==== 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 02-OCT-06 2IKS . COMPND 2 MOLECULE: DNA-BINDING TRANSCRIPTIONAL DUAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.CHANG,E.EVDOKIMOVA,O.KAGAN,A.SAVCHENKO,A.M.EDWARDS,A.JOACH . 547 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.6 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 . 38 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 0 0 1 1 5 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 8 2 4 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 2 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 4 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 59 A G 0 0 134 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.2 74.2 50.3 37.2 2 60 A R - 0 0 95 1,-0.1 58,-0.1 2,-0.1 57,-0.0 -0.764 360.0-164.9 -99.0 120.5 72.2 48.4 34.5 3 61 A T - 0 0 45 -2,-0.5 32,-0.2 56,-0.4 -1,-0.1 0.508 37.8-129.2 -77.8 -5.0 73.3 44.8 33.6 4 62 A R + 0 0 98 1,-0.2 31,-2.4 30,-0.1 2,-0.3 0.912 68.3 122.1 53.8 45.7 71.1 45.1 30.5 5 63 A S E -a 35 0A 5 29,-0.2 56,-3.0 54,-0.2 57,-0.6 -0.982 45.1-163.7-138.7 147.9 69.4 41.8 31.4 6 64 A I E -ab 36 62A 0 29,-2.1 31,-2.7 -2,-0.3 57,-0.2 -0.999 17.6-134.1-134.5 126.4 65.8 40.8 32.0 7 65 A G E -ab 37 63A 0 55,-2.9 57,-2.8 -2,-0.4 2,-0.4 -0.537 13.8-162.6 -77.9 143.7 64.7 37.5 33.8 8 66 A L E -ab 38 64A 0 29,-3.0 31,-2.7 -2,-0.2 2,-0.6 -0.930 4.0-171.6-129.8 113.1 61.9 35.5 32.3 9 67 A V E +ab 39 65A 0 55,-2.8 57,-2.7 -2,-0.4 31,-0.2 -0.908 22.4 148.9-106.3 111.4 60.3 32.9 34.6 10 68 A I E -a 40 0A 2 29,-1.3 31,-2.1 -2,-0.6 32,-0.4 -0.899 56.2-106.3-135.2 160.9 57.9 30.6 32.7 11 69 A P S S- 0 0 8 0, 0.0 31,-2.3 0, 0.0 2,-0.3 0.924 84.0 -38.8 -59.4 -45.4 56.9 27.0 33.4 12 70 A D - 0 0 28 29,-0.1 29,-0.1 28,-0.1 27,-0.1 -0.943 42.8-109.8-162.8 178.4 58.8 25.4 30.4 13 71 A L S S+ 0 0 1 -2,-0.3 286,-0.3 282,-0.1 287,-0.1 -0.275 100.8 79.0-114.5 41.1 59.9 25.7 26.9 14 72 A E + 0 0 95 285,-0.1 2,-0.1 1,-0.0 -1,-0.1 0.751 68.4 83.4-105.2 -55.8 57.6 22.8 25.9 15 73 A N S > S- 0 0 78 1,-0.1 4,-2.7 4,-0.1 3,-0.3 -0.374 77.3-136.5 -59.1 122.4 54.1 24.5 25.7 16 74 A T H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 103.8 54.8 -49.1 -43.6 53.7 26.2 22.2 17 75 A S H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 112.7 42.7 -59.3 -45.0 52.3 29.3 23.8 18 76 A Y H > S+ 0 0 12 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.864 113.6 50.1 -72.7 -37.8 55.3 29.7 26.1 19 77 A T H X S+ 0 0 7 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.910 112.0 49.3 -64.9 -41.3 57.9 28.9 23.4 20 78 A R H X S+ 0 0 70 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.919 113.1 45.5 -66.0 -42.3 56.3 31.4 21.0 21 79 A I H X S+ 0 0 1 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.929 114.2 49.0 -68.7 -41.8 56.3 34.2 23.7 22 80 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.908 109.5 54.3 -57.6 -46.4 59.9 33.3 24.7 23 81 A N H X S+ 0 0 9 -4,-2.9 4,-1.9 266,-0.3 -2,-0.2 0.949 114.6 38.2 -52.5 -53.7 60.9 33.4 21.0 24 82 A Y H X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.886 114.6 53.8 -69.5 -40.7 59.5 36.9 20.5 25 83 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.919 110.2 48.5 -60.2 -41.7 60.5 38.3 23.9 26 84 A E H X S+ 0 0 5 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.929 112.4 48.1 -64.1 -46.4 64.1 37.1 23.1 27 85 A R H X S+ 0 0 79 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.934 116.5 42.2 -58.1 -49.7 64.1 38.7 19.7 28 86 A Q H X S+ 0 0 6 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.872 113.1 51.5 -72.2 -39.5 62.7 42.0 20.9 29 87 A A H ><>S+ 0 0 1 -4,-2.8 5,-2.6 -5,-0.3 3,-0.7 0.944 110.6 49.6 -57.9 -47.3 64.9 42.2 24.1 30 88 A R H ><5S+ 0 0 38 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.897 106.2 56.6 -63.4 -36.3 68.0 41.6 21.9 31 89 A Q H 3<5S+ 0 0 116 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.795 109.7 45.9 -63.6 -27.5 66.8 44.4 19.5 32 90 A R T <<5S- 0 0 76 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.346 126.2-100.8 -94.9 5.6 66.8 46.8 22.5 33 91 A G T < 5S+ 0 0 39 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.811 80.3 127.5 81.0 31.4 70.2 45.6 23.8 34 92 A Y < - 0 0 9 -5,-2.6 2,-0.6 -8,-0.1 -1,-0.3 -0.952 51.3-140.1-121.2 141.7 69.0 43.3 26.6 35 93 A Q E -a 5 0A 1 -31,-2.4 -29,-2.1 -2,-0.4 2,-0.4 -0.879 18.8-141.2 -98.0 124.4 69.8 39.7 27.3 36 94 A L E -a 6 0A 4 -2,-0.6 2,-0.6 278,-0.3 278,-0.5 -0.669 7.0-156.0 -83.2 132.1 66.9 37.6 28.5 37 95 A L E -a 7 0A 12 -31,-2.7 -29,-3.0 -2,-0.4 2,-0.4 -0.947 13.5-156.6-107.2 106.7 67.7 35.1 31.2 38 96 A I E +a 8 0A 5 -2,-0.6 2,-0.4 274,-0.5 274,-0.3 -0.687 14.5 178.5 -89.2 132.7 65.1 32.3 30.9 39 97 A A E -a 9 0A 5 -31,-2.7 -29,-1.3 -2,-0.4 2,-0.5 -0.984 18.8-143.9-133.6 120.8 64.5 30.2 34.1 40 98 A C E -a 10 0A 2 -2,-0.4 -28,-0.1 -31,-0.2 -31,-0.1 -0.774 12.1-170.2 -92.9 128.9 61.9 27.5 34.0 41 99 A S > - 0 0 0 -31,-2.1 3,-1.5 -2,-0.5 7,-0.3 0.598 32.5-131.7 -89.1 -13.9 59.7 26.9 37.1 42 100 A E T 3 - 0 0 70 -31,-2.3 -30,-0.1 -32,-0.4 -2,-0.1 0.705 63.5 -77.5 60.2 24.0 58.1 23.6 35.9 43 101 A D T 3 S+ 0 0 68 1,-0.2 -1,-0.3 23,-0.1 -31,-0.1 0.748 101.6 134.4 59.3 26.0 54.9 25.5 37.1 44 102 A Q <> - 0 0 105 -3,-1.5 4,-3.1 1,-0.1 -1,-0.2 -0.927 55.2-143.7-111.1 120.7 55.9 24.6 40.7 45 103 A P H > S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.860 99.8 49.7 -51.6 -43.0 55.7 27.5 43.3 46 104 A D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.932 114.2 45.4 -64.8 -45.3 58.8 26.4 45.2 47 105 A N H > S+ 0 0 26 -6,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 111.1 54.6 -56.8 -49.1 60.9 26.1 42.0 48 106 A E H X S+ 0 0 0 -4,-3.1 4,-2.5 -7,-0.3 -2,-0.2 0.924 107.8 47.5 -56.1 -44.2 59.5 29.5 40.9 49 107 A X H X S+ 0 0 37 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.893 111.7 52.1 -66.6 -36.3 60.6 31.3 44.0 50 108 A R H X S+ 0 0 115 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.902 109.2 49.9 -60.8 -45.6 64.0 29.7 43.7 51 109 A C H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.910 109.3 51.7 -59.8 -45.4 64.2 30.9 40.1 52 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.955 111.0 47.2 -53.9 -52.9 63.3 34.4 41.2 53 111 A E H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 110.9 51.9 -59.3 -43.3 66.0 34.4 43.8 54 112 A H H X S+ 0 0 86 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.874 109.5 49.8 -60.6 -41.2 68.6 33.1 41.3 55 113 A L H <>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 -1,-0.2 0.894 109.3 51.1 -66.7 -39.6 67.8 35.8 38.9 56 114 A L H ><5S+ 0 0 38 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.911 107.5 54.2 -60.7 -42.1 68.1 38.5 41.6 57 115 A Q H 3<5S+ 0 0 137 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 105.0 53.4 -61.3 -32.8 71.5 37.0 42.4 58 116 A R T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.384 115.0-122.0 -81.2 2.3 72.5 37.4 38.8 59 117 A Q T < 5 - 0 0 137 -3,-1.9 -56,-0.4 1,-0.1 -3,-0.2 0.847 40.5-178.2 60.1 41.5 71.4 41.1 39.1 60 118 A V < - 0 0 6 -5,-1.7 -54,-0.2 1,-0.1 -1,-0.1 -0.363 29.8-132.3 -61.4 152.7 68.8 41.2 36.3 61 119 A D S S- 0 0 18 -56,-3.0 2,-0.3 1,-0.2 -55,-0.2 0.672 81.0 -6.6 -81.8 -21.5 67.3 44.6 35.8 62 120 A A E -b 6 0A 0 -57,-0.6 -55,-2.9 22,-0.1 2,-0.4 -0.965 64.5-130.3-163.7 164.2 63.7 43.3 35.8 63 121 A I E -bc 7 86A 0 22,-2.3 24,-2.8 -2,-0.3 2,-0.5 -0.998 5.2-161.5-130.7 132.4 61.7 40.1 35.8 64 122 A I E -bc 8 87A 0 -57,-2.8 -55,-2.8 -2,-0.4 2,-0.4 -0.941 26.5-177.2-102.1 130.2 58.9 39.0 33.6 65 123 A V E -bc 9 88A 0 22,-2.4 24,-2.6 -2,-0.5 2,-0.7 -0.991 36.0-158.8-136.7 135.5 57.0 36.1 35.2 66 124 A S - 0 0 0 -57,-2.7 -23,-0.1 -2,-0.4 24,-0.1 -0.876 41.6-148.5 -99.0 97.2 54.1 33.8 34.5 67 125 A T - 0 0 3 -2,-0.7 -2,-0.0 24,-0.6 -57,-0.0 -0.289 29.2-163.0 -77.7 144.3 53.3 32.9 38.1 68 126 A S S S+ 0 0 29 -24,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.431 71.9 89.3 -91.4 -1.7 51.9 29.6 39.5 69 127 A L S S- 0 0 16 1,-0.1 -2,-0.1 -24,-0.1 -25,-0.0 -0.520 95.5 -84.4 -94.8 162.9 51.0 31.4 42.7 70 128 A P > - 0 0 62 0, 0.0 3,-2.1 0, 0.0 24,-0.1 -0.337 47.3-113.1 -58.6 147.0 47.8 33.2 43.6 71 129 A P T 3 S+ 0 0 61 0, 0.0 23,-2.2 0, 0.0 -2,-0.1 0.786 116.2 45.3 -57.9 -29.7 48.0 36.8 42.3 72 130 A E T 3 S+ 0 0 118 21,-0.2 5,-0.1 4,-0.0 21,-0.1 0.239 81.4 147.4 -95.2 10.1 48.1 38.4 45.8 73 131 A H X> - 0 0 50 -3,-2.1 4,-1.0 1,-0.1 3,-0.8 -0.192 55.6-125.6 -54.6 136.6 50.6 35.8 47.2 74 132 A P H 3> S+ 0 0 97 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.724 100.9 73.8 -55.1 -28.3 53.0 37.4 49.8 75 133 A F H >4 S+ 0 0 33 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.938 104.8 36.2 -56.2 -49.0 56.1 36.4 47.9 76 134 A Y H X4 S+ 0 0 0 -3,-0.8 3,-2.4 1,-0.2 -1,-0.2 0.736 98.6 80.0 -75.7 -20.0 55.6 39.1 45.2 77 135 A Q H >< S+ 0 0 65 -4,-1.0 3,-1.5 1,-0.3 4,-0.3 0.739 76.6 76.0 -60.1 -19.9 54.2 41.6 47.8 78 136 A R T << S+ 0 0 165 -3,-0.8 -1,-0.3 -4,-0.7 3,-0.3 0.829 101.5 40.3 -54.2 -34.5 57.9 42.2 48.7 79 137 A W T X S+ 0 0 9 -3,-2.4 3,-1.3 1,-0.2 -1,-0.3 0.279 82.3 111.9-100.5 9.1 58.0 44.2 45.4 80 138 A A T < S+ 0 0 8 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.792 94.6 16.9 -56.4 -36.8 54.6 45.9 45.7 81 139 A N T 3 S+ 0 0 144 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.259 104.2 113.6-131.9 51.2 56.0 49.4 46.2 82 140 A D S < S- 0 0 59 -3,-1.3 -3,-0.1 2,-0.2 -4,-0.0 -0.846 71.0-125.1-123.2 149.8 59.5 48.9 45.0 83 141 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.771 82.6 102.3 -66.1 -25.5 61.5 50.4 42.0 84 142 A F S S- 0 0 39 1,-0.1 2,-0.5 -22,-0.1 -2,-0.2 -0.433 76.5-128.1 -64.1 118.9 62.4 46.8 40.8 85 143 A P + 0 0 11 0, 0.0 -22,-2.3 0, 0.0 2,-0.5 -0.579 30.5 175.4 -78.3 122.3 60.1 45.9 37.9 86 144 A I E -c 63 0A 8 -2,-0.5 13,-0.5 -24,-0.2 2,-0.5 -0.997 12.9-170.3-113.6 120.5 58.2 42.6 38.1 87 145 A V E -c 64 0A 2 -24,-2.8 -22,-2.4 -2,-0.5 2,-0.3 -0.949 14.5-135.6-116.5 130.1 55.9 42.4 35.1 88 146 A A E -cd 65 100A 0 11,-2.5 13,-2.6 -2,-0.5 2,-0.4 -0.653 15.8-165.3 -92.8 138.2 53.3 39.6 34.9 89 147 A L E - d 0 101A 1 -24,-2.6 2,-2.4 -2,-0.3 13,-0.2 -0.991 65.4 -22.3-120.4 129.6 52.7 37.6 31.7 90 148 A D E S+ d 0 102A 36 11,-2.7 13,-0.5 -2,-0.4 2,-0.5 -0.323 128.4 59.3 76.4 -54.8 49.6 35.3 31.0 91 149 A R S S- 0 0 71 -2,-2.4 -24,-0.6 -26,-0.2 -2,-0.2 -0.929 93.2-120.4-108.6 127.5 48.8 34.8 34.7 92 150 A A - 0 0 32 -2,-0.5 2,-0.3 -4,-0.1 -3,-0.1 -0.235 16.2-152.8 -71.3 150.4 48.0 38.0 36.6 93 151 A L - 0 0 1 1,-0.1 -21,-0.2 166,-0.1 5,-0.2 -0.813 59.6 -50.5-108.1 160.6 49.8 39.5 39.7 94 152 A D >> - 0 0 23 -23,-2.2 4,-2.2 -2,-0.3 3,-1.7 0.017 51.7-147.1 -30.1 109.4 48.0 41.8 42.2 95 153 A R T 34 S+ 0 0 165 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.606 92.7 65.3 -68.2 -11.8 46.3 44.4 39.9 96 154 A E T 34 S+ 0 0 144 1,-0.1 -1,-0.3 163,-0.1 -2,-0.1 0.738 120.5 15.6 -70.0 -26.9 46.8 47.1 42.6 97 155 A H T <4 S+ 0 0 41 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.561 118.8 51.4-130.2 -19.3 50.6 46.9 42.4 98 156 A F < - 0 0 9 -4,-2.2 161,-2.0 -5,-0.2 2,-0.4 -0.903 67.4-124.8-125.6 157.4 51.7 45.2 39.2 99 157 A T E - e 0 259A 15 -13,-0.5 -11,-2.5 -2,-0.3 2,-0.4 -0.876 29.9-171.9 -97.6 134.9 51.1 45.4 35.5 100 158 A S E -de 88 260A 0 159,-1.9 161,-3.0 -2,-0.4 2,-0.7 -0.991 17.9-152.5-128.0 132.7 50.0 42.1 33.9 101 159 A V E +de 89 261A 1 -13,-2.6 -11,-2.7 -2,-0.4 2,-0.2 -0.928 40.5 151.1-105.6 109.0 49.6 41.4 30.2 102 160 A V E -de 90 262A 12 159,-2.4 161,-3.0 -2,-0.7 -11,-0.1 -0.697 44.3 -83.8-134.1 175.8 46.9 38.7 30.1 103 161 A G E - e 0 263A 3 -13,-0.5 2,-1.3 159,-0.2 161,-0.2 -0.396 34.9-114.8 -83.2 166.9 44.1 37.3 27.8 104 162 A A > + 0 0 10 159,-0.9 4,-3.0 1,-0.2 5,-0.3 -0.643 46.9 175.9 -95.4 71.7 40.6 38.7 27.6 105 163 A D H > + 0 0 21 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.838 68.9 44.3 -54.3 -47.2 39.3 35.3 29.0 106 164 A Q H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.956 119.2 42.4 -66.1 -48.4 35.6 36.0 29.2 107 165 A D H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.882 114.4 50.8 -62.6 -43.2 35.3 37.7 25.8 108 166 A D H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.907 111.1 48.5 -64.5 -42.4 37.6 35.1 24.1 109 167 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.889 111.7 49.5 -64.6 -41.4 35.5 32.2 25.5 110 168 A E H X S+ 0 0 57 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.937 111.7 48.7 -59.0 -46.9 32.3 33.9 24.4 111 169 A X H X S+ 0 0 50 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.914 116.5 42.6 -61.7 -45.4 33.7 34.5 20.9 112 170 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.916 114.9 49.7 -63.2 -44.9 34.8 30.8 20.7 113 171 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.859 106.7 55.9 -65.9 -37.4 31.6 29.4 22.3 114 172 A E H X S+ 0 0 80 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.896 109.8 46.3 -64.1 -38.2 29.4 31.5 19.8 115 173 A E H >< S+ 0 0 29 -4,-1.3 3,-0.9 -5,-0.2 -2,-0.2 0.919 111.8 50.5 -67.4 -44.0 31.2 29.8 16.9 116 174 A L H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.889 101.3 63.3 -59.7 -37.6 30.9 26.4 18.5 117 175 A R H 3< S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.747 88.2 71.1 -62.9 -24.0 27.1 26.9 19.0 118 176 A K T << S+ 0 0 128 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.543 82.3 86.4 -68.5 -11.4 26.7 27.2 15.2 119 177 A F S < S- 0 0 46 -3,-2.1 92,-0.1 -4,-0.2 2,-0.1 -0.857 84.2-124.5 -95.7 119.1 27.3 23.4 14.8 120 178 A P + 0 0 118 0, 0.0 2,-0.3 0, 0.0 91,-0.1 -0.392 47.0 154.1 -56.7 133.1 24.3 21.1 15.3 121 179 A A - 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