==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-DEC-10 3Q2G . COMPND 2 MOLECULE: A DISINTEGRIN AND METALLOPROTEINASE WITH THROMBOS . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GERHARDT,D.HARGREAVES . 564 8 16 6 10 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 6.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 2 0.4 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 . 45 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0 0 2 0 2 0 1 4 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 4 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 S 0 0 104 0, 0.0 45,-0.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 148.9 31.7 -31.9 13.7 2 5 A H E -a 46 0A 117 203,-0.1 2,-0.4 43,-0.1 45,-0.2 -0.826 360.0-161.1-104.1 116.9 31.9 -28.4 15.3 3 6 A R E -a 47 0A 24 43,-2.8 45,-3.1 -2,-0.6 2,-0.5 -0.799 1.7-161.6 -98.6 140.0 31.0 -25.4 13.2 4 7 A Y E -a 48 0A 41 200,-3.0 2,-1.0 -2,-0.4 45,-0.2 -0.989 7.6-152.5-123.0 120.4 32.0 -21.9 14.1 5 8 A V E -a 49 0A 0 43,-2.5 45,-2.2 -2,-0.5 2,-0.4 -0.800 12.9-153.8 -98.0 95.7 30.1 -18.9 12.6 6 9 A E E -a 50 0A 4 -2,-1.0 91,-1.9 43,-0.2 90,-1.3 -0.584 22.5-165.9 -74.1 123.1 32.6 -16.1 12.5 7 10 A T E -ab 51 97A 0 43,-2.3 45,-2.2 -2,-0.4 46,-1.2 -0.917 27.0-154.0-125.0 135.6 30.6 -13.0 12.6 8 11 A M E -ab 53 98A 0 89,-2.4 91,-2.5 -2,-0.4 2,-0.4 -0.946 19.8-156.1 -97.5 123.1 31.0 -9.2 12.0 9 12 A L E -ab 54 99A 0 44,-2.3 46,-2.1 -2,-0.6 2,-0.4 -0.830 11.7-171.6 -96.9 139.4 28.5 -7.2 14.0 10 13 A V E -ab 55 100A 0 89,-2.3 91,-2.6 -2,-0.4 2,-0.4 -0.994 9.6-168.3-134.6 132.6 27.7 -3.7 12.6 11 14 A A E -ab 56 101A 0 44,-2.0 46,-2.5 -2,-0.4 91,-0.2 -0.972 17.1-139.7-120.0 138.3 25.6 -0.9 14.2 12 15 A D >> - 0 0 13 89,-1.9 4,-1.8 -2,-0.4 3,-1.1 -0.256 37.5 -84.2 -89.8-179.8 24.5 2.2 12.2 13 16 A Q H 3> S+ 0 0 62 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.842 126.5 59.0 -58.3 -37.0 24.4 5.9 13.2 14 17 A S H 3> S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.855 108.4 47.1 -57.0 -35.1 21.0 5.5 14.9 15 18 A M H <> S+ 0 0 0 -3,-1.1 4,-3.1 86,-0.3 5,-0.3 0.927 110.4 49.6 -74.4 -46.4 22.5 2.9 17.1 16 19 A A H X S+ 0 0 12 -4,-1.8 4,-2.3 41,-0.3 -2,-0.2 0.945 116.0 43.5 -56.2 -51.1 25.6 4.9 18.1 17 20 A E H < S+ 0 0 135 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.879 118.1 43.8 -62.5 -42.5 23.6 7.9 18.9 18 21 A F H < S+ 0 0 37 -4,-1.8 289,-3.2 -5,-0.2 290,-0.2 0.930 124.2 33.2 -71.4 -45.4 20.9 6.0 20.8 19 22 A H H >< S- 0 0 4 -4,-3.1 3,-1.0 287,-0.2 289,-0.3 0.701 84.3-172.7 -87.0 -19.8 23.2 3.8 22.8 20 23 A G G >< - 0 0 11 -4,-2.3 3,-2.2 -5,-0.3 285,-0.2 -0.219 68.8 -14.4 55.2-151.1 26.3 6.0 23.3 21 24 A S G > S+ 0 0 2 283,-3.1 3,-0.6 1,-0.3 4,-0.3 0.787 133.2 65.4 -52.5 -32.9 29.3 4.3 24.9 22 25 A G G <> S+ 0 0 8 -3,-1.0 4,-1.7 283,-0.3 -1,-0.3 0.449 71.9 102.0 -72.1 2.8 27.3 1.3 25.9 23 26 A L H <> S+ 0 0 2 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.912 78.3 47.7 -54.8 -49.8 26.6 0.3 22.3 24 27 A K H <> S+ 0 0 49 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.874 110.1 51.1 -65.5 -38.6 29.2 -2.6 22.0 25 28 A H H > S+ 0 0 23 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.884 110.8 51.7 -61.2 -36.0 28.1 -4.3 25.3 26 29 A Y H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.915 107.7 50.0 -68.3 -45.1 24.6 -4.2 24.0 27 30 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.886 114.0 45.2 -59.6 -41.8 25.4 -5.7 20.7 28 31 A L H X S+ 0 0 20 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.692 108.3 57.4 -80.4 -21.6 27.3 -8.6 22.4 29 32 A T H X S+ 0 0 4 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.909 110.2 44.2 -67.4 -47.1 24.5 -9.1 25.0 30 33 A L H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.917 115.5 48.1 -62.0 -45.2 22.1 -9.7 22.1 31 34 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.881 104.5 58.3 -69.2 -37.6 24.6 -11.9 20.3 32 35 A S H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.876 106.4 50.7 -58.3 -35.3 25.4 -14.0 23.5 33 36 A V H X S+ 0 0 22 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.930 110.2 48.9 -66.7 -44.0 21.7 -14.8 23.7 34 37 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.912 110.5 51.4 -57.9 -44.2 21.7 -15.9 20.0 35 38 A A H X S+ 0 0 13 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.926 108.1 51.2 -63.0 -44.3 24.8 -18.1 20.6 36 39 A R H >< S+ 0 0 92 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.928 107.8 53.4 -55.1 -48.4 23.1 -19.8 23.6 37 40 A L H >< S+ 0 0 24 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.824 106.6 51.8 -55.1 -36.3 20.0 -20.5 21.4 38 41 A Y H 3< S+ 0 0 0 -4,-1.5 9,-0.5 -3,-0.3 -1,-0.3 0.550 103.2 59.6 -82.5 -9.9 22.2 -22.2 18.8 39 42 A K T << S+ 0 0 101 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.419 77.9 117.7 -90.1 -4.6 23.8 -24.4 21.4 40 43 A H S X S- 0 0 45 -3,-0.9 3,-1.8 -4,-0.3 5,-0.3 -0.489 73.3-128.2 -64.3 132.5 20.4 -25.8 22.3 41 44 A P G > S+ 0 0 103 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.587 100.5 76.1 -49.2 -20.5 20.4 -29.6 21.6 42 45 A S G 3 S+ 0 0 7 1,-0.2 147,-0.2 2,-0.1 -2,-0.1 0.635 81.3 66.1 -75.3 -14.8 17.2 -29.2 19.5 43 46 A I G < S- 0 0 0 -3,-1.8 -1,-0.2 2,-0.2 150,-0.1 0.721 95.8-145.5 -75.7 -22.6 19.2 -27.8 16.6 44 47 A R < + 0 0 200 -3,-0.9 2,-0.3 -4,-0.3 -2,-0.1 0.681 66.5 85.2 69.5 24.0 20.8 -31.3 16.4 45 48 A N S S- 0 0 37 -5,-0.3 2,-0.7 -7,-0.2 -1,-0.2 -0.935 82.6-113.5-148.4 159.3 24.1 -29.8 15.3 46 49 A S E +a 2 0A 33 -45,-0.6 -43,-2.8 -2,-0.3 2,-0.4 -0.908 46.3 164.5-104.4 107.6 27.2 -28.3 17.1 47 50 A V E -a 3 0A 0 -2,-0.7 2,-0.7 -9,-0.5 -43,-0.2 -0.977 20.7-166.8-136.3 118.5 27.3 -24.5 16.2 48 51 A S E -a 4 0A 27 -45,-3.1 -43,-2.5 -2,-0.4 2,-0.5 -0.896 9.2-155.0-112.1 108.9 29.3 -21.7 17.8 49 52 A L E +a 5 0A 6 -2,-0.7 2,-0.3 -45,-0.2 -43,-0.2 -0.687 25.6 176.0 -76.4 126.3 28.4 -18.1 17.0 50 53 A V E -a 6 0A 21 -45,-2.2 -43,-2.3 -2,-0.5 2,-0.5 -0.977 28.1-129.4-134.8 148.6 31.6 -16.0 17.6 51 54 A V E +aC 7 212A 0 161,-0.6 161,-2.8 -2,-0.3 -43,-0.2 -0.851 30.8 161.2 -99.5 129.6 32.4 -12.4 17.1 52 55 A V E + 0 0 9 -45,-2.2 2,-0.3 -2,-0.5 -44,-0.2 0.368 69.8 22.5-118.5 -7.7 35.7 -11.6 15.2 53 56 A K E -a 8 0A 30 -46,-1.2 -44,-2.3 159,-0.1 2,-0.4 -0.967 53.2-170.3-163.3 143.7 34.8 -8.0 14.3 54 57 A I E -a 9 0A 35 -2,-0.3 2,-0.4 -46,-0.2 -44,-0.2 -0.988 8.9-173.0-138.8 127.3 32.6 -5.0 15.3 55 58 A L E -a 10 0A 45 -46,-2.1 -44,-2.0 -2,-0.4 2,-0.5 -0.985 6.7-163.0-122.2 132.3 32.1 -1.8 13.3 56 59 A V E -a 11 0A 31 -2,-0.4 2,-1.1 -46,-0.2 3,-0.2 -0.963 13.7-145.1-113.0 126.8 30.2 1.2 14.5 57 60 A I + 0 0 12 -46,-2.5 -41,-0.3 -2,-0.5 -42,-0.1 -0.790 29.4 163.9 -93.0 94.0 29.2 3.7 11.9 58 61 A H S S+ 0 0 106 -2,-1.1 2,-0.6 1,-0.2 -1,-0.2 0.835 72.2 52.3 -74.3 -34.8 29.5 7.0 13.6 59 62 A D S > S- 0 0 67 -3,-0.2 3,-2.1 1,-0.1 -1,-0.2 -0.919 76.5-150.8-109.8 113.9 29.4 8.8 10.2 60 63 A E G > S+ 0 0 85 -2,-0.6 3,-2.2 1,-0.3 -1,-0.1 0.839 96.4 58.6 -49.9 -43.7 26.4 7.8 8.0 61 64 A Q G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.723 98.9 59.5 -64.4 -23.0 28.3 8.4 4.8 62 65 A K G < S+ 0 0 152 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.352 108.3 52.4 -84.8 6.9 30.9 5.9 5.9 63 66 A G S < S- 0 0 12 -3,-2.2 2,-0.1 -4,-0.2 -51,-0.0 -0.642 98.8 -71.3-126.7-174.1 28.3 3.1 6.0 64 67 A P - 0 0 11 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.374 58.3 -93.4 -75.0 161.5 25.6 1.6 3.9 65 68 A E - 0 0 106 7,-0.1 2,-0.5 11,-0.1 11,-0.1 -0.688 43.5-156.4 -74.3 120.3 22.4 3.5 3.1 66 69 A V + 0 0 19 -2,-0.6 2,-0.3 10,-0.1 4,-0.1 -0.895 21.3 163.3-102.3 126.6 19.9 2.5 5.7 67 70 A T - 0 0 45 -2,-0.5 40,-0.1 2,-0.4 6,-0.1 -0.873 55.1-104.9-132.7 170.1 16.1 2.9 4.9 68 71 A S S S+ 0 0 62 -2,-0.3 39,-2.9 38,-0.1 2,-1.0 0.723 98.8 96.3 -62.4 -23.5 12.7 1.8 6.0 69 72 A N B > -f 107 0B 78 1,-0.2 4,-1.7 37,-0.2 -2,-0.4 -0.621 62.0-170.2 -69.8 102.4 12.8 -0.4 2.9 70 73 A A H > S+ 0 0 0 37,-2.3 4,-2.1 -2,-1.0 -1,-0.2 0.877 81.5 48.7 -69.8 -39.1 14.0 -3.5 4.6 71 74 A A H > S+ 0 0 59 36,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.927 113.0 46.5 -63.7 -49.5 14.7 -5.4 1.4 72 75 A L H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.797 110.9 55.3 -64.3 -27.9 16.7 -2.5 -0.1 73 76 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.916 105.9 49.0 -75.0 -43.2 18.6 -2.2 3.3 74 77 A L H X S+ 0 0 12 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.951 114.9 46.4 -54.7 -50.3 19.7 -5.8 3.3 75 78 A R H X S+ 0 0 166 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.908 111.5 50.0 -63.2 -48.2 21.0 -5.5 -0.3 76 79 A N H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.907 116.0 43.8 -52.3 -44.4 22.7 -2.2 0.4 77 80 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.884 109.3 55.0 -74.2 -38.8 24.4 -3.8 3.5 78 81 A a H < S+ 0 0 9 -4,-3.1 4,-0.4 -5,-0.2 -1,-0.2 0.873 112.1 44.2 -64.0 -35.6 25.3 -7.0 1.8 79 82 A N H >< S+ 0 0 90 -4,-2.0 3,-1.2 -5,-0.2 4,-0.4 0.956 114.5 50.4 -67.1 -50.8 27.1 -5.0 -1.0 80 83 A W H >< S+ 0 0 27 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.837 100.6 60.8 -58.9 -43.0 28.8 -2.7 1.5 81 84 A Q G >< S+ 0 0 3 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.681 88.7 74.4 -64.6 -17.0 30.2 -5.4 3.9 82 85 A K G X S+ 0 0 96 -3,-1.2 3,-1.4 -4,-0.4 -1,-0.2 0.884 89.3 57.0 -61.3 -42.1 32.4 -7.0 1.1 83 86 A Q G < S+ 0 0 142 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.615 107.5 50.6 -66.4 -13.2 34.9 -4.1 1.2 84 87 A H G < S+ 0 0 46 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.345 88.3 92.3-108.2 4.4 35.5 -4.8 4.9 85 88 A N S < S- 0 0 21 -3,-1.4 9,-0.1 -4,-0.2 -1,-0.0 -0.900 78.5-126.1-101.8 113.9 36.1 -8.6 4.7 86 89 A P - 0 0 24 0, 0.0 9,-0.1 0, 0.0 -2,-0.1 -0.383 24.9-120.5 -53.7 131.4 39.8 -9.7 4.3 87 90 A P S S+ 0 0 139 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.701 91.0 58.8 -43.7 -35.0 40.0 -12.0 1.2 88 91 A S > - 0 0 58 1,-0.1 3,-0.8 0, 0.0 6,-0.1 -0.844 69.7-143.2-109.6 142.8 41.4 -15.0 3.2 89 92 A D T 3 S+ 0 0 42 -2,-0.4 5,-0.2 1,-0.2 -1,-0.1 0.634 100.8 73.2 -71.9 -16.5 39.9 -16.9 6.1 90 93 A R T 3 S+ 0 0 73 3,-0.1 -1,-0.2 116,-0.0 4,-0.0 0.841 79.0 95.9 -64.6 -31.0 43.4 -17.3 7.4 91 94 A D S X S- 0 0 72 -3,-0.8 3,-0.7 1,-0.1 118,-0.1 -0.279 81.6-132.3 -57.4 146.0 43.0 -13.6 8.3 92 95 A A T 3 S+ 0 0 42 1,-0.2 117,-0.4 116,-0.1 -1,-0.1 0.837 104.1 43.9 -76.8 -36.4 41.9 -13.0 11.9 93 96 A E T 3 S+ 0 0 104 115,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.217 83.0 124.3 -95.1 13.6 39.1 -10.6 11.1 94 97 A H < - 0 0 19 -3,-0.7 2,-0.4 -5,-0.2 -9,-0.1 -0.653 46.9-160.6 -72.9 127.8 37.8 -12.6 8.2 95 98 A Y - 0 0 3 -2,-0.5 -88,-0.2 -9,-0.1 3,-0.1 -0.861 28.3-153.4-118.2 141.9 34.1 -13.4 8.9 96 99 A D S S+ 0 0 9 -90,-1.3 2,-0.3 -2,-0.4 29,-0.2 0.621 85.8 17.8 -81.7 -19.2 31.7 -16.0 7.5 97 100 A T E -b 7 0A 1 -91,-1.9 -89,-2.4 27,-0.1 2,-0.4 -0.994 63.4-151.0-154.5 155.5 28.6 -13.8 8.2 98 101 A A E -bd 8 130A 0 31,-1.9 33,-1.6 -2,-0.3 2,-0.4 -0.974 8.0-165.6-132.8 138.5 27.7 -10.1 8.8 99 102 A I E -bd 9 131A 0 -91,-2.5 -89,-2.3 -2,-0.4 2,-0.4 -0.994 5.6-155.5-131.0 127.2 24.8 -8.6 10.8 100 103 A L E -bd 10 132A 0 31,-2.5 33,-3.2 -2,-0.4 2,-0.4 -0.874 5.4-162.3-104.6 137.6 23.6 -5.1 10.7 101 104 A F E +bd 11 133A 0 -91,-2.6 -89,-1.9 -2,-0.4 2,-0.3 -0.944 14.5 169.2-116.4 135.4 21.6 -3.5 13.6 102 105 A T E - d 0 134A 0 31,-1.6 33,-2.9 -2,-0.4 4,-0.1 -0.990 40.8-141.3-141.8 149.2 19.6 -0.2 13.3 103 106 A R S S+ 0 0 55 -2,-0.3 -1,-0.1 31,-0.2 3,-0.1 0.701 71.7 119.4 -77.3 -19.0 17.0 1.7 15.3 104 107 A Q S S- 0 0 77 1,-0.1 2,-0.8 -3,-0.0 -2,-0.2 -0.149 76.1-115.2 -45.7 130.4 15.3 2.3 12.0 105 108 A D - 0 0 86 29,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.618 35.2-142.6 -69.2 105.7 11.7 1.0 11.8 106 109 A L - 0 0 0 -2,-0.8 2,-0.4 8,-0.4 8,-0.2 -0.526 21.8-175.1 -77.8 138.6 12.0 -1.7 9.0 107 110 A b B -f 69 0B 17 -39,-2.9 -37,-2.3 -2,-0.2 -36,-0.4 -0.990 17.8-156.8-132.9 143.2 9.1 -2.2 6.6 108 111 A G - 0 0 31 3,-2.0 6,-0.0 -2,-0.4 -40,-0.0 -0.186 53.5 -82.3 -87.3-163.7 8.1 -4.5 3.8 109 112 A S S S+ 0 0 127 1,-0.1 3,-0.1 -2,-0.1 -40,-0.0 0.802 127.0 39.2 -69.0 -28.9 5.7 -3.4 1.1 110 113 A Q S S- 0 0 131 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.892 123.2 -8.7 -95.4 -48.8 2.7 -4.3 3.3 111 114 A T - 0 0 61 1,-0.0 -3,-2.0 0, 0.0 3,-0.3 -0.856 52.7-119.9-141.9 174.7 3.4 -3.2 6.9 112 115 A b S S+ 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339 384E 0 89,-2.8 91,-2.9 -2,-0.4 2,-0.4 -0.956 19.0-158.6 -98.0 121.6 18.0 16.9 41.9 295 12 B L E -kl 340 385E 0 44,-1.9 46,-2.6 -2,-0.6 2,-0.4 -0.837 10.3-170.7 -94.1 131.4 20.5 15.2 39.7 296 13 B V E -kl 341 386E 0 89,-2.7 91,-3.1 -2,-0.4 2,-0.4 -0.982 10.5-166.1-128.1 138.3 21.3 17.0 36.4 297 14 B A E -kl 342 387E 0 44,-2.6 46,-2.4 -2,-0.4 91,-0.2 -0.987 16.5-141.7-121.0 128.2 23.3 15.8 33.4 298 15 B D > - 0 0 15 89,-1.8 4,-1.8 -2,-0.4 3,-0.3 -0.063 36.9 -88.4 -75.4-176.7 24.5 18.3 30.7 299 16 B Q H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 124.4 62.7 -63.8 -36.7 24.6 17.7 27.0 300 17 B S H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 107.5 44.8 -55.3 -39.4 28.2 16.2 27.1 301 18 B M H > S+ 0 0 0 -3,-0.3 4,-2.8 86,-0.2 5,-0.5 0.887 109.8 53.8 -71.7 -44.7 26.7 13.4 29.3 302 19 B A H X S+ 0 0 12 -4,-1.8 4,-1.9 41,-0.3 -2,-0.2 0.912 112.5 45.1 -54.5 -43.5 23.7 12.8 27.1 303 20 B E H < S+ 0 0 133 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.915 118.0 41.3 -74.5 -41.0 25.9 12.4 24.1 304 21 B 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