==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-APR-06 2DO8 . COMPND 2 MOLECULE: UPF0301 PROTEIN HD_1794; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS DUCREYI; . AUTHOR Q.ZHANG,G.LIU,R.SHASTRY,M.JIANG,K.CUNNINGHAM,L.C.MA,R.XIAO, . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 19.1 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 0.5 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 . 28 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 10.6 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 2 1 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 RESIDUES PER ALPHA HELIX . 0 1 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 1 3 1 1 1 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 . 1 1 0 0 1 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 1 A M 0 0 179 0, 0.0 3,-0.3 0, 0.0 136,-0.1 0.000 360.0 360.0 360.0 -77.9 2.8 -20.6 10.5 2 2 A F - 0 0 76 1,-0.2 2,-2.7 2,-0.1 3,-0.2 0.837 360.0-102.6 61.1 116.3 4.3 -18.8 7.6 3 3 A G S S- 0 0 78 1,-0.2 -1,-0.2 2,-0.1 28,-0.0 -0.392 86.5 -44.6 -69.9 72.8 7.8 -17.2 8.0 4 4 A N - 0 0 71 -2,-2.7 -1,-0.2 -3,-0.3 -2,-0.1 0.845 48.4-140.4 69.9 114.8 6.6 -13.7 8.5 5 5 A L > + 0 0 5 -3,-0.2 3,-1.5 2,-0.1 23,-0.3 0.490 69.1 115.8 -82.2 -3.0 3.9 -12.2 6.2 6 6 A Q T 3 S+ 0 0 58 1,-0.3 23,-0.2 25,-0.1 24,-0.1 -0.458 77.8 22.3 -65.1 135.7 5.8 -8.9 6.2 7 7 A G T 3 S+ 0 0 9 21,-1.6 146,-2.6 1,-0.3 2,-0.3 0.639 105.2 109.2 79.9 12.8 7.1 -8.1 2.7 8 8 A K E < -A 152 0A 47 -3,-1.5 20,-2.6 20,-0.4 -1,-0.3 -0.768 51.8-155.9-112.8 163.4 4.5 -10.4 1.2 9 9 A F E -A 151 0A 13 142,-3.0 142,-2.1 -2,-0.3 2,-0.5 -0.992 7.2-141.7-140.3 150.5 1.5 -9.5 -0.9 10 10 A I E -A 150 0A 3 -2,-0.3 2,-1.0 140,-0.2 140,-0.2 -0.942 14.7-135.0-116.1 129.1 -1.8 -11.3 -1.6 11 11 A I E +A 149 0A 7 138,-3.1 138,-1.2 -2,-0.5 14,-0.1 -0.715 41.8 149.0 -86.4 103.8 -3.5 -11.2 -4.9 12 12 A A - 0 0 29 -2,-1.0 -1,-0.2 12,-0.1 13,-0.1 0.851 26.5-167.5 -94.8 -54.4 -7.2 -10.6 -4.3 13 13 A T - 0 0 85 11,-0.2 -2,-0.1 1,-0.1 12,-0.0 0.990 19.7-137.6 58.3 82.4 -8.2 -8.7 -7.4 14 14 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.312 12.2-123.6 -68.2 151.9 -11.7 -7.3 -6.5 15 15 A E S S- 0 0 188 -2,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.927 75.8 -70.0 -59.2 -46.2 -14.6 -7.4 -9.0 16 16 A M > + 0 0 122 5,-0.0 3,-0.8 -3,-0.0 5,-0.0 -0.152 62.1 176.2-168.5 -74.6 -14.9 -3.7 -8.5 17 17 A D T 3 S- 0 0 108 1,-0.3 2,-2.5 3,-0.0 3,-0.1 0.959 80.4 -43.5 51.5 73.0 -16.2 -2.6 -5.1 18 18 A D T 3 S+ 0 0 119 1,-0.1 -1,-0.3 25,-0.1 25,-0.1 -0.225 123.4 93.1 75.6 -49.7 -16.1 1.2 -5.2 19 19 A E < - 0 0 11 -2,-2.5 -1,-0.1 -3,-0.8 5,-0.1 -0.341 51.0-175.9 -72.3 156.9 -12.6 1.2 -6.8 20 20 A Y - 0 0 161 3,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.682 66.6 -46.4-124.6 -38.4 -12.4 1.4 -10.6 21 21 A F S S+ 0 0 115 2,-0.1 2,-1.8 -5,-0.0 3,-0.2 0.322 94.6 113.9-176.9 -12.6 -8.7 1.1 -11.7 22 22 A D S S- 0 0 27 1,-0.2 145,-0.0 145,-0.1 -2,-0.0 -0.485 92.2 -51.4 -93.8 73.2 -6.5 3.3 -9.5 23 23 A R - 0 0 93 -2,-1.8 2,-0.4 1,-0.1 -1,-0.2 0.772 55.5-159.8 71.5 123.7 -4.3 0.9 -7.6 24 24 A T - 0 0 52 1,-0.4 -11,-0.2 -3,-0.2 -12,-0.1 -0.920 55.8 -15.2-140.5 110.9 -5.7 -2.0 -5.6 25 25 A V - 0 0 35 -2,-0.4 -1,-0.4 -14,-0.1 15,-0.2 0.475 51.7-177.7 73.5 140.6 -3.8 -3.8 -2.8 26 26 A I - 0 0 50 13,-1.1 2,-0.3 1,-0.3 14,-0.1 0.561 46.7 -41.8-135.2 -58.4 -0.0 -3.4 -2.2 27 27 A Y E -B 39 0B 2 12,-0.6 12,-1.9 -18,-0.1 2,-0.4 -0.985 48.4 -92.7-168.0 171.4 1.5 -5.5 0.7 28 28 A I E -B 38 0B 2 -20,-2.6 -21,-1.6 -23,-0.3 -20,-0.4 -0.867 25.5-155.4 -98.7 133.7 1.3 -6.8 4.2 29 29 A C E - 0 0 11 8,-1.3 2,-0.3 -2,-0.4 9,-0.2 0.953 63.2 -30.7 -76.0 -52.6 3.0 -4.7 6.9 30 30 A E E -B 37 0B 64 7,-2.2 7,-1.5 -24,-0.1 2,-0.4 -0.977 45.7-129.2-161.1 169.9 3.8 -7.3 9.5 31 31 A H E +B 36 0B 46 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.947 37.1 158.7-134.2 111.0 2.7 -10.6 11.1 32 32 A N E > -B 35 0B 86 3,-2.7 3,-0.6 -2,-0.4 105,-0.3 -0.746 54.3-106.5-128.3 170.2 2.4 -10.8 14.9 33 33 A D T 3 S+ 0 0 148 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.818 120.5 57.3 -64.3 -32.0 0.6 -12.9 17.6 34 34 A N T 3 S- 0 0 138 1,-0.3 2,-0.3 101,-0.1 -1,-0.2 0.682 127.1 -71.0 -74.6 -18.1 -1.7 -10.0 18.1 35 35 A G E < -B 32 0B 5 -3,-0.6 -3,-2.7 100,-0.2 2,-0.6 -0.921 53.0 -67.8 152.3-177.5 -2.8 -10.1 14.5 36 36 A T E -BC 31 134B 4 98,-1.9 98,-3.1 -2,-0.3 2,-0.5 -0.939 39.2-155.0-113.3 117.6 -1.7 -9.5 10.9 37 37 A I E +BC 30 133B 28 -7,-1.5 -7,-2.2 -2,-0.6 -8,-1.3 -0.798 33.3 134.5 -96.3 124.8 -1.2 -5.8 9.9 38 38 A G E -BC 28 132B 2 94,-2.8 94,-2.5 -2,-0.5 2,-0.5 -0.985 53.1-126.0-160.4 164.7 -1.6 -5.0 6.2 39 39 A V E +B 27 0B 16 -12,-1.9 -13,-1.1 -2,-0.3 -12,-0.6 -0.753 67.9 110.3-119.4 81.6 -3.1 -2.7 3.7 40 40 A I + 0 0 14 -2,-0.5 -1,-0.1 35,-0.3 36,-0.1 0.269 44.3 96.2-134.0 6.7 -5.1 -4.9 1.3 41 41 A I S S- 0 0 81 34,-0.5 34,-0.1 -3,-0.2 35,-0.1 0.869 74.5-147.1 -70.6 -35.9 -8.7 -3.9 2.2 42 42 A N + 0 0 27 32,-0.2 -23,-0.1 1,-0.1 33,-0.1 0.898 36.2 151.1 64.0 103.6 -9.0 -1.4 -0.7 43 43 A T - 0 0 54 31,-0.4 31,-3.0 -25,-0.1 -1,-0.1 -0.569 24.1-162.4-161.3 91.5 -11.2 1.6 0.1 44 44 A P E -D 73 0C 29 0, 0.0 2,-0.2 0, 0.0 29,-0.2 -0.383 10.4-143.1 -72.9 154.6 -10.4 4.9 -1.7 45 45 A T E - 0 0 36 27,-1.9 27,-0.1 2,-0.3 -2,-0.0 -0.721 21.8-117.5-115.0 168.0 -11.7 8.2 -0.4 46 46 A D E S+ 0 0 170 -2,-0.2 2,-0.2 25,-0.1 27,-0.1 0.451 88.2 95.2 -82.5 -0.6 -13.0 11.4 -2.2 47 47 A L E - 0 0 55 25,-0.3 25,-2.6 4,-0.0 2,-0.3 -0.620 69.0-136.3 -92.4 152.4 -10.2 13.4 -0.6 48 48 A S E > -D 71 0C 13 23,-0.3 4,-2.0 -2,-0.2 23,-0.3 -0.753 16.1-123.0-109.1 154.5 -6.9 14.1 -2.3 49 49 A V H > S+ 0 0 20 21,-3.6 4,-1.3 -2,-0.3 22,-0.1 0.923 116.1 39.0 -61.3 -45.6 -3.4 13.9 -0.8 50 50 A L H > S+ 0 0 45 20,-0.4 4,-2.8 2,-0.2 5,-0.3 0.775 108.4 66.6 -75.7 -25.8 -2.5 17.5 -1.6 51 51 A E H > S+ 0 0 73 19,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.963 105.1 40.4 -57.4 -53.5 -6.1 18.5 -0.7 52 52 A L H X S+ 0 0 28 -4,-2.0 4,-1.9 2,-0.2 6,-0.2 0.873 115.2 53.2 -66.7 -36.5 -5.6 17.7 3.0 53 53 A L H <>S+ 0 0 19 -4,-1.3 5,-2.3 -5,-0.2 4,-0.5 0.966 115.5 37.2 -63.7 -51.6 -2.1 19.1 3.0 54 54 A T H <5S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.800 114.9 57.0 -72.5 -29.5 -3.0 22.5 1.6 55 55 A R H <5S+ 0 0 184 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.859 114.2 36.4 -69.6 -37.2 -6.3 22.6 3.5 56 56 A M T <5S- 0 0 132 -4,-1.9 -3,-0.1 -5,-0.2 -2,-0.1 0.912 131.2 -52.3 -82.3 -91.7 -4.7 22.2 6.9 57 57 A D T 5S+ 0 0 141 -4,-0.5 -3,-0.2 -5,-0.2 3,-0.2 0.065 114.8 84.5-146.8 24.3 -1.3 23.9 7.4 58 58 A F < + 0 0 81 -5,-2.3 -3,-0.1 -6,-0.2 -2,-0.1 -0.377 48.4 140.8-122.3 50.2 0.8 22.8 4.5 59 59 A Q + 0 0 164 1,-0.2 2,-1.5 -5,-0.2 -5,-0.1 0.836 54.9 68.8 -67.1 -37.6 -0.6 25.4 2.2 60 60 A M + 0 0 193 -3,-0.2 -1,-0.2 -7,-0.1 2,-0.2 -0.645 69.9 132.4 -90.8 84.2 2.7 26.1 0.4 61 61 A A - 0 0 44 -2,-1.5 3,-0.2 -11,-0.0 -2,-0.0 -0.402 63.2-102.3-111.3-165.6 3.4 23.0 -1.5 62 62 A K + 0 0 147 -2,-0.2 -2,-0.1 1,-0.1 55,-0.1 -0.534 67.5 125.7-125.4 67.1 4.4 22.4 -5.1 63 63 A P >> - 0 0 47 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.602 51.7-165.2 -88.8 -14.8 1.3 21.3 -7.2 64 64 A R G >4 - 0 0 168 1,-0.2 3,-0.8 -3,-0.2 -3,-0.0 -0.049 50.2 -44.1 56.9-163.4 1.9 24.2 -9.6 65 65 A I G 34 S+ 0 0 161 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.319 118.3 91.4 -82.4 9.1 -0.7 25.3 -12.1 66 66 A Y G <4 - 0 0 164 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.904 64.7-170.1 -67.7 -42.9 -1.5 21.6 -12.9 67 67 A T << + 0 0 122 -3,-0.8 -1,-0.1 -4,-0.6 -3,-0.1 0.157 41.2 127.0 73.3 -20.2 -4.2 21.6 -10.1 68 68 A Q - 0 0 141 -5,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.299 39.0-173.5 -66.0 153.5 -4.4 17.8 -10.6 69 69 A D - 0 0 46 -3,-0.1 2,-0.4 -20,-0.0 -1,-0.1 -0.768 24.5-110.1-139.2 178.7 -4.1 15.7 -7.4 70 70 A Q - 0 0 97 -2,-0.2 -21,-3.6 0, 0.0 -20,-0.4 -0.969 33.5-121.5-118.3 137.1 -3.8 12.2 -6.1 71 71 A M E -D 48 0C 82 -2,-0.4 2,-0.4 -23,-0.3 -23,-0.3 -0.545 21.4-132.3 -81.9 140.4 -6.6 10.6 -4.2 72 72 A V E - 0 0 4 -25,-2.6 -27,-1.9 -2,-0.2 -25,-0.3 -0.733 19.8-150.5 -93.9 137.7 -5.9 9.3 -0.7 73 73 A L E -De 44 128C 25 54,-1.1 56,-2.7 -2,-0.4 2,-0.5 -0.735 16.0-117.8-106.5 155.1 -7.0 5.8 0.3 74 74 A N E - e 0 129C 42 -31,-3.0 -31,-0.4 -2,-0.3 56,-0.2 -0.812 16.6-160.6 -89.4 127.7 -8.0 4.3 3.6 75 75 A G - 0 0 3 54,-2.7 -34,-0.5 -2,-0.5 57,-0.4 0.637 62.7 -54.0 -84.5 -15.0 -5.7 1.5 4.6 76 76 A G - 0 0 4 53,-1.0 -1,-0.3 55,-0.3 56,-0.2 -0.890 57.5 -77.8 159.2 175.1 -8.2 0.1 7.1 77 77 A P S S+ 0 0 106 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.611 104.7 80.2 -75.7 -12.2 -10.4 0.9 10.1 78 78 A V E S+F 131 0C 47 53,-1.7 53,-3.3 1,-0.2 -3,-0.1 -0.725 96.6 12.8 -98.0 145.4 -7.4 0.7 12.4 79 79 A N E > S+ 0 0 82 -2,-0.3 3,-1.8 51,-0.3 51,-0.7 0.772 71.3 152.6 64.9 30.7 -4.9 3.5 12.9 80 80 A Q E 3 + 0 0 82 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.592 59.1 77.2 -65.8 -9.2 -7.2 6.0 11.2 81 81 A D E 3 S+ 0 0 143 1,-0.1 2,-0.4 48,-0.1 -1,-0.3 0.705 96.3 45.3 -74.1 -20.0 -5.5 8.7 13.3 82 82 A R E < S- 0 0 138 -3,-1.8 48,-2.1 27,-0.0 2,-0.6 -0.949 73.1-132.5-134.8 143.2 -2.4 8.7 11.1 83 83 A G E -F 129 0C 21 -2,-0.4 2,-0.5 25,-0.3 46,-0.3 -0.851 23.7-149.0 -95.1 122.6 -1.6 8.8 7.4 84 84 A F E -F 128 0C 29 44,-3.3 44,-2.6 -2,-0.6 2,-0.6 -0.806 7.7-162.3 -97.0 126.1 1.0 6.2 6.4 85 85 A I E -FG 127 107C 20 22,-2.7 22,-2.9 -2,-0.5 2,-0.5 -0.929 1.2-161.7-111.4 115.2 3.3 7.1 3.5 86 86 A V E +FG 126 106C 7 40,-2.7 40,-2.7 -2,-0.6 2,-0.3 -0.841 23.9 162.2 -94.2 124.4 5.2 4.2 1.9 87 87 A H E -FG 125 105C 18 18,-2.0 18,-2.3 -2,-0.5 38,-0.2 -0.909 32.0-114.3-139.5 166.8 8.2 5.4 -0.2 88 88 A S - 0 0 8 36,-1.4 16,-0.1 -2,-0.3 2,-0.1 -0.346 51.0 -67.1 -93.2 174.1 11.4 4.1 -1.7 89 89 A K + 0 0 94 -2,-0.1 34,-0.3 33,-0.1 2,-0.3 -0.398 54.9 168.9 -57.6 134.8 15.1 4.9 -1.0 90 90 A T > - 0 0 34 1,-0.3 3,-0.9 3,-0.2 -3,-0.0 -0.825 54.0 -45.3-155.0 114.7 16.1 8.4 -1.8 91 91 A D T 3 S- 0 0 105 -2,-0.3 -1,-0.3 1,-0.2 29,-0.1 -0.243 92.0 -60.3 59.7-147.9 19.4 10.0 -0.8 92 92 A H T 3 S+ 0 0 174 -3,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.076 86.9 128.4-126.7 36.3 20.4 9.5 2.9 93 93 A E < + 0 0 101 -3,-0.9 -3,-0.2 27,-0.2 2,-0.1 -0.569 17.3 148.7 -90.5 161.0 17.6 11.0 4.9 94 94 A F + 0 0 118 -2,-0.2 -2,-0.0 17,-0.0 0, 0.0 -0.454 8.4 138.3 167.6 102.6 15.8 9.2 7.7 95 95 A T S S+ 0 0 88 -2,-0.1 2,-0.3 0, 0.0 15,-0.0 0.638 84.2 13.8-121.3 -55.0 14.3 10.6 10.9 96 96 A H S S+ 0 0 112 2,-0.0 12,-0.6 13,-0.0 13,-0.5 -0.623 88.5 131.9-127.1 71.0 10.9 9.0 11.5 97 97 A S E -H 107 0C 22 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.972 43.3-145.5-128.5 139.5 10.8 5.9 9.3 98 98 A Y E -H 106 0C 122 8,-3.2 8,-3.0 -2,-0.4 2,-0.7 -0.867 26.7-117.7-102.9 133.3 9.8 2.3 10.0 99 99 A K E +H 105 0C 130 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.603 41.0 160.4 -76.3 113.5 11.6 -0.5 8.2 100 100 A V S S- 0 0 6 4,-1.6 2,-0.2 -2,-0.7 -1,-0.2 0.832 80.6 -30.0 -85.5 -53.7 9.3 -2.6 6.1 101 101 A T S S- 0 0 44 3,-1.8 -1,-0.5 -3,-0.2 -94,-0.0 -0.726 82.8 -75.6-142.7-164.1 12.3 -3.8 4.1 102 102 A D S S+ 0 0 87 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 0.969 128.4 21.3 -67.4 -53.3 15.7 -2.4 3.2 103 103 A D S S+ 0 0 45 -14,-0.1 2,-0.6 -4,-0.0 -1,-0.2 0.829 110.9 80.8 -84.2 -34.3 14.5 0.0 0.4 104 104 A I - 0 0 2 -16,-0.1 -3,-1.8 -18,-0.1 -4,-1.6 -0.643 61.3-176.7 -81.5 121.6 10.9 0.3 1.5 105 105 A T E -GH 87 99C 11 -18,-2.3 -18,-2.0 -2,-0.6 2,-0.7 -0.970 18.4-146.0-124.1 129.0 10.5 2.8 4.3 106 106 A L E +GH 86 98C 19 -8,-3.0 -8,-3.2 -2,-0.4 2,-0.5 -0.833 21.8 178.2 -96.9 112.4 7.2 3.5 6.1 107 107 A T E +GH 85 97C 0 -22,-2.9 -22,-2.7 -2,-0.7 -10,-0.2 -0.959 19.7 142.9-118.7 128.4 7.0 7.2 7.2 108 108 A T + 0 0 36 -12,-0.6 2,-0.7 -2,-0.5 -25,-0.3 0.595 53.5 68.9-132.9 -29.7 3.9 8.5 9.0 109 109 A S S S- 0 0 59 -13,-0.5 2,-2.9 -27,-0.1 -1,-0.2 -0.849 113.9 -56.4-112.4 104.7 4.9 11.0 11.6 110 110 A G S >> S+ 0 0 43 -2,-0.7 3,-1.7 1,-0.2 4,-0.9 -0.214 115.3 87.0 75.9 -53.4 6.4 14.4 10.7 111 111 A D H >> S+ 0 0 9 -2,-2.9 4,-1.9 1,-0.3 3,-0.6 0.794 80.2 63.2 -56.3 -34.5 9.3 13.1 8.6 112 112 A V H 3> S+ 0 0 10 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.853 99.4 54.0 -59.2 -34.9 7.2 12.9 5.4 113 113 A L H <4 S+ 0 0 57 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.782 109.7 48.5 -70.6 -27.3 6.7 16.7 5.6 114 114 A D H << S+ 0 0 95 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.823 106.2 60.5 -77.2 -33.5 10.5 17.1 5.7 115 115 A S H >< S+ 0 0 15 -4,-1.9 3,-1.0 2,-0.1 5,-0.3 0.983 98.7 51.9 -60.8 -67.6 10.9 14.7 2.8 116 116 A F T 3< S+ 0 0 66 -4,-1.5 3,-0.1 1,-0.2 0, 0.0 -0.520 94.7 52.6 -79.5 140.2 9.1 16.5 -0.0 117 117 A G T 3 S+ 0 0 72 1,-0.6 2,-0.2 -2,-0.2 -1,-0.2 0.108 104.6 58.9 120.7 -17.7 10.0 20.1 -0.7 118 118 A T S X S- 0 0 77 -3,-1.0 3,-1.4 -4,-0.1 -1,-0.6 -0.758 100.3 -91.5-131.9 178.9 13.7 19.5 -1.0 119 119 A Q T 3 S+ 0 0 189 1,-0.3 -3,-0.1 -2,-0.2 -4,-0.1 0.440 117.9 69.1 -77.7 1.7 16.0 17.4 -3.2 120 120 A T T 3 S+ 0 0 24 -5,-0.3 -1,-0.3 -6,-0.2 -27,-0.2 0.206 71.2 127.7 -99.8 14.6 15.8 14.6 -0.7 121 121 A A < - 0 0 32 -3,-1.4 -5,-0.1 1,-0.1 -30,-0.1 -0.545 68.1-109.0 -71.5 130.9 12.2 14.0 -1.6 122 122 A P - 0 0 12 0, 0.0 -32,-0.1 0, 0.0 -1,-0.1 -0.331 17.5-131.2 -63.9 140.1 11.5 10.3 -2.5 123 123 A E S S+ 0 0 107 -34,-0.3 2,-0.4 1,-0.2 -33,-0.1 0.927 90.3 20.4 -55.1 -51.4 10.8 9.6 -6.2 124 124 A K + 0 0 112 2,-0.0 -36,-1.4 0, 0.0 2,-0.3 -0.966 69.2 162.3-128.1 138.2 7.7 7.6 -5.5 125 125 A F E - F 0 87C 87 -2,-0.4 2,-0.4 -38,-0.2 -38,-0.2 -0.985 18.5-155.8-154.0 144.3 5.5 7.5 -2.4 126 126 A I E - F 0 86C 46 -40,-2.7 -40,-2.7 -2,-0.3 2,-0.4 -0.951 10.9-150.1-122.3 144.4 2.0 6.3 -1.6 127 127 A V E + F 0 85C 23 -2,-0.4 -54,-1.1 -42,-0.2 2,-0.4 -0.938 15.9 173.6-119.4 134.3 -0.3 7.5 1.2 128 128 A C E -eF 73 84C 22 -44,-2.6 -44,-3.3 -2,-0.4 2,-0.7 -0.994 27.8-133.0-139.1 131.9 -2.9 5.5 3.1 129 129 A L E S-eF 74 83C 42 -56,-2.7 -54,-2.7 -2,-0.4 -53,-1.0 -0.755 74.4 -23.3 -84.6 116.8 -5.0 6.6 6.2 130 130 A G E S- 0 0 0 -48,-2.1 2,-0.3 -51,-0.7 -51,-0.3 -0.151 73.2-114.6 76.0-177.3 -4.9 3.8 8.7 131 131 A C E - F 0 78C 6 -53,-3.3 -53,-1.7 -56,-0.2 2,-0.4 -0.938 18.9-106.7-150.4 169.4 -4.3 0.1 8.1 132 132 A S E -C 38 0B 8 -94,-2.5 -94,-2.8 -57,-0.4 2,-0.6 -0.846 20.1-156.4-106.9 139.7 -6.1 -3.2 8.4 133 133 A T E -C 37 0B 69 -2,-0.4 -96,-0.2 -96,-0.2 2,-0.2 -0.952 11.2-155.6-117.5 114.2 -5.6 -5.9 11.1 134 134 A W E -C 36 0B 64 -98,-3.1 -98,-1.9 -2,-0.6 3,-0.1 -0.488 35.7 -83.2 -83.7 156.2 -6.6 -9.4 10.2 135 135 A K >> - 0 0 141 -100,-0.2 3,-1.1 -2,-0.2 4,-0.9 -0.260 59.7 -88.2 -58.6 141.5 -7.4 -12.0 12.8 136 136 A P T 34 S- 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -103,-0.1 -0.335 105.3 -12.3 -57.0 119.9 -4.4 -13.8 14.4 137 137 A H T 3> S+ 0 0 92 -105,-0.3 4,-1.1 -2,-0.1 -2,-0.1 0.286 109.9 105.8 74.8 -9.2 -3.4 -16.8 12.3 138 138 A Q H X> S+ 0 0 73 -3,-1.1 4,-2.2 1,-0.2 3,-0.9 0.955 73.5 52.8 -66.7 -51.0 -6.7 -16.6 10.4 139 139 A L H 3X S+ 0 0 3 -4,-0.9 4,-2.6 1,-0.3 5,-0.2 0.845 103.4 60.6 -54.4 -35.9 -5.2 -15.3 7.1 140 140 A E H 3> S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.900 107.8 43.2 -57.8 -43.3 -2.8 -18.2 7.2 141 141 A Q H S+ 0 0 44 -4,-2.2 5,-1.8 1,-0.2 6,-0.5 0.891 108.5 48.9 -62.6 -40.6 -7.5 -18.6 4.4 143 143 A I H ><5S+ 0 0 14 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.846 106.0 58.1 -65.8 -33.0 -4.3 -18.7 2.2 144 144 A A H 3<5S+ 0 0 68 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 99.0 58.1 -68.6 -25.1 -4.2 -22.5 2.8 145 145 A Q T 3<5S- 0 0 120 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.558 115.3-121.1 -76.0 -8.2 -7.7 -22.7 1.3 146 146 A N T < 5S+ 0 0 93 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.788 80.5 125.5 65.6 30.7 -6.2 -21.2 -1.8 147 147 A Y S - 0 0 123 -2,-0.7 3,-2.4 1,-0.1 2,-1.0 -0.530 41.6-101.1 -80.3 77.0 11.3 -8.9 -3.5 155 155 A N T >> S+ 0 0 28 -2,-2.1 4,-1.0 1,-0.3 3,-0.8 -0.136 121.2 37.9 50.0 -83.6 12.1 -5.4 -2.3 156 156 A Q H 3>>S+ 0 0 111 -2,-1.0 4,-2.9 1,-0.2 5,-2.6 0.863 110.8 62.8 -63.1 -35.6 12.2 -3.6 -5.8 157 157 A T H <45S+ 0 0 42 -3,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.809 98.6 58.2 -58.6 -30.3 9.3 -5.8 -6.9 158 158 A L H <45S+ 0 0 15 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.942 127.5 6.4 -67.0 -50.2 7.1 -4.2 -4.2 159 159 A F H <5S+ 0 0 34 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.1 0.705 141.5 23.9-112.1 -27.7 7.4 -0.6 -5.2 160 160 A E T ><5 - 0 0 57 -4,-2.9 3,-1.5 -5,-0.3 4,-0.4 0.855 64.6-178.3-105.4 -54.9 9.3 -0.5 -8.5 161 161 A T T 3 > S+ 0 0 92 -2,-0.3 4,-1.7 3,-0.1 3,-0.6 0.687 83.6 143.1 68.4 20.1 -2.1 -5.2 -12.7 169 169 A E H 3> + 0 0 58 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.832 62.2 59.1 -60.6 -36.3 1.6 -5.7 -11.9 170 170 A A H 34 S+ 0 0 27 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.865 109.7 43.0 -61.9 -36.2 0.7 -7.7 -8.8 171 171 A N H <>>S+ 0 0 26 -3,-0.6 5,-1.3 1,-0.2 4,-1.1 0.783 114.9 50.4 -79.8 -28.4 -1.2 -10.2 -10.9 172 172 A E H <5S+ 0 0 79 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.757 91.6 76.8 -80.3 -26.4 1.6 -10.2 -13.5 173 173 A M T <5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 105.6 35.6 -53.9 -33.8 4.3 -10.8 -10.9 174 174 A L T 45S- 0 0 95 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.844 132.2 -88.8 -88.0 -39.1 3.2 -14.4 -10.9 175 175 A G T <5S- 0 0 53 -4,-1.1 -3,-0.2 2,-0.1 -2,-0.1 0.612 75.8 -53.0 130.4 46.4 2.4 -14.6 -14.6 176 176 A I S