==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-11 3QBU . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR M.M.SHAIK,L.CENDRON,R.PERCUDANI,G.ZANOTTI . 1160 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 837 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 2.8 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 . 4 0.3 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 . 90 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.7 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 8 0 4 8 4 0 0 8 4 0 4 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 8 12 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 PARALLEL BRIDGES PER LADDER . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 2 A A 0 0 141 0, 0.0 2,-0.5 0, 0.0 270,-0.1 0.000 360.0 360.0 360.0 78.6 42.6 55.9 3.8 2 3 A K - 0 0 56 2,-0.0 2,-0.5 268,-0.0 236,-0.2 -0.899 360.0-169.2-103.3 125.6 42.6 52.9 6.1 3 4 A E E +a 238 0A 85 234,-3.5 236,-1.4 -2,-0.5 2,-0.7 -0.874 8.0 176.0-118.4 100.1 45.1 52.8 8.9 4 5 A I E -ab 239 272A 0 267,-1.7 269,-2.6 -2,-0.5 2,-0.9 -0.896 15.7-156.6-101.4 109.6 45.3 49.4 10.7 5 6 A L E -ab 240 273A 2 234,-2.6 236,-2.5 -2,-0.7 2,-0.4 -0.769 15.9-176.0 -88.5 107.2 48.1 49.4 13.3 6 7 A V E +ab 241 274A 0 267,-1.1 269,-1.8 -2,-0.9 2,-0.3 -0.851 5.8 169.8-109.3 142.4 49.1 45.8 13.9 7 8 A A E -a 242 0A 0 234,-1.5 236,-2.6 -2,-0.4 2,-0.5 -0.985 30.9-133.4-148.4 152.2 51.7 44.7 16.5 8 9 A Y E -a 243 0A 0 267,-0.4 49,-2.2 -2,-0.3 2,-0.6 -0.955 18.0-165.4-107.4 121.8 53.2 41.7 18.3 9 10 A G E -ac 244 57A 0 234,-3.1 236,-2.5 -2,-0.5 2,-0.7 -0.946 9.5-157.2-105.8 117.7 53.5 42.0 22.1 10 11 A V E -ac 245 58A 0 47,-3.6 49,-2.7 -2,-0.6 2,-0.7 -0.839 4.0-160.8-102.1 113.2 55.8 39.3 23.5 11 12 A D E - c 0 59A 4 234,-3.0 2,-1.9 -2,-0.7 3,-0.3 -0.802 9.6-151.1 -92.6 113.6 55.4 38.3 27.1 12 13 A I + 0 0 0 47,-2.1 4,-0.2 -2,-0.7 52,-0.2 -0.486 34.3 155.2 -88.4 72.0 58.5 36.6 28.3 13 14 A D >> + 0 0 0 -2,-1.9 4,-2.1 1,-0.1 3,-1.0 0.906 19.6 138.3 -61.5 -45.0 57.0 34.4 31.0 14 15 A A H 3> S- 0 0 0 -3,-0.3 4,-0.8 1,-0.3 3,-0.3 0.031 84.2 -13.5 31.1-127.0 59.7 31.8 30.8 15 16 A V H 3> S+ 0 0 0 19,-0.4 4,-1.4 1,-0.2 3,-0.3 0.800 134.2 65.4 -71.3 -30.0 60.6 30.7 34.3 16 17 A A H <> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.2 5,-0.3 0.896 96.1 56.7 -60.3 -43.4 58.8 33.6 36.0 17 18 A G H X>S+ 0 0 0 -4,-2.1 5,-3.2 -3,-0.3 4,-2.6 0.856 108.4 46.2 -55.8 -40.1 55.4 32.3 34.7 18 19 A W H <5S+ 0 0 2 -4,-0.8 6,-1.3 -3,-0.3 7,-1.3 0.791 116.2 46.7 -74.5 -27.8 55.8 28.9 36.4 19 20 A L H <5S+ 0 0 10 -4,-1.4 730,-0.4 5,-0.2 -2,-0.2 0.827 127.5 24.6 -79.9 -35.3 57.0 30.7 39.6 20 21 A G H <5S+ 0 0 17 -4,-2.8 71,-0.5 -5,-0.2 -3,-0.2 0.772 136.7 3.0-105.2 -31.7 54.2 33.2 39.7 21 22 A S T <5S+ 0 0 28 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.745 113.8 57.5-124.0 -45.0 51.2 31.9 37.8 22 23 A Y S + 0 0 0 -6,-1.3 3,-2.5 1,-0.2 7,-0.5 0.457 31.6 112.4 -93.4 -3.9 55.5 25.2 38.3 25 26 A E T 3 S+ 0 0 71 -7,-1.3 -1,-0.2 1,-0.3 -6,-0.1 0.798 88.6 28.1 -22.9 -58.1 57.2 26.3 41.5 26 27 A D T 3 S+ 0 0 101 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.037 99.9 99.3-109.1 25.0 58.1 22.8 42.7 27 28 A S X> - 0 0 10 -3,-2.5 4,-2.7 1,-0.2 3,-0.8 -0.850 47.1-171.9-121.1 95.9 58.4 21.2 39.3 28 29 A P H 3> S+ 0 0 38 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.839 92.6 56.1 -46.9 -35.0 61.9 20.7 37.9 29 30 A D H 3> S+ 0 0 1 2,-0.2 4,-1.0 1,-0.2 702,-0.2 0.869 109.0 42.8 -71.6 -36.9 60.2 19.6 34.7 30 31 A D H X> S+ 0 0 4 -3,-0.8 4,-1.5 2,-0.2 3,-1.0 0.952 111.9 53.6 -71.6 -51.9 58.1 22.8 34.3 31 32 A I H 3X S+ 0 0 3 -4,-2.7 4,-2.1 -7,-0.5 -2,-0.2 0.859 103.8 58.4 -48.0 -38.6 61.0 25.1 35.3 32 33 A S H 3X S+ 0 0 1 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.3 0.889 103.3 51.5 -61.3 -38.0 62.9 23.3 32.5 33 34 A R H S+ 0 0 0 -4,-1.1 5,-2.8 695,-0.2 4,-1.9 0.909 102.7 55.7 -65.7 -43.4 63.4 26.7 27.0 37 38 A A H <>S+ 0 0 0 -4,-1.5 5,-1.4 3,-0.2 -2,-0.2 0.931 117.1 33.5 -55.7 -51.0 61.4 29.8 26.6 38 39 A G H X5S+ 0 0 0 -4,-1.6 4,-0.7 3,-0.2 -2,-0.2 0.982 126.6 35.2 -69.8 -59.4 64.3 32.1 27.4 39 40 A E H <5S+ 0 0 56 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.859 138.3 13.3 -69.1 -40.3 67.3 30.3 25.9 40 41 A V T X5S+ 0 0 25 -4,-1.9 4,-1.1 -5,-0.4 -3,-0.2 0.741 125.9 54.8-107.8 -32.6 65.7 28.7 22.8 41 42 A G H > S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.852 108.1 56.1 -56.5 -36.1 66.0 33.7 19.6 44 45 A R H X S+ 0 0 20 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.864 108.7 46.6 -66.1 -37.2 63.5 31.8 17.4 45 46 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 -3,-0.4 5,-0.2 0.917 109.6 53.5 -68.8 -45.1 61.0 34.7 17.7 46 47 A L H X S+ 0 0 19 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.879 108.6 50.9 -55.7 -39.0 63.7 37.2 16.8 47 48 A K H X S+ 0 0 114 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.904 110.4 50.0 -63.5 -40.6 64.4 35.0 13.8 48 49 A L H X S+ 0 0 6 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.933 112.3 45.7 -62.2 -47.6 60.7 35.2 12.9 49 50 A F H ><>S+ 0 0 0 -4,-3.0 5,-3.1 1,-0.2 3,-0.7 0.900 112.3 50.3 -65.2 -42.9 60.5 38.9 13.3 50 51 A K H ><5S+ 0 0 162 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.844 101.9 61.7 -64.4 -37.6 63.7 39.6 11.3 51 52 A K H 3<5S+ 0 0 101 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.786 116.0 33.4 -57.7 -28.9 62.5 37.3 8.4 52 53 A Y T <<5S- 0 0 32 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.114 109.6-119.5-116.8 16.8 59.6 39.7 8.0 53 54 A H T < 5 + 0 0 172 -3,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.882 58.7 164.0 45.5 47.2 61.4 42.9 9.0 54 55 A L < - 0 0 12 -5,-3.1 -1,-0.2 -6,-0.1 2,-0.1 -0.767 34.0-143.1 -98.9 140.5 58.9 43.3 11.8 55 56 A P + 0 0 35 0, 0.0 -47,-0.3 0, 0.0 2,-0.3 -0.439 27.6 178.4 -83.3 171.3 59.2 45.5 14.9 56 57 A A - 0 0 0 -2,-0.1 25,-2.0 -49,-0.1 2,-0.4 -0.986 28.0-123.8-168.3 163.3 57.9 44.2 18.2 57 58 A T E -cd 9 81A 0 -49,-2.2 -47,-3.6 -2,-0.3 2,-0.6 -0.979 19.3-158.2-119.9 133.9 57.4 44.9 21.9 58 59 A W E -cd 10 82A 0 23,-3.3 25,-3.0 -2,-0.4 2,-1.0 -0.944 5.1-158.6-114.8 118.3 58.7 42.6 24.6 59 60 A F E -cd 11 83A 0 -49,-2.7 -47,-2.1 -2,-0.6 25,-0.2 -0.836 24.0-170.7 -96.0 102.7 57.2 42.7 28.1 60 61 A V - 0 0 1 23,-2.0 25,-0.5 -2,-1.0 26,-0.1 -0.843 18.8-134.8-108.1 117.4 60.0 41.1 30.1 61 62 A P > - 0 0 0 0, 0.0 4,-2.2 0, 0.0 26,-0.3 -0.378 26.1-118.5 -62.9 145.8 59.6 40.1 33.7 62 63 A G H > S+ 0 0 0 24,-3.1 4,-2.5 1,-0.2 5,-0.3 0.931 116.2 55.5 -47.5 -52.7 62.6 41.2 35.9 63 64 A H H > S+ 0 0 0 24,-1.1 4,-1.3 1,-0.3 699,-0.3 0.899 108.3 47.4 -47.1 -49.2 63.3 37.5 36.6 64 65 A S H > S+ 0 0 0 23,-0.5 4,-2.0 -3,-0.2 -1,-0.3 0.865 110.1 54.7 -61.9 -36.9 63.5 36.8 32.9 65 66 A I H < S+ 0 0 14 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.908 114.8 37.8 -60.7 -46.6 65.8 39.9 32.5 66 67 A E H < S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.566 118.7 49.7 -84.2 -11.3 68.2 38.6 35.1 67 68 A T H < S+ 0 0 1 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.716 117.2 35.7-100.6 -25.3 68.0 35.0 34.1 68 69 A F >X + 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-0.6 -0.445 67.0 153.2-124.6 61.3 68.5 35.3 30.3 69 70 A P H 3> S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.827 73.1 53.1 -63.9 -34.8 71.1 38.2 30.0 70 71 A E H 3> S+ 0 0 131 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.829 112.0 44.8 -69.0 -31.6 72.5 37.0 26.7 71 72 A Q H <> S+ 0 0 30 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.831 108.0 57.7 -82.3 -33.0 69.0 36.8 25.1 72 73 A M H >X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 3,-0.8 0.936 105.2 51.7 -58.8 -47.6 68.1 40.2 26.6 73 74 A K H 3X S+ 0 0 100 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.899 105.7 55.3 -52.1 -45.6 71.1 41.7 24.8 74 75 A M H 3< S+ 0 0 82 -4,-1.2 -1,-0.2 1,-0.2 4,-0.2 0.776 110.5 46.4 -59.9 -27.4 69.9 40.0 21.5 75 76 A I H X<>S+ 0 0 1 -4,-1.1 5,-1.3 -3,-0.8 3,-1.0 0.917 112.1 46.7 -85.5 -49.0 66.5 41.8 21.9 76 77 A V H ><5S+ 0 0 40 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.923 109.7 56.5 -54.4 -46.4 67.8 45.3 22.8 77 78 A D T 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.630 99.5 60.0 -64.9 -14.5 70.3 45.0 19.9 78 79 A A T < 5S- 0 0 56 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.589 115.0-114.6 -87.6 -10.7 67.4 44.4 17.4 79 80 A G T < 5 + 0 0 66 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.596 63.9 150.3 89.3 13.9 65.8 47.7 18.3 80 81 A H < - 0 0 25 -5,-1.3 -1,-0.3 -25,-0.1 2,-0.2 -0.422 48.8-107.4 -80.9 153.3 62.7 46.2 19.9 81 82 A E E -d 57 0A 15 -25,-2.0 -23,-3.3 -2,-0.1 2,-0.5 -0.582 26.2-149.0 -83.2 143.9 60.8 47.9 22.7 82 83 A V E +d 58 0A 2 -2,-0.2 38,-0.3 -25,-0.2 39,-0.3 -0.953 18.0 178.7-115.7 122.7 61.0 46.6 26.2 83 84 A G E -d 59 0A 0 -25,-3.0 -23,-2.0 -2,-0.5 39,-0.2 -0.724 31.3 -93.9-117.2 169.8 58.1 46.9 28.6 84 85 A A B +f 122 0B 0 37,-2.3 39,-1.3 -2,-0.2 3,-0.1 -0.404 36.3 164.8 -83.1 160.6 57.5 45.8 32.2 85 86 A H - 0 0 2 1,-0.6 4,-0.3 -25,-0.5 39,-0.1 -0.030 57.0 -87.2-168.0 41.0 55.8 42.6 33.3 86 87 A G - 0 0 4 -25,-0.1 -24,-3.1 3,-0.1 -1,-0.6 -0.216 40.8 -94.0 82.2-173.1 56.6 42.1 37.0 87 88 A Y S S+ 0 0 0 -26,-0.3 -24,-1.1 -25,-0.2 -23,-0.5 0.704 116.1 9.0-100.5 -76.3 59.6 40.3 38.4 88 89 A S S S- 0 0 0 -25,-0.1 -2,-0.1 -26,-0.1 661,-0.1 -0.132 112.5 -99.4 -94.3 36.5 58.6 36.7 39.0 89 90 A H + 0 0 2 -4,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.844 61.3 178.7 58.1 39.1 55.3 37.2 37.1 90 91 A E - 0 0 1 1,-0.1 -1,-0.2 2,-0.1 -69,-0.1 -0.562 37.5-108.7 -80.2 135.2 53.4 37.7 40.3 91 92 A N > - 0 0 36 -71,-0.5 3,-3.1 -2,-0.3 4,-0.4 -0.553 26.6-138.9 -67.8 112.5 49.6 38.4 40.0 92 93 A P G > S+ 0 0 0 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.642 98.0 61.7 -46.3 -23.9 49.4 42.1 41.1 93 94 A I G 3 S+ 0 0 72 1,-0.2 -2,-0.1 37,-0.0 4,-0.1 0.616 95.9 57.0 -89.6 -12.7 46.2 41.4 43.1 94 95 A A G < S+ 0 0 55 -3,-3.1 -1,-0.2 2,-0.1 2,-0.2 0.433 98.0 82.9 -93.0 -2.8 47.9 38.9 45.5 95 96 A M S < S- 0 0 23 -3,-0.6 2,-0.1 -4,-0.4 656,-0.0 -0.627 82.0-112.2-100.7 158.0 50.4 41.5 46.6 96 97 A S > - 0 0 70 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.377 39.2-106.2 -70.3 165.3 50.3 44.3 49.1 97 98 A T H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.840 126.1 50.2 -63.4 -29.2 50.5 47.8 47.6 98 99 A K H > S+ 0 0 101 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.940 109.9 46.5 -73.0 -49.0 54.0 47.8 49.0 99 100 A Q H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.934 115.2 48.1 -55.8 -47.1 55.0 44.4 47.4 100 101 A E H X S+ 0 0 8 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.792 112.7 48.1 -66.9 -30.2 53.5 45.5 44.1 101 102 A E H X S+ 0 0 57 -4,-1.3 4,-3.1 -5,-0.2 -1,-0.2 0.871 109.3 52.0 -78.2 -38.4 55.2 48.9 44.2 102 103 A D H X S+ 0 0 46 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.845 110.8 49.4 -63.2 -35.6 58.6 47.3 45.1 103 104 A V H X S+ 0 0 4 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.901 112.4 47.1 -69.6 -41.5 58.2 45.0 42.1 104 105 A L H X S+ 0 0 8 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.946 113.2 48.5 -65.1 -50.6 57.3 47.9 39.8 105 106 A L H X S+ 0 0 76 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.962 112.9 48.1 -48.2 -58.8 60.3 49.9 41.1 106 107 A K H X S+ 0 0 53 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.865 111.0 50.5 -54.6 -41.9 62.6 47.0 40.6 107 108 A S H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.900 107.4 54.8 -63.3 -42.0 61.3 46.3 37.0 108 109 A V H X S+ 0 0 31 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.929 111.5 42.4 -58.4 -48.0 61.8 49.9 36.1 109 110 A E H X S+ 0 0 94 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.770 111.2 56.0 -74.6 -26.7 65.4 50.0 37.0 110 111 A L H X S+ 0 0 16 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.935 111.6 43.0 -66.2 -45.8 66.1 46.6 35.5 111 112 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 5,-0.3 0.762 113.2 53.0 -73.9 -26.6 64.8 47.8 32.1 112 113 A K H X S+ 0 0 110 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.907 108.8 48.0 -74.4 -42.5 66.6 51.2 32.4 113 114 A D H < S+ 0 0 121 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.762 117.2 45.0 -66.2 -25.4 70.0 49.6 33.1 114 115 A L H < S+ 0 0 22 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.827 130.6 17.6 -88.9 -33.2 69.4 47.2 30.2 115 116 A T H < S- 0 0 34 -4,-1.7 -3,-0.2 2,-0.3 -2,-0.2 0.644 91.7-124.1-115.9 -23.9 68.1 49.7 27.6 116 117 A G S < S+ 0 0 56 -4,-2.7 2,-0.2 -5,-0.3 -4,-0.1 -0.233 87.2 77.0 101.1 -43.4 69.1 53.2 28.8 117 118 A K S S- 0 0 100 -6,-0.2 -2,-0.3 1,-0.0 -1,-0.3 -0.629 86.4-111.7 -94.1 154.7 65.5 54.5 28.8 118 119 A A - 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