==== 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 REGULATOR 26-FEB-08 3CCY . COMPND 2 MOLECULE: PUTATIVE TETR-FAMILY TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PARAPERTUSSIS 12822; . AUTHOR K.TAN,H.LI,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 77.6 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 2 0 0 0 0 1 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 9 A Y > 0 0 192 0, 0.0 4,-1.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 100.3 -4.0 30.0 11.0 2 10 A E T 4 + 0 0 145 1,-0.2 4,-0.2 2,-0.2 0, 0.0 0.246 360.0 56.9 -76.3 11.5 -4.5 28.9 14.6 3 11 A N T > S+ 0 0 102 2,-0.1 4,-0.7 3,-0.1 3,-0.4 0.843 110.6 34.4-103.8 -62.6 -8.2 27.8 14.2 4 12 A I H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.761 110.0 70.6 -64.2 -31.1 -8.2 25.1 11.4 5 13 A R H X S+ 0 0 64 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.931 99.7 44.8 -44.9 -55.6 -4.7 24.0 12.6 6 14 A D H > S+ 0 0 70 -3,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.679 105.1 61.2 -73.9 -21.7 -6.2 22.5 15.8 7 15 A T H X S+ 0 0 37 -4,-0.7 4,-3.2 -3,-0.2 5,-0.3 0.925 106.8 46.3 -67.5 -45.4 -9.1 20.8 13.9 8 16 A I H X S+ 0 0 2 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.966 116.7 44.4 -56.3 -54.9 -6.5 18.8 12.0 9 17 A I H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.901 116.0 47.9 -54.6 -47.3 -4.7 18.0 15.2 10 18 A E H X S+ 0 0 110 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.911 116.2 42.3 -61.1 -47.0 -8.0 17.3 17.0 11 19 A R H X S+ 0 0 92 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.871 115.1 49.7 -74.2 -38.3 -9.3 15.0 14.2 12 20 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.3 5,-0.3 0.895 106.6 56.0 -62.9 -45.5 -5.9 13.2 13.7 13 21 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.928 106.1 51.9 -53.8 -46.9 -5.5 12.6 17.4 14 22 A A H X S+ 0 0 25 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.918 113.7 42.3 -58.8 -44.5 -8.9 10.8 17.4 15 23 A X H X>S+ 0 0 31 -4,-1.6 5,-1.5 1,-0.2 4,-1.0 0.928 111.1 53.3 -70.4 -44.2 -7.9 8.5 14.5 16 24 A F H <5S+ 0 0 2 -4,-3.0 5,-0.3 1,-0.2 -1,-0.2 0.775 111.4 50.2 -57.2 -29.9 -4.4 7.7 15.7 17 25 A A H <5S+ 0 0 20 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.727 116.8 37.2 -86.2 -26.6 -6.0 6.7 19.0 18 26 A R H <5S+ 0 0 141 -4,-1.3 -2,-0.1 -3,-0.4 -3,-0.1 0.908 139.5 7.0 -81.3 -77.8 -8.6 4.3 17.5 19 27 A Q T <5S- 0 0 89 -4,-1.0 4,-0.2 1,-0.2 -3,-0.2 0.668 108.0-123.7 -82.2 -20.3 -6.9 2.6 14.6 20 28 A G >< - 0 0 17 -5,-1.5 4,-1.2 1,-0.1 -1,-0.2 -0.319 28.3 -64.8 102.5 176.6 -3.4 3.9 15.2 21 29 A Y T >4 S+ 0 0 31 -5,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.961 126.7 42.1 -70.9 -57.0 -0.7 5.8 13.3 22 30 A S T 34 S+ 0 0 108 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.803 114.7 54.9 -63.3 -28.8 0.3 3.5 10.4 23 31 A E T 34 S+ 0 0 136 -4,-0.2 2,-0.5 -7,-0.1 -1,-0.2 0.812 98.5 72.3 -71.1 -32.6 -3.4 2.7 9.9 24 32 A T S << S- 0 0 0 -4,-1.2 2,-0.2 -3,-0.5 -1,-0.0 -0.751 70.2-162.9 -91.2 122.8 -4.4 6.4 9.5 25 33 A S > - 0 0 52 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.556 33.9-111.4 -99.4 167.8 -3.4 8.1 6.3 26 34 A I H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.825 121.3 55.8 -62.1 -34.7 -3.1 11.8 5.3 27 35 A G H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 102.9 54.3 -63.0 -45.4 -6.1 11.2 3.0 28 36 A D H > S+ 0 0 46 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.891 112.0 44.7 -52.7 -45.9 -8.1 9.9 6.0 29 37 A I H >X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 3,-0.6 0.909 107.4 58.3 -65.0 -46.3 -7.3 13.1 7.9 30 38 A A H 3<>S+ 0 0 2 -4,-2.5 5,-1.9 1,-0.3 3,-0.3 0.896 113.5 38.6 -51.0 -46.9 -8.0 15.3 4.8 31 39 A R H ><5S+ 0 0 157 -4,-2.1 3,-0.6 3,-0.3 -1,-0.3 0.543 106.4 64.5 -86.0 -10.1 -11.6 13.9 4.6 32 40 A A H <<5S+ 0 0 30 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.802 105.5 45.8 -77.3 -30.4 -12.2 13.8 8.4 33 41 A C T 3<5S- 0 0 18 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.134 123.3-115.4 -88.9 18.2 -11.9 17.6 8.4 34 42 A E T < 5S+ 0 0 173 -3,-0.6 2,-0.3 1,-0.2 -3,-0.3 0.946 77.5 121.8 39.8 62.9 -14.2 17.3 5.4 35 43 A C < - 0 0 32 -5,-1.9 2,-0.2 -6,-0.1 -1,-0.2 -0.895 67.7 -90.2-144.9 169.8 -11.4 18.8 3.3 36 44 A S > - 0 0 60 -2,-0.3 3,-0.5 -3,-0.1 4,-0.5 -0.566 36.4-119.3 -83.4 151.7 -9.0 18.3 0.3 37 45 A K G >> S+ 0 0 117 1,-0.2 4,-0.5 -2,-0.2 3,-0.5 0.745 109.8 63.9 -60.9 -25.4 -5.6 16.7 0.8 38 46 A S G >4 S+ 0 0 94 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.924 92.4 59.3 -60.3 -52.6 -3.9 19.9 -0.4 39 47 A R G <4 S+ 0 0 111 -3,-0.5 3,-0.4 1,-0.3 4,-0.2 0.565 93.7 66.4 -64.1 -14.7 -5.1 22.1 2.5 40 48 A L G X> S+ 0 0 8 -3,-0.5 4,-2.0 -4,-0.5 3,-1.6 0.870 95.0 56.8 -68.4 -36.5 -3.4 20.0 5.1 41 49 A Y T << S+ 0 0 99 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.546 88.1 75.7 -78.8 -6.9 0.1 20.9 3.9 42 50 A H T 34 S+ 0 0 148 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.695 115.8 20.4 -67.7 -22.4 -0.7 24.6 4.3 43 51 A Y T <4 S+ 0 0 34 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.635 129.6 38.4-119.3 -27.5 -0.2 23.8 8.1 44 52 A F < - 0 0 12 -4,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.989 52.1-155.9-136.7 141.6 1.9 20.6 8.2 45 53 A D S S+ 0 0 144 -2,-0.4 2,-0.3 1,-0.1 -4,-0.1 0.675 79.2 0.1 -85.7 -19.6 4.8 19.1 6.1 46 54 A S > - 0 0 45 -6,-0.1 4,-1.5 1,-0.1 -1,-0.1 -0.967 69.5-103.6-159.6 165.6 4.1 15.5 6.9 47 55 A K H > S+ 0 0 33 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.849 125.4 54.7 -60.9 -38.0 2.0 13.0 8.8 48 56 A E H > S+ 0 0 72 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.836 102.5 56.0 -65.3 -35.2 4.9 12.9 11.2 49 57 A A H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 106.1 50.2 -64.2 -43.1 4.7 16.7 11.6 50 58 A V H X S+ 0 0 4 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.945 116.3 42.6 -57.6 -48.9 1.1 16.3 12.7 51 59 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.919 112.9 51.0 -63.5 -47.4 2.1 13.6 15.2 52 60 A R H X S+ 0 0 92 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.924 111.4 49.3 -60.7 -44.7 5.3 15.4 16.4 53 61 A D H X S+ 0 0 38 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.933 111.4 46.2 -60.9 -49.7 3.3 18.7 17.1 54 62 A X H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.839 115.5 47.3 -66.1 -31.7 0.4 17.1 19.1 55 63 A L H X S+ 0 0 5 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.890 112.9 49.3 -71.9 -39.9 2.9 15.1 21.2 56 64 A T H X S+ 0 0 42 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.939 112.9 44.1 -66.8 -48.2 5.0 18.1 21.8 57 65 A T H X S+ 0 0 68 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.887 114.4 52.4 -67.7 -33.8 2.3 20.4 22.9 58 66 A H H X S+ 0 0 10 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.910 113.3 39.6 -68.9 -46.6 0.7 17.7 25.0 59 67 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.885 114.5 55.5 -70.6 -35.5 3.9 16.8 27.0 60 68 A D H X S+ 0 0 61 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.926 109.7 47.0 -60.5 -42.7 4.8 20.5 27.2 61 69 A S H X S+ 0 0 61 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.920 111.2 49.9 -63.3 -45.7 1.4 21.2 28.8 62 70 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.915 111.3 50.1 -60.6 -44.9 1.7 18.3 31.2 63 71 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.908 111.4 47.3 -60.6 -44.5 5.2 19.5 32.3 64 72 A E H X S+ 0 0 93 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.943 112.7 48.6 -66.4 -43.8 4.1 23.1 32.9 65 73 A R H X S+ 0 0 75 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.874 109.3 53.2 -66.9 -35.8 1.0 22.1 34.9 66 74 A C H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.861 106.8 52.9 -59.9 -42.5 3.1 19.7 37.0 67 75 A R H X S+ 0 0 55 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.924 106.0 52.4 -60.7 -45.3 5.5 22.5 37.8 68 76 A Q H < S+ 0 0 116 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.886 112.2 46.9 -58.5 -40.9 2.6 24.7 39.0 69 77 A V H >X S+ 0 0 26 -4,-1.8 3,-1.5 2,-0.2 4,-0.9 0.945 112.6 49.1 -62.0 -49.2 1.5 21.9 41.3 70 78 A L H 3< S+ 0 0 32 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.940 112.7 47.1 -57.3 -49.0 5.0 21.4 42.5 71 79 A Y T 3< S+ 0 0 188 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.2 0.436 109.8 61.9 -73.9 0.7 5.5 25.1 43.2 72 80 A G T <4 S+ 0 0 54 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.1 0.925 88.4 49.7 -90.0 -81.1 2.1 25.3 45.0 73 81 A S < - 0 0 32 -4,-0.9 -1,-0.0 1,-0.1 0, 0.0 -0.171 56.9-149.3 -69.7 155.7 1.6 23.1 48.2 74 82 A N S S+ 0 0 151 -3,-0.0 -1,-0.1 1,-0.0 -2,-0.0 0.832 76.5 79.4 -83.1 -38.5 4.0 23.1 51.1 75 83 A E > - 0 0 127 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.551 68.9-146.4 -87.1 127.5 3.2 19.5 52.0 76 84 A P H > S+ 0 0 49 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.861 99.5 52.6 -54.3 -39.2 4.7 16.5 50.2 77 85 A K H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.920 111.9 46.1 -69.6 -37.1 1.6 14.2 50.6 78 86 A T H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.920 110.6 52.1 -64.6 -49.0 -0.6 16.9 49.2 79 87 A R H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.875 110.1 50.3 -55.5 -42.9 1.7 17.6 46.2 80 88 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.946 111.8 45.5 -63.1 -50.4 1.8 13.9 45.3 81 89 A L H X S+ 0 0 44 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.891 112.3 53.1 -61.1 -39.8 -2.0 13.5 45.4 82 90 A Q H X S+ 0 0 80 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.874 106.9 52.3 -63.5 -38.2 -2.4 16.8 43.4 83 91 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.933 110.6 46.7 -61.9 -45.1 0.0 15.4 40.7 84 92 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.922 111.5 51.1 -65.6 -40.4 -2.0 12.2 40.4 85 93 A K H X S+ 0 0 44 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.891 109.0 53.6 -62.3 -38.7 -5.3 14.2 40.2 86 94 A L H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.934 107.1 49.3 -60.4 -48.1 -3.7 16.3 37.4 87 95 A F H X S+ 0 0 9 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.917 114.5 44.8 -61.2 -41.0 -2.7 13.3 35.3 88 96 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.812 109.4 55.8 -75.0 -28.1 -6.2 11.8 35.5 89 97 A E H X S+ 0 0 75 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.924 105.0 52.7 -63.1 -45.9 -7.8 15.2 34.8 90 98 A I H X S+ 0 0 7 -4,-2.4 4,-3.6 2,-0.2 -2,-0.2 0.869 109.3 50.6 -61.1 -34.9 -5.7 15.4 31.6 91 99 A Y H X S+ 0 0 5 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.940 108.8 50.8 -60.8 -50.8 -7.2 11.9 30.7 92 100 A A H < S+ 0 0 47 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.840 125.6 27.6 -55.0 -35.6 -10.7 13.1 31.4 93 101 A T H < S+ 0 0 96 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.885 133.8 28.2 -96.3 -41.0 -10.2 16.2 29.2 94 102 A S H X + 0 0 37 -4,-3.6 4,-2.5 -5,-0.2 5,-0.2 -0.299 67.7 145.9-122.3 44.2 -7.5 15.1 26.6 95 103 A R H X S+ 0 0 88 -4,-0.7 4,-3.5 1,-0.2 5,-0.2 0.891 72.6 49.7 -51.5 -53.3 -8.0 11.3 26.3 96 104 A D H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 114.7 42.0 -53.1 -54.7 -7.1 11.0 22.6 97 105 A R H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 115.6 53.3 -64.5 -34.2 -3.8 13.1 22.8 98 106 A H H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.971 109.3 46.2 -61.7 -56.6 -3.0 11.2 26.1 99 107 A V H X S+ 0 0 6 -4,-3.5 4,-0.7 1,-0.2 5,-0.2 0.931 111.4 53.4 -51.1 -47.1 -3.5 7.7 24.4 100 108 A V H >X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 3,-0.5 0.871 108.9 49.3 -59.9 -39.9 -1.3 9.0 21.5 101 109 A X H 3X S+ 0 0 17 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.988 115.5 43.3 -55.2 -61.6 1.5 10.0 23.9 102 110 A L H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.505 130.3 25.0 -61.9 -6.9 1.3 6.6 25.7 103 111 A T H << S+ 0 0 60 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.646 115.1 47.3-134.9 -27.1 1.1 4.7 22.4 104 112 A C H >< + 0 0 6 -4,-2.8 3,-1.6 -5,-0.2 4,-0.3 0.391 65.8 108.7-117.1 0.1 2.5 6.4 19.3 105 113 A L G >< S+ 0 0 37 -4,-0.7 3,-1.2 -5,-0.3 -1,-0.1 0.786 76.8 60.8 -50.5 -33.2 6.0 7.7 20.1 106 114 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.753 84.9 75.6 -71.1 -23.7 7.8 5.1 18.0 107 115 A A G < S+ 0 0 27 -3,-1.6 -1,-0.3 6,-0.0 -2,-0.2 0.656 86.5 84.0 -62.0 -14.8 6.1 6.2 14.8 108 116 A L S < S- 0 0 8 -3,-1.2 -59,-0.0 -4,-0.3 -60,-0.0 -0.363 86.5-106.2 -83.9 163.6 8.5 9.2 14.8 109 117 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.591 45.5 -90.7 -56.9-140.3 12.2 9.4 13.6 110 118 A E S > S+ 0 0 91 3,-0.1 4,-1.9 2,-0.1 5,-0.1 0.786 112.4 49.1-114.0 -46.0 15.1 9.4 16.0 111 119 A D H > S+ 0 0 123 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.900 118.9 38.7 -64.7 -43.6 16.0 13.0 17.0 112 120 A Q H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.801 111.8 58.4 -81.0 -29.5 12.5 14.1 17.8 113 121 A R H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.937 110.9 43.6 -58.4 -46.5 11.6 10.8 19.4 114 122 A K H X S+ 0 0 130 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.763 108.4 55.8 -78.0 -28.5 14.5 11.4 21.8 115 123 A A H X S+ 0 0 56 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.892 115.2 41.2 -61.0 -41.8 13.6 15.0 22.4 116 124 A L H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.856 111.4 54.4 -75.9 -37.2 10.1 13.7 23.4 117 125 A I H X S+ 0 0 46 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.867 106.0 55.2 -60.6 -37.0 11.6 10.8 25.4 118 126 A A H X S+ 0 0 42 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.882 107.2 48.7 -62.8 -39.7 13.6 13.4 27.2 119 127 A K H X S+ 0 0 58 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.858 108.6 53.1 -68.2 -36.5 10.4 15.3 28.2 120 128 A Q H X S+ 0 0 40 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.848 106.5 53.8 -65.2 -35.2 8.8 12.0 29.4 121 129 A R H X S+ 0 0 166 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.883 105.3 53.7 -66.7 -38.1 11.8 11.4 31.6 122 130 A E H X S+ 0 0 78 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.901 109.9 48.0 -55.7 -46.2 11.4 14.9 33.1 123 131 A L H X S+ 0 0 7 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.915 111.4 48.4 -64.5 -49.3 7.8 14.0 34.0 124 132 A I H X S+ 0 0 43 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.895 108.6 56.3 -53.4 -44.6 8.8 10.7 35.5 125 133 A A H X S+ 0 0 39 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.901 102.5 55.2 -59.2 -42.1 11.5 12.5 37.5 126 134 A Y H X S+ 0 0 43 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.909 112.4 42.4 -56.9 -43.9 8.9 14.9 39.0 127 135 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.917 114.4 50.3 -71.8 -44.2 6.9 11.9 40.3 128 136 A R H X S+ 0 0 46 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.935 112.7 46.6 -56.8 -50.6 9.9 9.9 41.5 129 137 A D H X S+ 0 0 73 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.861 110.4 53.0 -63.5 -37.5 11.3 12.9 43.4 130 138 A A H X S+ 0 0 2 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.870 109.6 49.3 -68.8 -36.4 7.8 13.6 44.9 131 139 A L H >X S+ 0 0 18 -4,-2.2 4,-1.5 1,-0.2 3,-1.1 0.912 109.1 51.3 -62.8 -46.7 7.6 10.0 46.2 132 140 A L H 3< S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.694 101.0 62.6 -68.7 -17.4 11.1 10.2 47.7 133 141 A Q H 3< S+ 0 0 103 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.734 106.1 46.4 -73.6 -22.6 10.0 13.4 49.5 134 142 A L H << S+ 0 0 45 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.788 128.5 26.3 -79.8 -33.6 7.5 11.1 51.2 135 143 A R >< + 0 0 119 -4,-1.5 3,-2.0 1,-0.1 4,-0.2 -0.649 65.0 163.4-129.2 72.0 10.2 8.6 51.9 136 144 A P G > S+ 0 0 94 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.834 75.3 69.4 -63.4 -22.0 13.6 10.3 52.1 137 145 A D G 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.652 97.8 52.4 -66.6 -14.4 15.0 7.2 53.8 138 146 A X G X S+ 0 0 71 -3,-2.0 3,-1.1 -6,-0.2 -1,-0.3 0.427 80.1 90.6 -99.4 0.7 14.5 5.4 50.5 139 147 A A T < S+ 0 0 38 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.760 72.5 73.0 -74.5 -19.4 16.4 7.8 48.2 140 148 A A T 3 S+ 0 0 103 -4,-0.3 2,-1.0 -3,-0.3 -1,-0.2 0.782 89.4 63.9 -63.3 -30.0 19.7 5.9 48.8 141 149 A N <> + 0 0 74 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 -0.766 59.9 172.9-102.7 92.4 18.5 3.0 46.6 142 150 A R H > S+ 0 0 175 -2,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.823 74.4 59.8 -69.7 -30.9 18.1 4.5 43.1 143 151 A T H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 111.8 37.9 -59.2 -53.8 17.4 1.1 41.4 144 152 A L H > S+ 0 0 92 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.797 110.1 61.8 -72.9 -30.4 14.4 0.4 43.6 145 153 A A H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.918 107.4 45.4 -57.2 -44.3 13.3 4.1 43.5 146 154 A H H X S+ 0 0 110 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.928 112.8 50.7 -62.9 -48.6 13.0 3.7 39.6 147 155 A V H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.944 111.9 47.2 -50.6 -49.2 11.1 0.4 40.1 148 156 A D H X S+ 0 0 59 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.904 113.1 48.5 -67.0 -42.1 8.7 2.0 42.5 149 157 A T H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.906 112.4 47.0 -58.6 -45.7 8.1 5.0 40.3 150 158 A X H X S+ 0 0 77 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.814 109.3 54.6 -72.7 -27.7 7.5 2.9 37.2 151 159 A L H X S+ 0 0 110 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.941 109.7 48.5 -68.7 -42.5 5.1 0.6 39.1 152 160 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 3,-0.4 0.928 108.5 52.6 -55.3 -55.2 3.1 3.6 40.1 153 161 A F H X S+ 0 0 7 -4,-2.5 4,-3.7 1,-0.2 5,-0.3 0.861 103.6 59.3 -49.4 -42.8 3.1 4.9 36.4 154 162 A G H X S+ 0 0 39 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.897 101.2 54.2 -50.2 -49.5 1.7 1.6 35.3 155 163 A X H < S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.906 120.3 30.9 -52.9 -50.1 -1.4 2.0 37.6 156 164 A I H >< S+ 0 0 3 -4,-1.4 3,-0.7 2,-0.1 4,-0.2 0.830 118.8 51.6 -81.7 -35.7 -2.2 5.4 36.1 157 165 A N H >< S+ 0 0 50 -4,-3.7 3,-0.8 1,-0.2 -3,-0.2 0.783 103.4 60.1 -72.2 -28.3 -1.0 4.9 32.5 158 166 A W G >< S+ 0 0 156 -4,-2.0 3,-2.0 -5,-0.3 4,-0.3 0.624 80.3 90.8 -72.0 -12.4 -2.9 1.6 32.0 159 167 A T G X> S+ 0 0 2 -3,-0.7 4,-3.0 1,-0.3 3,-1.8 0.793 70.2 70.2 -56.0 -33.0 -6.2 3.4 32.7 160 168 A Y G <4 S+ 0 0 56 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.796 94.9 57.1 -57.2 -25.6 -6.7 4.2 29.0 161 169 A T G <4 S+ 0 0 56 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.661 129.8 2.3 -79.8 -16.8 -7.4 0.5 28.5 162 170 A W T <4 S+ 0 0 135 -3,-1.8 2,-0.4 -4,-0.3 -2,-0.2 0.581 100.9 96.5-140.8 -29.9 -10.3 0.2 31.0 163 171 A Y < - 0 0 8 -4,-3.0 2,-0.6 -5,-0.2 -1,-0.1 -0.606 46.0-162.2 -89.4 131.2 -11.3 3.4 32.7 164 172 A K > - 0 0 124 -2,-0.4 3,-1.7 1,-0.1 5,-0.2 -0.948 8.9-154.7-111.0 115.4 -14.1 5.6 31.5 165 173 A A T 3 S+ 0 0 31 -2,-0.6 -1,-0.1 1,-0.3 -73,-0.1 0.594 92.2 55.4 -66.2 -14.9 -13.9 9.2 33.0 166 174 A D T 3 S+ 0 0 153 4,-0.1 -1,-0.3 5,-0.1 4,-0.1 0.191 94.6 96.9 -99.9 15.1 -17.7 9.8 32.7 167 175 A G S < S- 0 0 39 -3,-1.7 -4,-0.0 2,-0.4 -2,-0.0 -0.065 97.5 -69.6 -93.6-166.4 -18.6 6.7 34.7 168 176 A S S S+ 0 0 135 1,-0.1 2,-0.6 2,-0.1 -3,-0.1 0.890 119.3 60.4 -50.5 -48.0 -19.5 5.9 38.3 169 177 A V S S- 0 0 72 -5,-0.2 -2,-0.4 4,-0.1 -1,-0.1 -0.754 83.3-143.5 -91.1 116.0 -15.9 6.7 39.5 170 178 A S > - 0 0 54 -2,-0.6 4,-2.9 -4,-0.1 5,-0.2 -0.285 26.4-106.8 -75.6 157.9 -14.8 10.3 38.8 171 179 A P H > S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.917 123.6 48.1 -48.7 -42.6 -11.2 11.2 37.8 172 180 A D H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 111.7 49.0 -66.1 -45.2 -10.7 12.7 41.3 173 181 A A H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 111.9 49.4 -56.7 -43.4 -12.2 9.6 43.1 174 182 A L H X S+ 0 0 15 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.921 111.3 49.5 -64.9 -40.4 -9.9 7.4 40.9 175 183 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.930 111.2 48.4 -63.7 -48.6 -6.9 9.5 41.9 176 184 A E H X S+ 0 0 75 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.886 114.1 47.2 -57.2 -45.0 -7.7 9.4 45.6 177 185 A R H X S+ 0 0 117 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.909 110.3 51.9 -60.1 -52.7 -8.1 5.7 45.4 178 186 A T H X S+ 0 0 12 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.920 114.3 44.0 -50.7 -48.0 -4.8 5.2 43.4 179 187 A V H X S+ 0 0 8 -4,-2.5 4,-2.9 2,-0.2 5,-0.5 0.919 112.1 50.4 -66.7 -46.4 -2.9 7.2 46.0 180 188 A Q H X>S+ 0 0 90 -4,-2.6 4,-2.2 -5,-0.2 5,-0.8 0.934 116.4 43.7 -55.6 -48.1 -4.5 5.5 49.1 181 189 A L H X5S+ 0 0 54 -4,-2.7 4,-1.6 3,-0.2 5,-0.2 0.956 117.7 43.4 -61.8 -53.5 -3.7 2.1 47.6 182 190 A F H <5S+ 0 0 59 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.923 124.2 34.0 -62.4 -47.4 -0.2 3.0 46.5 183 191 A L H <5S+ 0 0 50 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.885 134.8 20.3 -76.8 -42.3 0.8 4.8 49.7 184 192 A D H <5S- 0 0 88 -4,-2.2 -3,-0.2 -5,-0.5 4,-0.2 0.605 106.2-117.2-113.1 -13.2 -1.0 2.9 52.4 185 193 A G >X< - 0 0 24 -4,-1.6 3,-1.5 -5,-0.8 4,-0.5 0.324 18.5 -92.3 95.1 140.9 -1.8 -0.5 50.8 186 194 A Y G >4 S+ 0 0 174 1,-0.2 3,-0.8 -5,-0.2 -1,-0.1 0.837 120.8 60.3 -49.4 -41.9 -4.8 -2.6 49.7 187 195 A L G 34 S+ 0 0 161 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.651 109.4 40.2 -67.9 -15.4 -4.8 -4.3 53.1 188 196 A N G <4 S+ 0 0 117 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.360 83.0 122.5-113.4 2.3 -5.3 -1.1 55.1 189 197 A L << - 0 0 32 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.0 -0.440 69.2-113.2 -67.5 135.0 -7.9 0.6 52.9 190 198 A L - 0 0 163 -2,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.519 26.0-138.6 -70.5 136.0 -11.1 1.4 54.7 191 199 A S 0 0 119 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 -0.889 360.0 360.0-101.2 120.5 -14.1 -0.6 53.5 192 200 A A 0 0 152 -2,-0.6 -1,-0.2 0, 0.0 0, 0.0 0.947 360.0 360.0 -53.2 360.0 -17.4 1.2 53.2