 A E T <4 S+ 0 0 107 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.755 108.8 30.4 -77.1 -25.5 16.5 86.1 -3.7 18 39 A D T <4 S+ 0 0 130 -3,-3.0 -2,-0.2 -4,-0.3 -1,-0.1 0.706 128.7 7.6-105.3 -29.1 15.9 89.3 -5.7 19 40 A R S < S- 0 0 75 -4,-1.7 -1,-0.3 2,-0.0 5,-0.0 -0.979 78.2 -85.9-152.7 165.1 16.2 92.1 -3.2 20 41 A P > - 0 0 75 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.276 44.2-107.4 -70.1 157.5 17.1 93.1 0.4 21 42 A L G > S+ 0 0 25 1,-0.3 3,-2.9 2,-0.2 26,-0.0 0.885 118.4 64.8 -50.8 -43.8 14.6 92.9 3.2 22 43 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.772 101.7 50.1 -52.2 -29.4 14.4 96.7 3.3 23 44 A D G < S+ 0 0 106 -3,-1.8 2,-0.4 2,-0.1 -1,-0.3 0.242 98.4 84.0 -94.9 11.9 12.9 96.5 -0.2 24 45 A I < - 0 0 2 -3,-2.9 2,-0.2 -4,-0.1 23,-0.1 -0.963 66.3-154.7-117.5 131.4 10.3 93.9 0.8 25 46 A S > - 0 0 48 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.625 29.0-115.5-103.5 162.8 7.1 95.0 2.5 26 47 A V H > S+ 0 0 11 1,-0.2 4,-2.6 -2,-0.2 5,-0.1 0.843 118.8 56.9 -62.5 -32.9 4.7 93.2 4.8 27 48 A D H > S+ 0 0 63 2,-0.2 4,-4.7 1,-0.2 5,-0.4 0.924 103.3 53.0 -63.6 -44.4 2.1 93.4 2.1 28 49 A D H > S+ 0 0 49 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.964 113.2 43.1 -53.4 -54.2 4.5 91.6 -0.3 29 50 A L H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.876 117.2 49.0 -58.6 -38.9 4.8 88.8 2.3 30 51 A A H X>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 4,-0.9 0.969 113.6 42.8 -66.3 -56.6 1.1 89.0 2.9 31 52 A K H ><5S+ 0 0 156 -4,-4.7 3,-0.9 1,-0.2 -2,-0.2 0.905 112.8 55.9 -56.2 -41.9 0.1 88.8 -0.8 32 53 A G H 3<5S+ 0 0 45 -4,-3.2 -1,-0.2 -5,-0.4 -2,-0.2 0.835 111.7 41.8 -60.8 -33.4 2.7 86.1 -1.3 33 54 A A H 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.490 113.8-117.3 -92.4 -3.8 1.1 84.0 1.4 34 55 A G T <<5S+ 0 0 69 -3,-0.9 2,-0.3 -4,-0.9 -3,-0.2 0.836 77.4 109.3 72.3 33.6 -2.4 84.8 0.3 35 56 A I S - 0 0 56 -2,-0.3 4,-1.3 -3,-0.1 3,-0.1 -0.464 36.3-109.9 -86.5 163.0 -4.2 90.1 4.4 37 58 A R H >> S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.927 118.4 47.9 -58.8 -48.5 -1.7 92.5 5.9 38 59 A P H 34 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.841 107.7 57.0 -64.4 -28.7 -3.2 92.6 9.4 39 60 A T H >4 S+ 0 0 35 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.787 97.6 62.4 -70.4 -27.0 -3.5 88.8 9.3 40 61 A F H XX S+ 0 0 0 -4,-1.3 3,-3.2 -3,-0.6 4,-1.9 0.953 94.2 61.4 -60.4 -47.8 0.3 88.6 8.8 41 62 A Y T 3< S+ 0 0 97 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.458 91.3 70.8 -59.0 1.5 0.8 90.3 12.1 42 63 A F T <4 S+ 0 0 173 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.646 110.2 28.1 -90.9 -20.9 -1.0 87.2 13.5 43 64 A Y T <4 S+ 0 0 52 -3,-3.2 -2,-0.2 1,-0.4 -3,-0.1 0.688 131.3 22.2-110.3 -31.2 2.1 85.1 12.8 44 65 A F < - 0 0 11 -4,-1.9 -1,-0.4 1,-0.1 3,-0.1 -0.998 57.4-143.9-142.4 143.0 4.9 87.6 13.0 45 66 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.686 86.7 -9.3 -76.9 -18.5 5.4 91.0 14.7 46 67 A S > - 0 0 33 -6,-0.1 4,-0.8 1,-0.1 3,-0.0 -0.976 68.5-102.5-167.2 170.6 7.5 92.2 11.8 47 68 A K H > S+ 0 0 37 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 0.816 120.8 60.2 -73.4 -30.5 9.3 91.2 8.6 48 69 A E H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.831 101.6 54.5 -63.8 -31.5 12.5 91.4 10.5 49 70 A A H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.799 104.5 54.2 -71.8 -28.9 11.0 88.7 12.7 50 71 A V H X S+ 0 0 1 -4,-0.8 4,-2.3 -3,-0.3 -2,-0.2 0.929 108.3 47.5 -70.1 -46.3 10.4 86.6 9.6 51 72 A L H X S+ 0 0 6 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.906 109.4 55.0 -60.7 -42.0 14.0 86.7 8.5 52 73 A L H X S+ 0 0 47 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.934 109.0 47.1 -56.8 -47.7 15.1 85.8 12.1 53 74 A T H X S+ 0 0 33 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.893 111.2 52.6 -61.3 -39.8 12.9 82.7 11.9 54 75 A L H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.931 111.7 44.4 -61.7 -46.6 14.4 81.9 8.5 55 76 A L H X S+ 0 0 7 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.903 110.8 55.4 -64.6 -41.4 17.9 82.2 9.8 56 77 A D H X S+ 0 0 62 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.846 108.3 48.5 -60.9 -34.3 17.0 80.2 12.9 57 78 A R H X S+ 0 0 113 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.900 113.8 45.4 -72.8 -42.0 15.7 77.4 10.6 58 79 A V H X S+ 0 0 6 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.927 113.6 49.8 -67.1 -44.0 18.8 77.3 8.5 59 80 A V H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.909 112.8 45.9 -60.5 -45.5 21.2 77.5 11.5 60 81 A N H X S+ 0 0 53 -4,-1.8 4,-3.2 -5,-0.2 -1,-0.2 0.839 108.3 57.1 -68.6 -32.3 19.4 74.6 13.3 61 82 A Q H X S+ 0 0 98 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.912 110.0 44.3 -64.3 -42.8 19.3 72.5 10.1 62 83 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.934 114.7 49.8 -66.2 -45.2 23.1 72.8 9.9 63 84 A D H X S+ 0 0 22 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 111.4 47.6 -59.9 -46.2 23.4 72.1 13.6 64 85 A X H X S+ 0 0 131 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.883 111.4 51.6 -62.4 -39.4 21.2 69.0 13.3 65 86 A A H X S+ 0 0 33 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.903 110.9 47.0 -64.0 -43.4 23.1 67.7 10.3 66 87 A L H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.901 110.0 54.3 -64.5 -39.9 26.4 68.1 12.2 67 88 A Q H X S+ 0 0 102 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.865 105.5 53.6 -61.3 -36.2 24.8 66.4 15.1 68 89 A T H X S+ 0 0 81 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.902 109.4 47.5 -65.8 -42.0 23.8 63.5 12.8 69 90 A L H < S+ 0 0 49 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.896 107.7 56.2 -65.6 -41.1 27.5 63.1 11.7 70 91 A A H < S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.931 114.1 39.7 -55.9 -46.8 28.7 63.2 15.3 71 92 A E H < S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.849 125.4 37.5 -71.9 -36.6 26.4 60.3 16.1 72 93 A N S < S- 0 0 107 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.706 79.5-176.2-119.9 79.4 27.1 58.4 12.8 73 94 A P - 0 0 89 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.841 24.7-117.5 -37.8-115.7 30.8 59.0 12.0 74 95 A A - 0 0 56 2,-0.1 2,-1.4 10,-0.0 10,-0.1 -0.356 16.2-109.8 159.6 117.0 32.0 57.6 8.6 75 96 A D S S+ 0 0 180 -2,-0.1 2,-0.3 6,-0.0 0, 0.0 -0.426 78.9 98.1 -63.4 91.5 34.6 54.9 7.8 76 97 A T S S- 0 0 60 -2,-1.4 -2,-0.1 1,-0.0 5,-0.0 -0.952 74.3 -70.3-162.9 177.3 37.3 57.1 6.3 77 98 A D > - 0 0 93 -2,-0.3 4,-1.7 1,-0.1 3,-0.1 -0.154 50.4-100.0 -73.7 173.2 40.6 58.9 6.9 78 99 A R H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.811 120.5 56.9 -64.9 -32.2 41.0 62.0 9.1 79 100 A E H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 109.4 45.1 -66.3 -42.4 41.1 64.4 6.1 80 101 A N H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.814 105.6 62.2 -69.9 -31.9 37.7 63.1 5.0 81 102 A X H X S+ 0 0 81 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.942 109.1 41.2 -58.4 -48.5 36.3 63.3 8.5 82 103 A W H X S+ 0 0 16 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.871 111.8 56.2 -68.4 -37.5 36.9 67.1 8.5 83 104 A R H X S+ 0 0 57 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.910 107.0 48.8 -61.0 -44.1 35.7 67.5 5.0 84 105 A T H X S+ 0 0 40 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.882 112.3 49.5 -64.4 -37.7 32.3 65.9 5.8 85 106 A G H >X S+ 0 0 16 -4,-1.5 4,-0.7 -5,-0.2 3,-0.5 0.935 114.4 43.3 -66.4 -46.4 32.0 68.2 8.8 86 107 A I H >X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.2 3,-0.9 0.865 106.6 62.7 -66.2 -36.7 32.8 71.3 6.8 87 108 A N H 3X S+ 0 0 54 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.783 90.4 68.0 -59.1 -30.0 30.5 70.1 4.0 88 109 A V H S+ 0 0 30 -3,-0.9 4,-2.0 -4,-0.7 5,-0.6 0.864 115.0 53.4 -79.4 -39.3 27.9 74.1 6.4 90 111 A F H X5S+ 0 0 30 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.917 118.6 38.0 -60.8 -42.3 29.0 74.6 2.8 91 112 A E H X5S+ 0 0 95 -4,-2.9 4,-0.9 -5,-0.2 -2,-0.2 0.921 117.2 47.8 -77.5 -46.2 25.9 72.6 1.7 92 113 A T H <5S+ 0 0 11 -4,-2.1 3,-0.4 -5,-0.4 -3,-0.2 0.956 124.0 30.5 -61.8 -53.6 23.3 73.9 4.2 93 114 A F H ><5S+ 0 0 13 -4,-2.0 3,-1.4 1,-0.2 7,-0.3 0.796 115.4 60.9 -77.2 -27.6 24.1 77.6 3.9 94 115 A G H 3< + 0 0 39 -3,-1.4 4,-2.1 1,-0.1 -1,-0.2 -0.313 66.0 149.6-145.7 53.4 20.2 79.1 1.2 97 118 A K H > S+ 0 0 53 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.880 71.6 54.2 -57.1 -44.2 22.3 82.0 -0.1 98 119 A A H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 112.2 43.1 -58.7 -47.3 19.5 84.6 0.1 99 120 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.847 113.5 53.2 -67.7 -35.7 18.8 84.0 3.8 100 121 A T H X S+ 0 0 18 -4,-2.1 4,-2.1 -7,-0.3 -2,-0.2 0.941 112.9 43.4 -64.9 -47.0 22.5 83.8 4.6 101 122 A R H X S+ 0 0 82 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.970 117.3 44.7 -61.9 -55.1 23.1 87.2 2.9 102 123 A A H X S+ 0 0 15 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.903 112.0 54.3 -55.9 -44.1 20.1 88.8 4.5 103 124 A G H X S+ 0 0 4 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.893 109.0 47.7 -58.9 -40.7 20.9 87.2 7.8 104 125 A Q H >< S+ 0 0 102 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.948 111.2 49.7 -66.3 -46.8 24.4 88.7 7.7 105 126 A A H 3< S+ 0 0 66 -4,-2.5 3,-0.4 1,-0.2 4,-0.2 0.732 107.3 57.6 -63.7 -22.0 23.2 92.2 6.8 106 127 A A H >X S+ 0 0 16 -4,-1.5 3,-1.7 -5,-0.2 4,-1.5 0.769 84.9 78.7 -80.2 -27.3 20.7 92.0 9.7 107 128 A R T << S+ 0 0 144 -4,-1.0 7,-0.2 -3,-0.8 -1,-0.2 0.788 84.5 64.1 -50.7 -33.7 23.3 91.4 12.4 108 129 A A T 34 S+ 0 0 89 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.794 119.6 20.5 -64.2 -29.6 24.1 95.1 12.4 109 130 A T T <4 S+ 0 0 131 -3,-1.7 2,-0.5 -4,-0.2 -2,-0.2 0.385 113.4 74.1-121.6 1.7 20.6 96.1 13.6 110 131 A S X - 0 0 18 -4,-1.5 4,-2.5 1,-0.1 -1,-0.1 -0.915 44.9-176.4-124.7 108.6 19.3 92.9 15.2 111 132 A V H > S+ 0 0 88 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.771 90.9 61.8 -68.4 -24.5 20.6 91.7 18.5 112 133 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.953 108.6 40.8 -63.3 -49.8 18.3 88.6 18.0 113 134 A V H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.929 115.5 51.0 -63.2 -47.8 20.3 87.7 14.9 114 135 A A H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 113.6 43.8 -56.9 -48.7 23.6 88.6 16.5 115 136 A E H X S+ 0 0 126 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.826 111.9 53.6 -67.8 -34.3 22.9 86.5 19.6 116 137 A L H X S+ 0 0 21 -4,-2.0 4,-1.7 -5,-0.2 5,-0.2 0.960 113.5 42.1 -64.6 -50.2 21.6 83.6 17.5 117 138 A W H X S+ 0 0 53 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.903 114.5 51.9 -63.2 -42.0 24.7 83.4 15.4 118 139 A S H X S+ 0 0 53 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.908 107.2 53.0 -61.4 -44.2 27.0 83.9 18.4 119 140 A T H X S+ 0 0 72 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.904 113.8 40.4 -61.3 -45.0 25.4 81.1 20.3 120 141 A F H X S+ 0 0 16 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.863 111.4 56.5 -74.6 -33.8 25.8 78.5 17.6 121 142 A X H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.913 108.7 47.8 -60.9 -43.9 29.3 79.6 16.6 122 143 A Q H X S+ 0 0 120 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.901 113.3 50.0 -61.9 -39.8 30.4 79.1 20.2 123 144 A K H X S+ 0 0 90 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.913 112.8 44.2 -65.2 -44.5 28.6 75.7 19.9 124 145 A W H X S+ 0 0 7 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.798 113.7 51.7 -72.9 -27.1 30.4 74.8 16.7 125 146 A I H X S+ 0 0 13 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.912 107.7 51.7 -74.4 -41.6 33.7 76.0 18.0 126 147 A A H X S+ 0 0 50 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.889 111.0 48.5 -61.6 -38.6 33.3 73.9 21.2 127 148 A Y H X S+ 0 0 92 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.921 109.8 50.5 -68.0 -44.4 32.7 70.8 19.1 128 149 A T H X S+ 0 0 10 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.901 111.4 49.9 -58.6 -41.6 35.7 71.4 16.8 129 150 A A H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.865 108.7 52.1 -65.8 -37.3 37.8 71.8 19.9 130 151 A A H X S+ 0 0 52 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.912 111.0 46.8 -66.1 -43.6 36.5 68.6 21.3 131 152 A V H X S+ 0 0 21 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.932 112.9 49.3 -64.5 -44.2 37.3 66.7 18.2 132 153 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 113.1 48.0 -59.7 -44.4 40.8 68.3 18.1 133 154 A D H X S+ 0 0 68 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.909 111.4 48.8 -61.9 -44.5 41.3 67.3 21.7 134 155 A A H X S+ 0 0 52 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.910 111.2 51.8 -62.0 -40.3 40.1 63.8 21.1 135 156 A E H <>S+ 0 0 7 -4,-2.8 5,-1.7 1,-0.2 6,-1.3 0.902 111.5 46.1 -63.1 -40.9 42.4 63.7 18.2 136 157 A R H ><5S+ 0 0 18 -4,-2.4 3,-1.5 4,-0.2 -2,-0.2 0.906 108.2 56.9 -68.8 -40.4 45.3 64.8 20.4 137 158 A D H 3<5S+ 0 0 116 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.888 105.9 49.6 -56.8 -43.0 44.4 62.3 23.1 138 159 A R T 3<5S- 0 0 157 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.455 118.9-110.9 -78.5 -0.5 44.7 59.4 20.8 139 160 A G T < 5S+ 0 0 64 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.520 89.5 111.8 85.3 5.9 48.1 60.6 19.6 140 161 A A S - 0 0 69 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.454 45.3-128.8 -59.5 131.0 45.4 75.7 22.6 147 168 A A H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 103.2 50.3 -50.3 -45.2 42.6 73.6 20.9 148 169 A H H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 111.2 47.5 -67.6 -35.1 39.9 76.2 21.5 149 170 A E H > S+ 0 0 127 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.875 113.3 48.6 -73.6 -36.6 41.8 79.1 20.1 150 171 A L H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.945 112.2 49.8 -64.7 -46.4 42.8 77.1 17.1 151 172 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.867 108.0 53.7 -59.3 -40.4 39.1 76.0 16.6 152 173 A T H X S+ 0 0 42 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.949 110.3 45.2 -61.3 -51.1 37.9 79.6 16.9 153 174 A A H X S+ 0 0 59 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.899 114.2 48.8 -60.2 -45.0 40.2 81.0 14.2 154 175 A L H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.909 113.9 46.8 -62.2 -43.6 39.4 78.1 11.8 155 176 A N H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 111.9 49.8 -66.1 -42.8 35.6 78.5 12.4 156 177 A L H X S+ 0 0 86 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.863 108.9 54.1 -65.2 -34.4 35.8 82.3 11.9 157 178 A X H X S+ 0 0 51 -4,-2.2 4,-3.5 -5,-0.2 5,-0.3 0.953 109.4 47.1 -63.1 -48.8 37.8 81.7 8.7 158 179 A N H X S+ 0 0 14 -4,-2.2 4,-2.9 1,-0.2 5,-0.5 0.914 109.9 53.2 -58.4 -45.4 35.0 79.4 7.4 159 180 A E H X S+ 0 0 75 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.942 119.1 34.7 -54.6 -50.4 32.3 81.9 8.4 160 181 A R H X S+ 0 0 126 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 121.1 46.3 -72.4 -46.5 34.0 84.7 6.4 161 182 A T H X S+ 0 0 33 -4,-3.5 4,-2.2 -5,-0.2 12,-0.3 0.921 113.4 47.5 -65.7 -46.3 35.4 82.6 3.6 162 183 A L H X S+ 0 0 14 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.931 113.5 49.1 -62.0 -44.1 32.2 80.7 2.9 163 184 A F H X S+ 0 0 28 -4,-1.5 4,-2.4 -5,-0.5 6,-0.2 0.943 109.6 51.4 -60.3 -47.6 30.1 83.9 3.0 164 185 A A H X>S+ 0 0 7 -4,-2.4 5,-2.6 1,-0.2 4,-0.6 0.908 113.8 44.9 -56.4 -42.7 32.5 85.7 0.6 165 186 A S H <5S+ 0 0 8 -4,-2.2 3,-0.5 2,-0.2 10,-0.4 0.888 112.7 49.4 -68.6 -42.1 32.3 82.7 -1.9 166 187 A F H <5S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 115.4 45.1 -66.6 -32.7 28.5 82.4 -1.6 167 188 A A H <5S- 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.519 107.9-124.6 -89.5 -6.3 28.1 86.2 -2.2 168 189 A G T <5 - 0 0 59 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.858 47.2-179.4 65.7 35.3 30.6 86.2 -5.1 169 190 A E < - 0 0 50 -5,-2.6 -1,-0.1 -6,-0.2 -5,-0.0 -0.118 32.3 -94.0 -67.7 165.2 32.7 88.9 -3.3 170 191 A Q S S+ 0 0 183 1,-0.3 2,-0.1 0, 0.0 -1,-0.1 -0.961 115.2 28.1-121.2 107.1 35.8 90.6 -4.5 171 192 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.524 93.5 125.4 -91.0 166.0 38.0 89.0 -3.2 172 193 A S - 0 0 50 -4,-0.1 -10,-0.1 -2,-0.1 -11,-0.1 -0.973 57.7-103.3-170.2 159.0 36.9 85.4 -2.7 173 194 A V - 0 0 37 -2,-0.3 5,-0.2 -12,-0.3 -5,-0.1 -0.703 54.0 -99.5 -85.7 136.1 37.7 81.8 -3.4 174 195 A P >> - 0 0 81 0, 0.0 3,-2.9 0, 0.0 4,-1.6 -0.365 29.0-122.5 -59.5 140.6 35.5 80.4 -6.2 175 196 A E H 3> S+ 0 0 67 -10,-0.4 4,-0.6 1,-0.3 -9,-0.1 0.821 113.2 60.0 -50.9 -34.6 32.6 78.4 -4.6 176 197 A A H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.570 115.0 35.1 -73.2 -6.8 33.8 75.4 -6.6 177 198 A R H <> S+ 0 0 127 -3,-2.9 4,-1.9 2,-0.1 -2,-0.2 0.545 93.9 87.8-119.0 -15.6 37.2 75.6 -4.8 178 199 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.847 84.1 53.1 -59.3 -41.0 36.3 76.8 -1.3 179 200 A L H X S+ 0 0 29 -4,-0.6 4,-3.0 1,-0.2 5,-0.2 0.962 112.8 44.9 -59.0 -52.7 35.6 73.4 0.4 180 201 A D H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 112.6 53.1 -57.1 -40.8 39.0 72.0 -0.7 181 202 A T H X S+ 0 0 47 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.940 113.7 41.0 -61.6 -50.8 40.7 75.2 0.3 182 203 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.908 111.9 54.7 -67.2 -43.8 39.3 75.2 3.8 183 204 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.3 5,-0.2 0.919 108.0 50.5 -58.3 -42.4 39.7 71.5 4.4 184 205 A H H X S+ 0 0 113 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.909 111.8 46.9 -62.2 -42.5 43.4 71.8 3.6 185 206 A I H X S+ 0 0 59 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.911 114.6 47.3 -65.8 -43.1 43.9 74.7 6.0 186 207 A W H X S+ 0 0 6 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.963 114.9 45.5 -62.2 -51.9 42.0 72.8 8.7 187 208 A V H X S+ 0 0 21 -4,-3.0 4,-2.2 -5,-0.2 5,-0.3 0.905 114.9 45.0 -60.5 -46.2 43.9 69.6 8.2 188 209 A T H X S+ 0 0 68 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.892 116.2 45.7 -68.3 -38.2 47.4 71.1 8.0 189 210 A S H < S+ 0 0 39 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.789 115.8 46.6 -76.3 -25.7 46.9 73.4 11.0 190 211 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -46,-0.2 0.901 127.5 24.1 -82.4 -40.0 45.4 70.6 13.2 191 212 A Y H < S+ 0 0 22 -4,-2.2 -2,-0.2 -5,-0.2 2,-0.2 0.537 95.6 112.6-101.9 -8.1 47.9 67.9 12.4 192 213 A G < - 0 0 28 -4,-1.6 -48,-0.0 -5,-0.3 -4,-0.0 -0.440 51.3-158.8 -70.5 135.8 50.9 70.0 11.5 193 214 A E 0 0 139 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.831 360.0 360.0 -80.3 -34.1 53.9 69.9 13.9 194 215 A N 0 0 211 -50,-0.0 -1,-0.3 0, 0.0 -50,-0.0 -0.958 360.0 360.0-174.6 360.0 55.2 73.3 12.6