==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-OCT-09 3KBJ . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR A.Y.KOVALEVSKY,L.HANSON,P.LANGAN . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 3 1 2 0 1 1 1 1 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 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 0 0 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 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 0 208 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.6 -5.0 -7.4 -13.5 2 2 A N - 0 0 117 2,-0.0 2,-0.3 310,-0.0 0, 0.0 -0.609 360.0-136.2-111.0 172.9 -5.4 -10.4 -15.8 3 3 A Y + 0 0 34 -2,-0.2 308,-0.2 2,-0.0 309,-0.1 -0.604 28.3 168.1-132.7 65.7 -7.4 -11.1 -18.9 4 4 A Q - 0 0 131 -2,-0.3 2,-0.2 307,-0.1 43,-0.1 -0.672 28.0-134.7 -83.5 120.4 -9.0 -14.6 -18.8 5 5 A P - 0 0 12 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.534 17.7-166.8 -78.3 150.9 -11.7 -15.3 -21.5 6 6 A T > - 0 0 66 -2,-0.2 3,-3.9 1,-0.0 5,-0.3 -0.943 39.1-107.0-122.9 150.6 -15.0 -17.0 -20.7 7 7 A P G > S+ 0 0 74 0, 0.0 3,-1.7 0, 0.0 42,-0.1 0.775 118.4 71.7 -48.1 -25.8 -17.5 -18.4 -23.2 8 8 A E G 3 S+ 0 0 176 1,-0.2 40,-0.1 2,-0.1 41,-0.0 0.687 84.3 68.3 -62.8 -13.8 -19.6 -15.3 -22.3 9 9 A D G < S- 0 0 37 -3,-3.9 -1,-0.2 38,-0.3 275,-0.1 0.601 101.9-136.5 -82.0 -8.1 -17.0 -13.4 -24.3 10 10 A R < + 0 0 63 -3,-1.7 274,-3.1 -4,-0.3 2,-0.5 0.795 39.6 167.4 58.8 36.0 -18.4 -15.1 -27.4 11 11 A F E -a 284 0A 1 -5,-0.3 38,-3.3 36,-0.3 39,-1.3 -0.714 10.2-178.1 -79.5 126.2 -14.9 -15.7 -28.8 12 12 A T E -ab 285 50A 0 272,-2.3 274,-2.8 -2,-0.5 2,-0.3 -0.894 13.2-161.9-129.7 158.6 -15.0 -18.1 -31.7 13 13 A F E -ab 286 51A 0 37,-1.4 39,-1.7 -2,-0.3 2,-0.2 -0.994 21.3-119.8-138.9 139.9 -12.5 -19.8 -34.0 14 14 A G E >> - b 0 52A 0 272,-1.3 3,-2.1 -2,-0.3 4,-0.8 -0.552 23.0-127.1 -76.5 143.6 -12.7 -21.5 -37.4 15 15 A L H 3> S+ 0 0 12 37,-2.4 4,-1.0 1,-0.3 -1,-0.1 0.877 111.0 58.8 -52.4 -36.6 -11.6 -25.1 -37.6 16 16 A W H 34 S+ 0 0 38 36,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.519 96.5 63.0 -73.0 -9.4 -9.3 -24.0 -40.4 17 17 A T H X4 S+ 0 0 0 -3,-2.1 3,-1.6 2,-0.2 -2,-0.2 0.964 114.1 24.7 -84.0 -65.3 -7.4 -21.5 -38.3 18 18 A V H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.1 0.771 123.9 59.3 -66.5 -20.7 -5.7 -23.4 -35.5 19 19 A G T 3< S+ 0 0 22 -4,-1.0 15,-0.3 -5,-0.4 -1,-0.3 0.465 73.1 125.9 -89.0 3.9 -5.9 -26.4 -37.9 20 20 A W < - 0 0 55 -3,-1.6 -3,-0.1 1,-0.2 -4,-0.0 -0.445 51.6-152.4 -62.7 124.7 -3.8 -24.7 -40.7 21 21 A Q - 0 0 72 -2,-0.3 9,-2.3 2,-0.1 10,-1.9 0.609 39.7-105.3 -79.4 -11.0 -1.0 -27.0 -41.6 22 22 A G + 0 0 0 1,-0.3 2,-0.5 7,-0.3 270,-0.1 0.581 65.9 149.4 102.9 5.1 1.4 -24.3 -42.7 23 23 A R + 0 0 144 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.590 16.8 168.2 -72.3 120.0 1.3 -24.8 -46.4 24 24 A D B > -J 27 0B 60 3,-1.4 3,-1.5 -2,-0.5 5,-0.0 -0.685 54.2 -87.4-123.7-177.7 1.9 -21.5 -48.2 25 25 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 0.819 128.0 40.6 -67.8 -22.1 2.5 -20.8 -51.9 26 26 A F T 3 S+ 0 0 195 1,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.289 115.9 39.9-102.3 10.7 6.3 -21.3 -51.3 27 27 A G B < -J 24 0B 19 -3,-1.5 -3,-1.4 0, 0.0 3,-0.1 -0.994 69.2-105.2-165.1 158.3 6.3 -24.2 -48.9 28 28 A D - 0 0 121 -2,-0.3 -4,-0.1 -5,-0.2 -2,-0.1 -0.231 58.3 -75.1 -71.7 163.5 5.2 -27.6 -47.6 29 29 A A - 0 0 28 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.309 36.6-168.3 -55.5 138.4 3.1 -28.2 -44.5 30 30 A T + 0 0 64 -9,-2.3 2,-0.4 1,-0.1 -8,-0.2 0.417 69.7 50.4-108.3 -4.9 5.1 -27.7 -41.2 31 31 A R S S- 0 0 14 -10,-1.9 -1,-0.1 264,-0.1 -8,-0.1 -0.985 83.4-115.6-132.9 145.8 2.4 -29.2 -38.9 32 32 A R - 0 0 197 -2,-0.4 -2,-0.1 1,-0.1 -10,-0.0 -0.253 49.1 -84.2 -71.6 163.7 0.5 -32.4 -39.0 33 33 A A - 0 0 65 1,-0.1 2,-0.4 -12,-0.0 -1,-0.1 -0.319 39.2-132.8 -66.9 152.4 -3.3 -32.3 -39.4 34 34 A L - 0 0 36 -15,-0.3 -1,-0.1 -3,-0.1 -13,-0.0 -0.901 14.5-124.1-103.4 136.8 -5.6 -31.7 -36.4 35 35 A D >> - 0 0 62 -2,-0.4 4,-1.9 1,-0.1 3,-0.7 -0.618 22.1-129.2 -69.1 129.2 -8.7 -33.8 -35.8 36 36 A P H 3> S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.827 109.1 57.4 -47.8 -34.5 -11.7 -31.4 -35.5 37 37 A V H 3> S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.925 104.8 50.1 -68.0 -39.1 -12.6 -33.1 -32.2 38 38 A E H <> S+ 0 0 79 -3,-0.7 4,-2.9 1,-0.2 5,-0.2 0.909 110.0 51.1 -62.9 -41.4 -9.2 -32.3 -30.8 39 39 A S H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.923 107.8 51.3 -62.0 -44.6 -9.6 -28.6 -31.8 40 40 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.933 113.3 46.3 -60.6 -42.7 -12.9 -28.3 -30.2 41 41 A R H X S+ 0 0 84 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 113.9 46.2 -64.2 -49.8 -11.5 -29.7 -27.0 42 42 A R H X S+ 0 0 88 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.908 114.3 47.8 -63.1 -41.2 -8.4 -27.6 -26.9 43 43 A L H X>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 4,-0.8 0.891 108.3 54.8 -65.9 -40.1 -10.3 -24.4 -27.7 44 44 A A H ><5S+ 0 0 31 -4,-2.1 3,-1.3 -5,-0.3 -1,-0.2 0.951 106.7 52.0 -58.0 -45.5 -12.9 -25.1 -25.1 45 45 A E H 3<5S+ 0 0 146 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.815 104.8 56.8 -62.0 -26.9 -10.1 -25.4 -22.6 46 46 A L H 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.588 123.9-100.0 -83.3 -8.5 -8.8 -22.0 -23.7 47 47 A G T <<5 + 0 0 8 -3,-1.3 -36,-0.3 -4,-0.8 -38,-0.3 0.463 68.0 154.3 108.4 4.1 -12.1 -20.3 -22.9 48 48 A A < - 0 0 3 -5,-2.1 -1,-0.3 1,-0.1 -36,-0.2 -0.327 39.5-146.7 -66.1 154.3 -13.5 -20.1 -26.4 49 49 A H - 0 0 31 -38,-3.3 36,-1.9 1,-0.2 2,-0.3 0.735 67.3 -29.9 -90.3 -30.1 -17.3 -19.9 -26.9 50 50 A G E -bc 12 85A 0 -39,-1.3 -37,-1.4 34,-0.2 2,-0.3 -0.980 51.6-115.4-171.4-179.3 -17.6 -21.9 -30.2 51 51 A V E -b 13 0A 0 34,-2.1 37,-0.5 -2,-0.3 2,-0.3 -0.871 16.4-152.9-129.0 163.6 -16.1 -23.0 -33.5 52 52 A T E -bc 14 88A 0 -39,-1.7 -37,-2.4 -2,-0.3 2,-0.3 -0.853 14.8-166.2-129.8 167.1 -17.1 -22.5 -37.1 53 53 A F E - c 0 89A 0 35,-0.7 37,-2.3 -2,-0.3 2,-0.3 -0.999 25.4-131.3-154.0 154.1 -16.4 -24.6 -40.2 54 54 A H E >> - c 0 90A 16 -2,-0.3 3,-1.9 35,-0.2 4,-1.2 -0.792 43.0-113.2 -86.0 145.8 -16.4 -24.9 -43.9 55 55 A D H >> S+ 0 0 14 35,-1.3 4,-2.8 -2,-0.3 3,-0.8 0.908 119.0 51.8 -44.5 -48.6 -18.2 -28.0 -45.1 56 56 A D H 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.586 100.6 61.5 -71.6 -10.9 -14.9 -29.4 -46.3 57 57 A D H <4 S+ 0 0 51 -3,-1.9 -1,-0.2 3,-0.1 -2,-0.2 0.812 116.6 30.9 -76.2 -32.6 -13.2 -28.8 -43.0 58 58 A L H << S+ 0 0 6 -4,-1.2 -2,-0.2 -3,-0.8 -3,-0.1 0.827 128.1 35.1 -95.2 -42.4 -15.6 -31.2 -41.3 59 59 A I S < S- 0 0 13 -4,-2.8 -1,-0.3 -5,-0.2 4,-0.1 -0.935 90.0-120.7-121.7 112.9 -16.4 -33.7 -44.0 60 60 A P > - 0 0 64 0, 0.0 3,-0.6 0, 0.0 -3,-0.1 -0.143 43.4 -91.7 -49.4 136.4 -13.5 -34.5 -46.4 61 61 A F T 3 S+ 0 0 92 -5,-0.3 -5,-0.0 1,-0.2 -6,-0.0 -0.257 112.8 22.2 -53.9 138.1 -14.4 -33.7 -50.0 62 62 A G T 3 S+ 0 0 72 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.878 84.7 159.1 67.5 42.2 -16.0 -36.7 -51.7 63 63 A S < - 0 0 19 -3,-0.6 -1,-0.2 -4,-0.1 2,-0.1 -0.735 44.2-113.6 -90.9 140.6 -17.1 -38.5 -48.5 64 64 A S > - 0 0 60 -2,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.458 30.4-109.3 -69.4 151.4 -19.9 -41.1 -48.8 65 65 A D H > S+ 0 0 111 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.781 122.8 55.9 -52.6 -27.6 -23.1 -40.1 -47.0 66 66 A S H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.917 107.9 44.3 -67.6 -50.2 -22.1 -42.9 -44.5 67 67 A E H > S+ 0 0 92 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.916 112.5 56.9 -61.1 -39.4 -18.7 -41.3 -43.8 68 68 A R H X S+ 0 0 48 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.936 105.2 46.5 -52.6 -59.8 -20.5 -38.0 -43.6 69 69 A E H X S+ 0 0 153 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.907 113.5 52.3 -55.9 -40.0 -23.0 -39.0 -40.8 70 70 A E H X S+ 0 0 113 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.885 108.4 48.5 -62.3 -42.1 -20.1 -40.5 -39.0 71 71 A H H X S+ 0 0 56 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.889 113.6 48.3 -67.8 -37.8 -18.0 -37.3 -39.2 72 72 A V H X S+ 0 0 18 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.926 108.3 52.2 -69.2 -47.8 -20.9 -35.2 -38.0 73 73 A K H X S+ 0 0 136 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.892 110.2 49.3 -58.4 -42.3 -21.8 -37.5 -35.0 74 74 A R H X S+ 0 0 107 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.921 112.7 47.9 -59.8 -43.2 -18.2 -37.4 -33.8 75 75 A F H X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.2 3,-0.3 0.961 110.8 50.7 -61.2 -52.3 -18.2 -33.6 -34.1 76 76 A R H X S+ 0 0 100 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.816 106.6 54.4 -53.2 -41.5 -21.5 -33.3 -32.3 77 77 A Q H X S+ 0 0 99 -4,-2.2 4,-2.4 2,-0.2 -1,-0.3 0.870 106.9 52.1 -64.5 -36.3 -20.4 -35.5 -29.4 78 78 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.3 6,-0.4 0.893 109.5 49.2 -67.5 -35.9 -17.4 -33.2 -29.0 79 79 A L H X>S+ 0 0 12 -4,-1.8 4,-2.4 2,-0.2 5,-0.7 0.921 111.7 48.9 -67.9 -40.6 -19.7 -30.2 -28.8 80 80 A D H <5S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 110.9 50.1 -64.6 -41.2 -21.9 -31.9 -26.3 81 81 A D H <5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.752 122.4 31.5 -69.2 -26.0 -19.0 -32.8 -24.1 82 82 A T H <5S- 0 0 44 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.636 96.6-123.6-108.1 -19.2 -17.6 -29.3 -24.1 83 83 A G T <5 + 0 0 46 -4,-2.4 -3,-0.2 1,-0.2 -4,-0.1 0.602 56.9 155.4 82.1 4.8 -20.6 -27.0 -24.3 84 84 A M < - 0 0 7 -5,-0.7 -34,-0.2 -6,-0.4 -1,-0.2 -0.421 30.2-146.6 -69.0 143.1 -19.0 -25.4 -27.5 85 85 A K E -c 50 0A 119 -36,-1.9 -34,-2.1 -3,-0.1 45,-0.1 -0.682 11.0-141.1-104.8 166.4 -21.5 -23.8 -29.9 86 86 A V E + 0 0 6 43,-0.4 -34,-0.1 -2,-0.2 46,-0.1 -0.810 30.2 162.8-120.8 84.7 -21.5 -23.5 -33.7 87 87 A P E + 0 0 10 0, 0.0 46,-1.8 0, 0.0 45,-1.7 0.704 63.8 26.2 -79.6 -19.4 -22.8 -19.9 -34.5 88 88 A M E +cd 52 133A 2 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.995 58.6 178.6-143.0 148.2 -21.6 -19.7 -38.0 89 89 A A E -cd 53 134A 0 44,-1.9 46,-2.8 -2,-0.4 2,-0.3 -0.945 6.4-175.2-140.8 169.1 -20.9 -22.0 -40.9 90 90 A T E -cd 54 135A 5 -37,-2.3 -35,-1.3 -2,-0.3 2,-0.4 -0.939 24.2-106.3-156.2 171.1 -19.7 -21.5 -44.5 91 91 A T - 0 0 11 44,-0.8 2,-1.2 -2,-0.3 46,-0.3 -0.881 21.9-129.9-107.3 138.0 -19.0 -23.3 -47.8 92 92 A N + 0 0 10 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.740 42.3 154.5 -84.1 103.5 -15.6 -24.1 -49.3 93 93 A L + 0 0 14 -2,-1.2 47,-0.3 44,-0.3 -1,-0.1 -0.211 64.3 54.5-112.4 39.5 -16.1 -22.9 -52.8 94 94 A F S S+ 0 0 33 45,-0.1 -1,-0.1 8,-0.1 8,-0.1 0.606 87.9 63.6-143.3 -18.8 -12.4 -22.2 -53.5 95 95 A T S S+ 0 0 88 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.927 81.2 79.0 -86.1 -43.5 -10.1 -25.1 -52.8 96 96 A H S > S- 0 0 67 -4,-0.2 3,-3.2 1,-0.1 4,-0.1 -0.426 83.9-123.5 -68.4 137.3 -11.1 -27.7 -55.3 97 97 A P G > S+ 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.745 107.7 73.7 -52.0 -25.8 -9.8 -27.2 -58.9 98 98 A V G 3 S+ 0 0 50 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.808 95.6 52.3 -62.0 -21.2 -13.3 -27.3 -60.1 99 99 A F G X S+ 0 0 0 -3,-3.2 3,-2.3 1,-0.2 -1,-0.3 0.240 70.8 118.3 -97.0 20.0 -13.7 -23.8 -58.6 100 100 A K T < S+ 0 0 156 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.761 85.4 36.1 -59.0 -25.4 -10.6 -22.3 -60.3 101 101 A D T 3 S- 0 0 35 1,-0.4 41,-0.3 -3,-0.4 -1,-0.3 0.183 129.7 -86.6-110.4 15.7 -12.8 -19.7 -62.1 102 102 A G < - 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0 0 4 -5,-3.1 -1,-0.2 -6,-0.2 -43,-0.2 -0.375 22.4-167.1 -69.0 146.5 -25.8 -22.0 -36.7 132 132 A E S S+ 0 0 124 -45,-1.7 45,-1.6 1,-0.2 2,-0.4 0.622 71.7 48.5-104.5 -15.3 -27.4 -18.6 -36.9 133 133 A T E -de 88 177A 8 -46,-1.8 -44,-1.9 43,-0.2 2,-0.6 -0.988 62.1-160.3-129.0 131.9 -25.2 -17.1 -39.6 134 134 A Y E -de 89 178A 3 43,-3.2 45,-2.0 -2,-0.4 2,-0.3 -0.953 18.1-151.3-113.4 119.9 -24.1 -18.5 -43.0 135 135 A V E -de 90 179A 2 -46,-2.8 -44,-0.8 -2,-0.6 2,-0.5 -0.673 9.3-165.1 -95.3 141.8 -21.0 -16.9 -44.4 136 136 A A E + e 0 180A 18 43,-2.3 45,-2.5 -2,-0.3 2,-0.6 -0.965 7.3 179.1-123.5 113.1 -20.2 -16.6 -48.1 137 137 A W - 0 0 45 -2,-0.5 2,-2.1 -46,-0.3 -44,-0.3 -0.945 16.6-156.4-112.8 107.0 -16.7 -15.6 -49.1 138 138 A G > + 0 0 24 -2,-0.6 3,-1.2 43,-0.5 54,-0.3 -0.487 29.3 160.5 -85.1 67.9 -16.4 -15.5 -52.9 139 139 A G T 3 S+ 0 0 0 -2,-2.1 49,-0.7 1,-0.3 -1,-0.2 0.720 75.2 37.3 -59.7 -31.8 -12.6 -16.1 -52.8 140 140 A R T 3 S+ 0 0 69 -47,-0.3 2,-1.0 -3,-0.2 -1,-0.3 0.346 86.7 108.7-105.3 5.6 -12.5 -17.3 -56.5 141 141 A E < + 0 0 3 -3,-1.2 51,-2.7 51,-0.1 2,-0.3 -0.719 68.6 51.0 -84.2 103.5 -15.1 -14.9 -57.9 142 142 A G E S-K 191 0C 1 -2,-1.0 2,-0.3 -41,-0.3 49,-0.2 -0.966 74.8 -99.3 165.8-150.8 -13.0 -12.5 -59.9 143 143 A A E -K 190 0C 14 47,-1.8 47,-1.6 -2,-0.3 3,-0.1 -0.989 10.4-148.6-163.7 155.2 -10.3 -12.4 -62.6 144 144 A E S S+ 0 0 120 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.519 92.0 41.0 -98.6 -16.6 -6.6 -12.0 -63.5 145 145 A S S > S- 0 0 75 1,-0.1 3,-0.5 45,-0.1 4,-0.4 -0.945 79.2-121.2-137.6 156.3 -7.4 -10.3 -66.8 146 146 A G G > S+ 0 0 78 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.831 108.2 44.4 -63.9 -38.0 -9.8 -7.8 -68.2 147 147 A G G 3 S+ 0 0 81 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.689 94.4 77.7 -88.6 -11.1 -11.5 -9.9 -70.8 148 148 A A G < S+ 0 0 37 -3,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.704 100.2 33.9 -71.3 -20.0 -12.0 -13.0 -68.8 149 149 A K < - 0 0 16 -3,-0.6 2,-0.8 -4,-0.4 -1,-0.2 -0.948 62.5-149.6-143.3 116.7 -15.0 -11.7 -66.9 150 150 A D > - 0 0 75 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.769 21.8-156.3 -79.4 113.5 -17.9 -9.4 -67.8 151 151 A V H > S+ 0 0 71 -2,-0.8 4,-2.4 1,-0.3 5,-0.2 0.846 86.9 54.4 -73.0 -29.3 -18.5 -7.9 -64.5 152 152 A R H > S+ 0 0 191 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.920 111.9 45.0 -66.1 -37.9 -22.1 -6.9 -65.1 153 153 A D H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.885 112.0 53.1 -70.2 -36.2 -22.9 -10.5 -66.1 154 154 A A H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.925 108.3 49.0 -64.8 -38.0 -21.0 -11.8 -63.1 155 155 A L H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.878 108.8 54.3 -68.5 -34.2 -23.0 -9.6 -60.8 156 156 A D H X S+ 0 0 87 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.940 111.0 45.6 -58.3 -44.0 -26.2 -10.8 -62.4 157 157 A R H X S+ 0 0 73 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.840 111.9 51.7 -70.3 -30.6 -25.1 -14.3 -61.7 158 158 A M H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.920 110.8 46.5 -72.1 -42.8 -24.1 -13.4 -58.1 159 159 A K H X S+ 0 0 54 -4,-2.7 4,-2.6 1,-0.2 48,-0.2 0.895 110.8 54.6 -63.8 -38.7 -27.4 -11.9 -57.4 160 160 A E H X S+ 0 0 92 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.923 109.6 47.0 -59.2 -46.8 -29.1 -14.9 -59.0 161 161 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.942 115.0 44.4 -59.8 -53.1 -27.2 -17.3 -56.6 162 162 A F H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.856 111.8 53.0 -66.6 -33.6 -27.9 -15.3 -53.5 163 163 A D H X S+ 0 0 26 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.929 109.2 49.7 -67.4 -38.9 -31.6 -14.8 -54.4 164 164 A L H X S+ 0 0 72 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 110.4 49.9 -64.4 -42.6 -32.0 -18.6 -54.9 165 165 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.885 110.1 51.6 -63.2 -34.8 -30.4 -19.2 -51.5 166 166 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.882 109.6 49.5 -68.0 -36.6 -32.7 -16.7 -50.0 167 167 A E H X S+ 0 0 114 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.950 110.6 50.6 -65.2 -44.0 -35.6 -18.5 -51.6 168 168 A Y H X S+ 0 0 44 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.962 110.8 47.1 -58.3 -55.2 -34.4 -21.8 -50.3 169 169 A V H <>S+ 0 0 2 -4,-2.4 5,-2.1 1,-0.2 4,-0.5 0.912 114.9 46.2 -56.7 -43.6 -34.0 -20.7 -46.7 170 170 A T H ><5S+ 0 0 55 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.882 111.8 51.9 -69.4 -32.0 -37.4 -19.0 -46.6 171 171 A S H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.2 46.9 -73.6 -29.8 -39.1 -22.0 -48.2 172 172 A Q T 3<5S- 0 0 94 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.527 109.8-124.1 -83.8 -4.9 -37.6 -24.3 -45.6 173 173 A G T < 5 + 0 0 57 -3,-0.7 -3,-0.2 -4,-0.5 2,-0.1 0.759 51.5 167.8 65.7 24.8 -38.6 -22.0 -42.8 174 174 A Y < - 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0 0 0 -35,-2.8 29,-0.2 -2,-0.3 26,-0.1 -0.777 27.2-168.8-122.1 80.5 -18.9 -10.3 -42.5 216 216 A P - 0 0 0 0, 0.0 29,-2.6 0, 0.0 2,-0.4 -0.375 7.6-148.2 -70.8 154.0 -16.0 -7.8 -42.8 217 217 A E B > -h 245 0A 1 -35,-0.3 4,-1.7 27,-0.2 5,-0.3 -0.990 12.7-134.8-125.5 135.6 -12.4 -9.0 -42.0 218 218 A V H > S+ 0 0 9 27,-1.9 4,-1.7 -2,-0.4 5,-0.2 0.921 104.9 43.8 -50.5 -56.8 -9.7 -6.8 -40.5 219 219 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.838 109.0 60.2 -62.4 -33.2 -6.9 -7.8 -42.8 220 220 A H H >4 S+ 0 0 4 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.945 107.1 41.1 -66.8 -49.1 -9.1 -7.7 -45.9 221 221 A E H ><>S+ 0 0 6 -4,-1.7 5,-2.3 1,-0.2 3,-1.3 0.864 112.9 57.0 -64.9 -33.4 -10.1 -4.0 -45.7 222 222 A Q H ><5S+ 0 0 16 -4,-1.7 3,-1.3 -5,-0.3 -1,-0.2 0.747 93.5 66.7 -71.6 -18.7 -6.5 -3.2 -44.7 223 223 A M T <<5S+ 0 0 6 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.636 103.7 47.0 -73.1 -12.1 -5.3 -4.9 -47.9 224 224 A A T < 5S- 0 0 40 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.233 120.7-113.7-103.4 4.7 -7.0 -2.0 -49.7 225 225 A G T < 5 + 0 0 52 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.715 69.1 147.9 71.6 17.3 -5.4 0.5 -47.3 226 226 A L < - 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