==== 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 HYDROLASE 27-NOV-06 2E3J . COMPND 2 MOLECULE: EPOXIDE HYDROLASE EPHB; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR B.K.BISWAL,MYCOBACTERIUM TUBERCULOSIS STRUCTURAL PROTEOMICS . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 2 2 3 1 1 0 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 4 A V 0 0 124 0, 0.0 15,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -55.9 21.2 -4.6 30.7 2 5 A H E +A 15 0A 100 13,-0.2 2,-0.3 11,-0.0 13,-0.2 -0.691 360.0 178.0 -90.9 136.7 18.8 -3.0 33.2 3 6 A R E -A 14 0A 107 11,-2.9 11,-2.3 -2,-0.4 2,-0.6 -0.985 23.3-148.9-138.8 148.5 19.0 0.7 34.0 4 7 A I E -A 13 0A 84 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 22.4-169.1-117.0 113.7 17.0 3.1 36.1 5 8 A L E -A 12 0A 4 7,-3.1 7,-2.7 -2,-0.6 2,-0.8 -0.796 19.5-139.7-106.0 146.0 17.0 6.7 34.8 6 9 A N E -A 11 0A 115 -2,-0.3 2,-1.3 5,-0.2 5,-0.2 -0.864 17.5-171.7-104.1 100.4 15.8 9.8 36.5 7 10 A C E > S-A 10 0A 1 3,-3.1 3,-1.3 -2,-0.8 78,-0.1 -0.709 70.5 -56.9 -94.7 85.7 14.0 11.9 33.9 8 11 A R T 3 S- 0 0 123 -2,-1.3 -1,-0.2 1,-0.3 3,-0.1 0.881 121.6 -27.1 43.2 54.6 13.4 15.1 35.8 9 12 A G T 3 S+ 0 0 59 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.327 118.9 105.2 96.9 -7.6 11.6 13.5 38.7 10 13 A T E < -A 7 0A 6 -3,-1.3 -3,-3.1 56,-0.0 2,-0.6 -0.931 65.8-136.1-111.9 125.2 10.2 10.5 36.8 11 14 A R E -A 6 0A 107 -2,-0.5 55,-2.8 -5,-0.2 2,-0.5 -0.684 24.0-173.1 -79.7 119.6 11.8 7.0 37.2 12 15 A I E -A 5 0A 0 -7,-2.7 -7,-3.1 -2,-0.6 2,-0.3 -0.970 8.8-153.8-118.8 120.0 12.2 5.4 33.8 13 16 A H E +A 4 0A 1 -2,-0.5 45,-2.1 45,-0.4 2,-0.3 -0.649 21.2 172.8 -89.4 147.3 13.3 1.8 33.7 14 17 A A E -AB 3 57A 0 -11,-2.3 -11,-2.9 -2,-0.3 2,-0.5 -0.990 33.5-135.3-153.6 160.0 15.1 0.5 30.6 15 18 A V E -AB 2 56A 5 41,-2.2 41,-2.2 -2,-0.3 2,-0.2 -0.987 33.5-170.2-117.9 119.1 17.0 -2.4 29.1 16 19 A A E + B 0 55A 18 -15,-3.5 2,-0.3 -2,-0.5 39,-0.2 -0.720 14.1 171.0-111.8 161.7 20.1 -1.4 27.2 17 20 A D E + B 0 54A 65 37,-1.8 37,-2.8 -2,-0.2 -2,-0.0 -0.938 11.5 143.6-164.8 144.1 22.6 -3.0 24.9 18 21 A S - 0 0 40 -2,-0.3 35,-0.2 35,-0.2 30,-0.1 -0.977 53.1 -54.8-170.2 175.7 25.5 -1.8 22.8 19 22 A P > - 0 0 23 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.276 56.7-110.0 -61.2 154.4 29.0 -2.6 21.5 20 23 A P T 3 S+ 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.798 119.5 63.7 -56.6 -29.3 31.6 -3.4 24.3 21 24 A D T 3 S- 0 0 89 2,-0.1 3,-0.1 1,-0.1 0, 0.0 0.682 106.0-132.4 -67.9 -16.8 33.3 -0.1 23.5 22 25 A Q < + 0 0 144 -3,-2.3 2,-0.3 1,-0.3 -1,-0.1 0.857 66.3 119.1 64.8 37.4 30.1 1.5 24.6 23 26 A Q + 0 0 122 -4,-0.1 -1,-0.3 29,-0.1 -2,-0.1 -0.891 25.0 90.2-128.5 158.6 30.1 3.8 21.6 24 27 A G S S- 0 0 26 -2,-0.3 28,-0.2 -3,-0.1 27,-0.1 -0.518 78.9 -52.8 133.2 157.8 27.6 4.2 18.7 25 28 A P - 0 0 30 0, 0.0 28,-3.0 0, 0.0 2,-0.4 -0.252 61.4-111.8 -59.0 151.0 24.6 6.3 17.8 26 29 A L E -c 53 0A 3 68,-0.4 70,-2.5 26,-0.2 2,-0.4 -0.701 31.0-170.0 -87.3 136.6 21.8 6.1 20.4 27 30 A V E -cd 54 96A 0 26,-3.0 28,-2.7 -2,-0.4 2,-0.5 -0.990 4.5-161.1-127.6 120.2 18.6 4.4 19.4 28 31 A V E -cd 55 97A 0 68,-2.8 70,-2.7 -2,-0.4 2,-0.5 -0.885 4.8-155.0-104.1 130.4 15.6 4.7 21.8 29 32 A L E -cd 56 98A 0 26,-3.3 28,-1.4 -2,-0.5 2,-0.5 -0.922 5.2-164.8-110.3 126.0 12.7 2.1 21.5 30 33 A L E - d 0 99A 0 68,-3.2 70,-2.2 -2,-0.5 73,-0.2 -0.931 8.5-154.8-112.2 117.7 9.2 3.1 22.6 31 34 A H - 0 0 0 -2,-0.5 6,-0.1 26,-0.5 2,-0.1 -0.356 8.5-143.6 -85.4 168.8 6.7 0.3 23.1 32 35 A G > - 0 0 0 70,-0.2 3,-2.3 4,-0.2 69,-0.2 -0.143 41.9 -12.7-111.7-151.8 2.9 0.6 22.9 33 36 A F T 3 S- 0 0 6 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.820 123.6 -3.6-103.0 131.9 -0.3 -0.8 24.5 34 37 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.054 114.2 102.5-106.3 88.2 -0.4 -3.1 26.4 35 38 A E < - 0 0 4 -3,-2.3 2,-0.3 215,-0.0 28,-0.2 -0.245 47.3-144.9-117.8-155.3 3.3 -3.8 25.9 36 39 A S > - 0 0 1 -2,-0.1 3,-1.6 26,-0.1 4,-0.3 -0.935 46.1 -85.6-161.7 175.4 6.8 -3.6 27.4 37 40 A W G > S+ 0 0 34 -2,-0.3 3,-2.2 1,-0.3 21,-0.1 0.861 122.0 72.2 -61.0 -29.4 10.4 -3.1 26.6 38 41 A Y G > S+ 0 0 41 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.724 77.8 74.3 -56.7 -25.0 10.2 -6.9 26.0 39 42 A S G < S+ 0 0 0 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.720 95.3 51.6 -62.7 -20.6 8.3 -6.2 22.8 40 43 A W G X> S+ 0 0 0 -3,-2.2 4,-2.3 -4,-0.3 3,-1.9 0.208 72.5 120.0-100.1 14.4 11.6 -5.2 21.2 41 44 A R T <4 S+ 0 0 34 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.776 76.0 48.5 -50.4 -31.9 13.4 -8.4 22.3 42 45 A H T 34 S+ 0 0 76 -3,-0.3 4,-0.4 -4,-0.2 -1,-0.3 0.620 113.9 45.7 -85.5 -13.8 14.2 -9.3 18.7 43 46 A Q T <> S+ 0 0 0 -3,-1.9 4,-3.3 2,-0.1 5,-0.4 0.814 97.0 70.0 -94.9 -39.3 15.5 -5.8 17.7 44 47 A I H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.910 103.5 41.4 -46.7 -57.0 17.8 -5.1 20.7 45 48 A P H > S+ 0 0 73 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.880 117.0 49.9 -62.9 -36.8 20.4 -7.7 19.8 46 49 A A H > S+ 0 0 29 -4,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.966 113.7 43.1 -66.4 -52.2 20.3 -6.8 16.1 47 50 A L H <>S+ 0 0 1 -4,-3.3 5,-2.1 1,-0.2 -1,-0.2 0.892 115.5 49.3 -61.1 -41.2 20.6 -3.0 16.6 48 51 A A H ><5S+ 0 0 6 -4,-2.5 3,-0.9 -5,-0.4 -1,-0.2 0.841 110.0 52.3 -67.7 -32.1 23.4 -3.5 19.2 49 52 A G H 3<5S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.783 101.8 59.1 -73.1 -28.2 25.2 -5.9 16.9 50 53 A A T 3<5S- 0 0 50 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.378 130.6 -92.4 -81.0 2.9 25.1 -3.3 14.0 51 54 A G T < 5S+ 0 0 28 -3,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.600 83.2 130.2 98.7 14.2 27.0 -0.9 16.3 52 55 A Y < - 0 0 24 -5,-2.1 2,-0.9 -28,-0.2 -1,-0.3 -0.716 59.8-125.8-104.3 151.1 24.2 1.1 17.9 53 56 A R E - c 0 26A 56 -28,-3.0 -26,-3.0 -2,-0.3 2,-0.4 -0.849 37.4-160.8 -91.9 107.1 23.6 1.9 21.6 54 57 A V E -Bc 17 27A 0 -37,-2.8 -37,-1.8 -2,-0.9 2,-0.4 -0.786 15.1-176.6 -97.9 134.3 20.0 0.6 22.0 55 58 A V E -Bc 16 28A 0 -28,-2.7 -26,-3.3 -2,-0.4 2,-0.6 -0.983 2.4-174.3-131.9 116.8 17.8 1.7 24.9 56 59 A A E -Bc 15 29A 0 -41,-2.2 -41,-2.2 -2,-0.4 -26,-0.1 -0.945 17.0-166.4-114.6 108.8 14.3 0.1 25.2 57 60 A I E -B 14 0A 2 -28,-1.4 2,-0.6 -2,-0.6 -26,-0.5 -0.428 26.8-125.5 -95.6 167.6 12.3 1.8 28.0 58 61 A D - 0 0 0 -45,-2.1 -45,-0.4 -2,-0.1 3,-0.1 -0.960 40.9-127.9-102.8 123.1 9.1 1.0 29.9 59 62 A Q > - 0 0 3 -2,-0.6 3,-2.3 1,-0.2 6,-0.3 -0.328 41.4 -73.0 -70.5 160.4 7.0 4.1 29.4 60 63 A R T 3 S+ 0 0 6 1,-0.3 7,-0.2 13,-0.1 -1,-0.2 -0.217 126.0 30.6 -52.3 143.0 5.6 5.8 32.5 61 64 A G T 3 S+ 0 0 1 5,-3.0 2,-0.3 1,-0.3 197,-0.3 0.290 108.6 95.9 88.5 -9.2 2.8 3.7 34.0 62 65 A Y S X S- 0 0 1 -3,-2.3 3,-2.7 4,-0.2 -1,-0.3 -0.794 87.4 -33.7-117.2 157.4 4.4 0.6 32.7 63 66 A G T 3 S- 0 0 16 -2,-0.3 -27,-0.0 1,-0.3 -3,-0.0 -0.096 123.5 -17.1 42.5-109.8 6.7 -2.2 34.0 64 67 A R T 3 S+ 0 0 122 -51,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.255 109.4 108.6-110.5 10.3 9.1 -0.7 36.5 65 68 A S S < S- 0 0 0 -3,-2.7 -53,-0.2 -6,-0.3 -4,-0.2 -0.472 84.7 -65.9 -86.2 160.2 8.7 2.9 35.5 66 69 A S - 0 0 14 -55,-2.8 -5,-3.0 -2,-0.1 2,-0.6 -0.060 46.6-146.3 -45.2 138.2 6.9 5.5 37.7 67 70 A K - 0 0 87 -7,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.929 17.5-174.3-115.3 108.8 3.2 5.0 38.1 68 71 A Y - 0 0 75 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.686 18.1-163.8-100.4 155.4 1.0 8.1 38.4 69 72 A R + 0 0 229 -2,-0.3 -1,-0.1 188,-0.0 5,-0.1 0.793 64.5 89.2-103.5 -40.6 -2.6 8.3 39.1 70 73 A V S > S- 0 0 73 1,-0.1 3,-0.9 2,-0.1 4,-0.2 -0.270 77.0-131.2 -59.4 143.6 -3.5 11.8 38.0 71 74 A Q G > S+ 0 0 58 1,-0.2 3,-2.2 2,-0.2 -1,-0.1 0.847 99.7 65.9 -65.8 -37.9 -4.5 12.1 34.4 72 75 A K G > S+ 0 0 140 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.703 87.8 70.2 -61.6 -17.7 -2.3 15.0 33.5 73 76 A A G < S+ 0 0 9 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.698 97.3 53.8 -71.9 -15.9 0.8 12.8 34.1 74 77 A Y G < S+ 0 0 1 -3,-2.2 -1,-0.2 -4,-0.2 2,-0.2 -0.030 77.4 125.8-109.3 30.6 -0.2 10.9 30.9 75 78 A R S X> S- 0 0 68 -3,-1.1 3,-2.1 1,-0.1 4,-1.6 -0.629 73.2-108.0 -87.8 148.0 -0.4 13.7 28.4 76 79 A I H 3> S+ 0 0 0 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.836 116.9 53.6 -43.1 -49.2 1.7 13.5 25.2 77 80 A K H 3> S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.741 106.0 54.0 -64.2 -21.1 4.2 16.2 26.2 78 81 A E H <> S+ 0 0 71 -3,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.903 110.3 46.8 -74.8 -42.2 4.9 14.3 29.4 79 82 A L H >X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 3,-0.5 0.922 113.2 49.1 -61.7 -46.6 5.7 11.2 27.5 80 83 A V H 3X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 3,-0.2 0.909 106.6 56.2 -60.4 -43.0 7.8 13.2 25.1 81 84 A G H 3X S+ 0 0 18 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.765 102.1 57.4 -61.8 -25.5 9.6 14.8 28.0 82 85 A D H S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.3 4,-0.4 0.912 112.5 53.6 -53.4 -44.3 18.8 11.1 25.8 88 91 A D H ><5S+ 0 0 91 -4,-2.3 3,-0.8 1,-0.2 -1,-0.3 0.849 104.0 55.5 -59.7 -35.8 19.9 13.4 28.6 89 92 A S H 3<5S+ 0 0 46 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.868 113.4 41.1 -65.1 -36.2 20.7 10.4 30.8 90 93 A Y T 3<5S- 0 0 41 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.369 111.0-123.1 -90.9 3.8 23.0 9.1 28.0 91 94 A G T < 5 + 0 0 69 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.923 57.1 157.0 54.5 45.3 24.4 12.6 27.3 92 95 A A < - 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0 0 5 0, 0.0 8,-0.5 0, 0.0 176,-0.1 -0.150 40.0 -76.5 -63.0 158.4 1.5 6.7 11.0 128 131 A F + 0 0 7 1,-0.1 6,-0.1 174,-0.1 181,-0.1 -0.347 50.3 174.8 -57.7 131.4 2.2 10.3 11.9 129 132 A A > - 0 0 2 1,-0.4 3,-2.3 4,-0.3 5,-0.2 0.126 26.9-141.3-128.3 19.2 -1.2 12.1 12.5 130 133 A G G > S- 0 0 6 1,-0.3 3,-2.0 2,-0.2 -1,-0.4 -0.240 79.5 -9.0 55.4-141.0 -0.2 15.5 13.7 131 134 A R G 3 S+ 0 0 31 10,-0.4 -1,-0.3 1,-0.3 142,-0.2 0.544 127.5 77.4 -64.4 -6.3 -2.4 16.9 16.5 132 135 A G G < S- 0 0 6 -3,-2.3 2,-3.2 9,-0.3 -1,-0.3 0.771 77.5-165.1 -74.0 -24.6 -4.6 13.9 15.7 133 136 A V S < S+ 0 0 3 -3,-2.0 2,-0.5 8,-0.1 -4,-0.3 -0.329 77.6 36.7 70.6 -59.1 -2.2 11.7 17.7 134 137 A I S S- 0 0 26 -2,-3.2 2,-0.2 -5,-0.2 8,-0.1 -0.965 88.2-137.9-125.6 114.6 -3.9 8.6 16.1 135 138 A G - 0 0 2 -8,-0.5 165,-0.1 -2,-0.5 6,-0.1 -0.461 21.9-169.5 -72.4 140.4 -5.0 8.9 12.5 136 139 A L - 0 0 13 3,-2.2 6,-0.1 -2,-0.2 163,-0.1 -0.930 39.6-100.8-129.8 153.8 -8.4 7.5 11.6 137 140 A P S S+ 0 0 10 0, 0.0 72,-0.1 0, 0.0 162,-0.1 0.736 125.8 37.5 -42.3 -28.1 -10.2 6.8 8.3 138 141 A G S S+ 0 0 30 1,-0.2 -3,-0.0 15,-0.1 5,-0.0 0.898 128.1 28.6 -92.2 -48.8 -12.2 9.9 8.9 139 142 A S + 0 0 12 1,-0.1 -3,-2.2 -5,-0.1 3,-0.4 -0.846 60.1 173.8-118.3 94.1 -9.6 12.2 10.5 140 143 A P S S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.820 87.4 19.9 -67.8 -31.6 -6.0 11.4 9.3 141 144 A F S S- 0 0 14 -6,-0.1 -10,-0.4 -9,-0.1 -9,-0.3 0.084 120.7 -86.4-128.4 26.0 -4.5 14.4 11.1 142 145 A G + 0 0 3 -3,-0.4 -3,-0.1 -10,-0.2 -7,-0.0 0.887 64.8 160.4 74.1 39.9 -7.0 15.4 13.8 143 146 A E + 0 0 97 2,-0.1 2,-0.2 -5,-0.0 -4,-0.1 0.924 68.6 29.7 -58.6 -44.9 -9.1 17.7 11.6 144 147 A R S S- 0 0 120 1,-0.1 -5,-0.0 2,-0.0 0, 0.0 -0.533 108.2 -70.2-108.8 177.7 -12.0 17.3 14.1 145 148 A R > - 0 0 109 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.449 40.7-136.7 -68.2 136.7 -12.2 16.7 17.8 146 149 A P H > S+ 0 0 13 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.975 94.6 44.0 -57.6 -64.0 -11.1 13.2 18.9 147 150 A S H >> S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 3,-1.3 0.946 118.3 40.2 -48.3 -68.1 -13.8 12.3 21.4 148 151 A D H 3> S+ 0 0 60 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.852 111.7 57.5 -53.9 -39.3 -16.9 13.6 19.6 149 152 A Y H 3< S+ 0 0 27 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.813 106.2 52.5 -62.8 -27.5 -15.6 12.3 16.3 150 153 A H H << S+ 0 0 11 -4,-1.4 -2,-0.2 -3,-1.3 -1,-0.2 0.976 106.3 52.5 -68.5 -57.5 -15.5 8.9 18.0 151 154 A L H < S+ 0 0 119 -4,-1.9 4,-0.2 3,-0.1 -2,-0.2 0.930 113.4 38.8 -40.6 -81.8 -19.1 9.1 19.2 152 155 A E S < S+ 0 0 135 -4,-1.4 0, 0.0 1,-0.2 0, 0.0 -0.408 118.5 31.5 -71.3 152.2 -20.8 9.8 15.9 153 156 A L S S+ 0 0 77 -2,-0.1 -1,-0.2 1,-0.1 -15,-0.1 0.998 108.7 67.2 60.0 72.0 -19.3 8.0 12.9 154 157 A A S S- 0 0 9 -3,-0.1 -2,-0.1 56,-0.0 5,-0.1 0.219 111.0 -14.3 168.4 -7.9 -18.2 4.8 14.7 155 158 A G - 0 0 8 -4,-0.2 5,-0.1 3,-0.1 64,-0.0 -0.329 47.9-131.7 151.7 125.2 -21.4 3.1 15.8 156 159 A P S S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 64,-0.0 0.981 111.2 -4.6 -52.4 -71.1 -25.2 3.8 16.1 157 160 A G S S+ 0 0 45 2,-0.1 64,-2.0 64,-0.0 2,-0.1 -0.067 121.2 106.3-114.8 28.5 -25.7 2.5 19.6 158 161 A R E -H 220 0B 90 62,-0.3 2,-0.4 -7,-0.1 62,-0.3 -0.352 63.2-125.5 -99.6-178.6 -22.1 1.2 19.8 159 162 A V E -H 219 0B 32 60,-3.9 60,-1.9 -5,-0.1 2,-0.4 -0.997 15.3-125.2-135.0 135.0 -19.0 2.4 21.6 160 163 A W E >> -H 218 0B 8 -2,-0.4 4,-1.4 58,-0.2 3,-0.9 -0.652 25.1-133.6 -75.9 127.8 -15.5 3.3 20.3 161 164 A Y H 3> S+ 0 0 21 56,-1.9 4,-3.4 -2,-0.4 3,-0.3 0.864 102.8 59.4 -51.7 -41.6 -13.0 1.1 22.2 162 165 A Q H 3> S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.869 105.8 47.9 -56.9 -38.5 -10.7 4.1 22.9 163 166 A D H <> S+ 0 0 37 -3,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.791 112.2 50.8 -72.3 -27.4 -13.5 5.9 24.7 164 167 A Y H >X S+ 0 0 27 -4,-1.4 3,-1.3 -3,-0.3 4,-0.9 0.949 109.3 49.6 -71.3 -51.4 -14.2 2.7 26.6 165 168 A F H >< S+ 0 0 3 -4,-3.4 3,-1.3 1,-0.3 -2,-0.2 0.926 106.4 57.8 -49.4 -50.8 -10.5 2.4 27.6 166 169 A A H 3< S+ 0 0 16 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.709 93.9 65.8 -56.3 -25.3 -10.6 6.0 28.7 167 170 A V H << S- 0 0 92 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.880 82.9-163.6 -67.0 -36.5 -13.3 5.3 31.2 168 171 A Q << + 0 0 40 -3,-1.3 -3,-0.1 -4,-0.9 -2,-0.1 0.843 63.0 81.6 56.6 38.9 -10.9 3.1 33.1 169 172 A D S > S+ 0 0 109 -5,-0.4 4,-1.8 3,-0.0 -1,-0.1 0.499 95.9 24.1-130.0 -72.2 -13.7 1.4 35.1 170 173 A G H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.865 120.0 58.7 -69.5 -37.6 -15.4 -1.4 33.2 171 174 A I H > S+ 0 0 0 -7,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.942 110.0 43.0 -56.8 -48.7 -12.4 -2.0 31.0 172 175 A I H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 111.5 56.2 -64.9 -39.8 -10.2 -2.7 34.0 173 176 A T H X S+ 0 0 75 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.896 108.0 46.3 -60.1 -42.5 -12.9 -4.8 35.6 174 177 A E H < S+ 0 0 2 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.774 113.7 51.6 -72.5 -23.9 -13.2 -7.2 32.6 175 178 A I H >< S+ 0 0 0 -4,-1.3 3,-1.5 -5,-0.2 7,-0.3 0.965 105.9 50.9 -74.5 -54.3 -9.4 -7.4 32.5 176 179 A E H >< S+ 0 0 100 -4,-2.8 3,-0.5 1,-0.3 -2,-0.2 0.725 93.2 73.1 -57.9 -26.3 -8.8 -8.4 36.1 177 180 A E T 3< S- 0 0 124 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.896 130.8 -7.9 -55.4 -38.0 -11.3 -11.2 36.1 178 181 A D T <> S+ 0 0 77 -3,-1.5 4,-1.4 -4,-0.5 -1,-0.3 -0.545 73.0 175.6-161.9 83.6 -8.7 -13.0 34.0 179 182 A L H <> S+ 0 0 13 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.894 80.0 52.6 -61.3 -46.7 -5.8 -10.8 33.0 180 183 A R H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 112.5 45.6 -59.5 -41.3 -3.7 -13.5 31.3 181 184 A G H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.780 109.2 56.1 -73.2 -26.1 -6.6 -14.6 29.1 182 185 A W H X S+ 0 0 0 -4,-1.4 4,-2.8 -7,-0.3 5,-0.3 0.920 106.7 49.7 -71.0 -42.0 -7.4 -11.0 28.3 183 186 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.912 112.6 47.4 -61.8 -42.7 -3.9 -10.4 27.0 184 187 A L H X S+ 0 0 25 -4,-1.7 4,-2.6 2,-0.2 5,-0.4 0.927 113.0 49.4 -64.8 -44.6 -4.1 -13.5 24.8 185 188 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 45,-0.5 0.976 113.6 43.3 -58.1 -58.7 -7.5 -12.5 23.5 186 189 A L H X S+ 0 0 12 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.836 117.0 49.7 -57.4 -35.4 -6.5 -8.9 22.6 187 190 A T H < S+ 0 0 10 -4,-2.0 4,-0.3 -5,-0.3 -2,-0.2 0.988 114.1 39.5 -69.1 -60.7 -3.2 -10.2 21.1 188 191 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.2 1,-0.2 6,-0.3 0.891 111.4 60.7 -57.5 -41.7 -4.5 -13.0 18.8 189 192 A T H 3< S+ 0 0 9 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.930 113.8 31.4 -53.5 -54.6 -7.6 -10.9 17.8 190 193 A V T 3< S+ 0 0 9 -4,-1.4 134,-2.3 -5,-0.2 104,-0.3 0.210 102.0 104.2 -92.3 17.2 -5.7 -8.0 16.2 191 194 A S S <> S- 0 0 0 -3,-1.2 4,-1.4 -4,-0.3 5,-0.1 -0.215 86.1-101.8 -84.3-177.8 -2.8 -10.2 15.1 192 195 A G H >> S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 3,-0.7 0.994 121.0 41.3 -69.3 -62.9 -2.2 -11.4 11.5 193 196 A E H 3> S+ 0 0 68 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.865 116.2 53.2 -51.8 -39.2 -3.4 -14.9 11.8 194 197 A G H 3> S+ 0 0 4 -6,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.832 112.9 42.5 -67.3 -33.6 -6.3 -13.6 13.9 195 198 A M H - 0 0 60 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.329 44.9-144.2 -58.6 125.1 -16.3 0.9 2.7 208 217 A P G >> S+ 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-0.9 0.864 95.2 66.1 -57.3 -42.5 -13.4 0.9 5.3 209 218 A I G 34 S+ 0 0 69 1,-0.3 4,-0.2 2,-0.2 -71,-0.1 0.711 111.2 36.7 -56.3 -21.6 -14.8 3.9 7.2 210 219 A D G <4 S+ 0 0 67 -3,-1.3 -1,-0.3 2,-0.1 -3,-0.1 0.230 97.4 80.6-114.9 12.2 -17.7 1.7 8.3 211 220 A V T <4 S+ 0 0 83 -3,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.709 81.8 67.7 -85.4 -24.5 -15.7 -1.5 8.6 212 221 A I S >< S+ 0 0 25 -4,-0.9 3,-1.1 2,-0.1 6,-0.2 0.959 93.5 66.2 -57.4 -51.0 -14.6 -0.2 12.0 213 222 A R T 3 S+ 0 0 65 1,-0.3 -58,-0.1 -4,-0.2 4,-0.1 -0.288 103.1 32.5 -63.4 160.2 -18.2 -0.7 13.1 214 223 A A T 3 S+ 0 0 91 1,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.735 108.5 115.0 60.4 17.2 -19.2 -4.3 13.1 215 224 A G S X S- 0 0 14 -3,-1.1 3,-1.2 1,-0.1 -1,-0.3 -0.681 84.0-105.6-114.3 169.9 -15.6 -4.7 14.1 216 225 A P T 3 S+ 0 0 51 0, 0.0 12,-0.2 0, 0.0 -2,-0.1 0.920 119.3 52.4 -59.5 -48.4 -13.7 -6.0 17.2 217 226 A L T 3 S+ 0 0 17 1,-0.1 -56,-1.9 -5,-0.1 2,-0.5 0.405 102.0 76.3 -70.9 4.7 -12.7 -2.5 18.4 218 227 A C E < +H 160 0B 9 -3,-1.2 2,-0.3 -6,-0.2 -58,-0.2 -0.950 64.7 176.1-122.9 113.0 -16.3 -1.5 18.1 219 228 A M E -H 159 0B 14 -60,-1.9 -60,-3.9 -2,-0.5 2,-0.4 -0.789 33.4-106.5-117.4 158.9 -18.7 -2.7 20.8 220 229 A A E > -H 158 0B 56 -62,-0.3 3,-2.4 -2,-0.3 -62,-0.3 -0.684 53.7 -89.5 -84.2 129.9 -22.4 -2.2 21.6 221 230 A E T 3 S+ 0 0 137 -64,-2.0 -1,-0.1 -2,-0.4 3,-0.1 0.020 114.1 22.0 -39.0 131.9 -23.0 0.1 24.6 222 231 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 -64,-0.1 0.276 103.6 106.6 90.5 -12.4 -23.1 -1.8 27.9 223 232 A A S < S- 0 0 32 -3,-2.4 2,-0.4 1,-0.0 -1,-0.3 -0.067 70.8-110.6 -85.1-169.3 -21.1 -4.7 26.5 224 233 A R > - 0 0 84 -3,-0.1 3,-2.5 1,-0.1 4,-0.4 -0.996 9.8-135.0-130.4 133.9 -17.5 -5.7 27.2 225 234 A L G > S+ 0 0 3 -2,-0.4 3,-1.3 1,-0.3 4,-0.2 0.793 107.9 64.6 -54.1 -30.6 -14.7 -5.4 24.7 226 235 A K G > S+ 0 0 42 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.731 86.0 75.2 -65.3 -22.5 -13.6 -8.9 25.8 227 236 A D G < S+ 0 0 98 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.759 96.9 45.1 -62.3 -27.0 -16.9 -10.1 24.4 228 237 A A G < S+ 0 0 47 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.369 86.8 118.7-101.0 4.6 -15.6 -9.9 20.8 229 238 A F < - 0 0 24 -3,-1.2 2,-0.4 -4,-0.2 -43,-0.1 -0.228 49.7-148.9 -69.6 161.9 -12.2 -11.5 21.3 230 239 A V - 0 0 75 -45,-0.5 -41,-0.3 -46,-0.1 -42,-0.1 -0.999 7.7-153.0-131.9 132.2 -11.0 -14.6 19.5 231 240 A Y - 0 0 102 -2,-0.4 2,-0.1 -43,-0.1 -46,-0.1 -0.836 18.6-117.0-109.0 145.9 -8.6 -17.1 21.1 232 241 A P - 0 0 23 0, 0.0 3,-0.1 0, 0.0 -44,-0.0 -0.430 11.7-131.4 -78.5 154.0 -6.3 -19.4 19.1 233 242 A E S S+ 0 0 204 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.846 98.8 11.9 -69.4 -33.2 -6.6 -23.2 19.2 234 243 A T S S- 0 0 108 -3,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.993 98.4 -87.5-144.5 147.5 -2.8 -23.1 19.9 235 244 A M - 0 0 46 -2,-0.3 6,-0.1 -3,-0.1 5,-0.1 -0.322 52.7-111.5 -56.1 119.6 -0.3 -20.4 20.8 236 245 A P > - 0 0 14 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.110 23.4-115.2 -51.8 152.9 1.0 -18.7 17.6 237 246 A A T 3 S+ 0 0 104 1,-0.2 3,-0.2 -3,-0.1 -2,-0.1 0.728 115.0 49.2 -63.8 -23.9 4.6 -19.4 16.8 238 247 A W T 3 S+ 0 0 30 1,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.655 115.4 43.1 -90.5 -18.1 5.5 -15.7 17.2 239 248 A F S < S+ 0 0 5 -3,-0.7 -1,-0.3 90,-0.0 -51,-0.0 -0.819 80.9 177.9-130.8 90.2 3.7 -15.3 20.5 240 249 A T > - 0 0 56 -2,-0.4 4,-2.1 -3,-0.2 5,-0.1 -0.128 45.3 -96.2 -84.4-178.2 4.5 -18.3 22.8 241 250 A E H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.833 123.4 56.1 -68.9 -34.2 3.5 -19.1 26.3 242 251 A A H > S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.842 109.0 47.6 -67.9 -31.2 6.8 -17.8 27.7 243 252 A D H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.924 112.5 47.8 -72.9 -45.6 6.0 -14.5 26.0 244 253 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.849 109.9 54.5 -62.6 -34.9 2.5 -14.4 27.4 245 254 A D H X S+ 0 0 86 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.821 107.6 50.1 -69.1 -32.3 3.9 -15.3 30.8 246 255 A F H X S+ 0 0 54 -4,-1.2 4,-1.9 -3,-0.2 -2,-0.2 0.981 114.5 42.0 -68.6 -56.5 6.3 -12.3 30.7 247 256 A Y H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.888 113.1 54.4 -56.6 -43.3 3.6 -9.8 29.7 248 257 A T H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 108.6 49.7 -57.9 -44.3 1.2 -11.3 32.2 249 258 A G H X S+ 0 0 20 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.848 109.3 50.8 -64.6 -35.7 3.7 -10.9 35.0 250 259 A E H X S+ 0 0 40 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.936 115.7 40.8 -68.1 -46.6 4.4 -7.3 34.1 251 260 A F H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.781 104.9 60.9 -77.0 -27.3 0.8 -6.2 34.1 252 261 A E H < S+ 0 0 133 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.771 115.8 39.9 -71.1 -14.5 -0.4 -8.2 37.1 253 262 A R H < S+ 0 0 220 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.818 126.8 31.1 -96.0 -36.2 2.1 -6.1 38.9 254 263 A S H < S- 0 0 26 -4,-2.0 4,-0.3 1,-0.1 3,-0.2 0.810 91.4-152.7 -92.8 -33.4 1.5 -2.7 37.2 255 264 A G < - 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