==== 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 (O-GLYCOSYL) 31-JUL-95 1CBG . COMPND 2 MOLECULE: CYANOGENIC BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRIFOLIUM REPENS; . AUTHOR T.E.BARRETT,C.G.SURESH,S.P.TOLLEY,M.A.HUGHES . 490 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 29 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 4 1 0 3 1 3 0 0 0 1 2 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 F 0 0 125 0, 0.0 431,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.9 60.2 43.0 68.1 2 2 A K - 0 0 166 430,-0.1 433,-0.1 1,-0.0 434,-0.0 -0.940 360.0-115.6-152.1 125.7 63.1 40.8 67.0 3 3 A P - 0 0 92 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.243 25.9 -98.2 -56.0 179.0 62.5 37.2 65.9 4 4 A L > - 0 0 36 0, 0.0 2,-1.5 0, 0.0 3,-0.6 -0.902 27.9-120.7-106.4 130.7 63.5 33.9 67.3 5 5 A P T 3 S+ 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.543 81.1 98.7 -69.3 79.5 66.5 31.9 66.0 6 6 A I T 3 - 0 0 52 -2,-1.5 3,-0.4 8,-0.0 12,-0.0 0.269 65.7-142.3-140.3-110.4 64.5 28.8 65.0 7 7 A S < - 0 0 70 -3,-0.6 2,-2.8 1,-0.2 3,-0.0 0.929 9.4-141.0 134.1 48.6 63.5 28.3 61.6 8 8 A F + 0 0 76 1,-0.2 -1,-0.2 5,-0.1 6,-0.1 0.230 47.8 147.1 -32.5 55.5 60.1 26.8 61.5 9 9 A D + 0 0 146 -2,-2.8 2,-0.3 -3,-0.4 -1,-0.2 0.689 70.0 29.3 -76.3 -21.1 61.1 24.6 58.5 10 10 A D S > S- 0 0 93 1,-0.1 3,-1.2 -3,-0.0 4,-0.1 -0.945 82.8-120.1-136.6 157.2 58.8 21.8 59.7 11 11 A F G > S+ 0 0 115 -2,-0.3 3,-0.9 1,-0.3 -3,-0.1 0.810 112.9 62.8 -65.1 -34.0 55.5 22.0 61.7 12 12 A S G 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.0 0.361 77.6 88.7 -76.7 0.4 57.2 19.9 64.4 13 13 A D G < S+ 0 0 56 -3,-1.2 2,-0.8 1,-0.1 -1,-0.2 0.655 73.2 75.4 -74.6 -23.1 59.9 22.6 65.1 14 14 A L S < S+ 0 0 3 -3,-0.9 2,-0.3 -4,-0.1 -1,-0.1 -0.881 70.9 122.6 -96.9 106.6 57.6 24.2 67.7 15 15 A N S > S- 0 0 46 -2,-0.8 3,-2.0 473,-0.1 4,-0.3 -0.914 77.5 -77.4-150.2 178.2 57.8 22.0 70.7 16 16 A R G > S+ 0 0 38 471,-2.5 3,-0.9 1,-0.3 7,-0.1 0.654 116.6 72.0 -61.1 -16.9 58.7 22.0 74.5 17 17 A S G 3 S+ 0 0 93 1,-0.2 -1,-0.3 470,-0.2 471,-0.1 0.641 86.3 67.8 -74.8 -14.8 62.5 22.1 73.8 18 18 A C G < S+ 0 0 38 -3,-2.0 -1,-0.2 2,-0.1 2,-0.2 0.708 97.8 63.4 -72.7 -27.1 62.0 25.8 72.6 19 19 A F S < S- 0 0 12 -3,-0.9 412,-0.0 -4,-0.3 -4,-0.0 -0.603 107.4 -81.2 -95.9 158.6 61.2 26.7 76.3 20 20 A A > - 0 0 66 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.259 43.7-113.1 -59.1 150.5 63.6 26.4 79.2 21 21 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.733 117.0 51.2 -57.4 -28.0 63.8 22.8 80.6 22 22 A G T 3 S+ 0 0 67 2,-0.1 -2,-0.1 420,-0.0 2,-0.0 0.407 78.6 123.3 -88.1 -6.7 62.2 24.0 83.9 23 23 A F < - 0 0 12 -3,-2.0 2,-0.5 -7,-0.1 419,-0.2 -0.375 61.3-128.7 -58.9 138.2 59.2 25.7 82.2 24 24 A V E -a 442 0A 19 417,-2.0 419,-2.4 64,-0.0 2,-0.5 -0.840 22.2-170.2 -98.5 127.2 55.9 24.1 83.5 25 25 A F E +a 443 0A 0 -2,-0.5 63,-3.1 417,-0.2 64,-1.0 -0.964 26.6 133.8-116.4 125.5 53.2 22.8 81.1 26 26 A G E -ab 444 89A 0 417,-2.2 419,-1.9 -2,-0.5 2,-0.3 -0.754 44.2-110.9-148.7-167.1 49.8 21.9 82.6 27 27 A T E -ab 445 90A 0 62,-0.8 64,-2.8 417,-0.3 2,-0.3 -0.935 25.9-139.6-134.4 155.0 46.0 22.2 82.2 28 28 A A E + b 0 91A 0 417,-2.2 419,-0.5 -2,-0.3 420,-0.5 -0.848 23.4 154.8-123.6 156.9 43.3 24.0 84.3 29 29 A S - 0 0 2 62,-1.3 2,-0.3 -2,-0.3 3,-0.1 -0.879 27.1-126.0-158.6-179.7 39.8 23.4 85.7 30 30 A S > - 0 0 1 -2,-0.2 4,-1.5 62,-0.2 5,-0.3 -0.926 25.2-116.2-139.0 159.0 37.4 24.4 88.4 31 31 A A H > S+ 0 0 5 -2,-0.3 4,-2.0 2,-0.2 5,-0.4 0.896 112.1 47.7 -63.5 -48.9 35.3 22.5 91.0 32 32 A F H 4 S+ 0 0 15 105,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.848 114.9 46.7 -64.4 -37.9 31.8 23.5 89.7 33 33 A Q H 4 S+ 0 0 0 1,-0.1 419,-0.8 35,-0.1 36,-0.3 0.762 128.2 19.2 -76.0 -28.8 32.7 22.7 86.1 34 34 A Y H < S+ 0 0 1 -4,-1.5 37,-2.2 34,-0.2 35,-0.5 0.795 105.6 67.7-112.8 -40.4 34.3 19.3 86.6 35 35 A E < - 0 0 10 -4,-2.0 37,-2.2 -5,-0.3 38,-0.3 0.842 58.2-174.2 -59.2 -50.3 33.5 17.6 89.9 36 36 A G + 0 0 5 -5,-0.4 31,-0.3 29,-0.3 -1,-0.1 -0.579 50.2 101.7 80.2-156.5 29.8 16.5 89.9 37 37 A A + 0 0 8 29,-0.2 3,-0.5 -2,-0.2 6,-0.2 0.848 43.9 166.1 42.8 50.6 28.6 15.0 93.3 38 38 A A S S+ 0 0 6 28,-1.3 -1,-0.1 1,-0.2 8,-0.1 0.722 76.8 24.7 -66.4 -29.4 26.9 18.4 94.2 39 39 A F S S+ 0 0 145 27,-0.2 3,-0.4 6,-0.1 -1,-0.2 0.210 104.4 112.8-117.6 1.6 24.9 16.9 97.1 40 40 A E S > S+ 0 0 71 -3,-0.5 3,-1.2 1,-0.2 4,-0.0 -0.501 71.1 5.2 -92.4 152.4 27.1 13.9 97.9 41 41 A D T 3 S- 0 0 72 1,-0.3 -1,-0.2 -2,-0.2 71,-0.1 0.859 129.8 -49.9 50.9 47.6 29.4 12.9 100.8 42 42 A G T 3 S+ 0 0 47 -3,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.541 89.7 153.1 74.9 13.2 28.3 15.9 103.0 43 43 A K < - 0 0 25 -3,-1.2 55,-0.2 -6,-0.2 -1,-0.2 -0.520 33.3-142.5 -75.5 144.3 28.8 18.8 100.6 44 44 A G - 0 0 7 53,-2.5 2,-0.1 -2,-0.2 58,-0.1 -0.571 30.5 -86.0 -99.0 160.2 26.7 21.9 101.1 45 45 A P - 0 0 67 0, 0.0 97,-3.0 0, 0.0 98,-0.4 -0.428 33.9-152.5 -74.8 143.4 25.2 24.1 98.3 46 46 A S B > -I 141 0B 4 95,-0.3 4,-1.7 -2,-0.1 3,-0.3 -0.581 35.1-102.5-100.8 172.1 27.0 26.9 96.5 47 47 A I H > S+ 0 0 9 93,-2.0 4,-2.2 1,-0.2 92,-0.1 0.727 123.3 56.3 -68.1 -25.0 25.4 29.9 94.9 48 48 A W H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.793 104.1 53.6 -74.7 -34.4 25.9 28.3 91.4 49 49 A D H > S+ 0 0 10 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.951 114.6 41.4 -63.0 -52.8 23.9 25.2 92.7 50 50 A T H X S+ 0 0 47 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.884 112.0 54.4 -60.0 -48.5 21.1 27.5 93.7 51 51 A F H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 7,-0.2 0.886 108.2 47.6 -56.8 -48.5 21.2 29.8 90.6 52 52 A T H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 117.9 39.3 -67.2 -37.5 20.9 27.0 88.0 53 53 A H H < S+ 0 0 76 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.807 118.5 46.4 -84.7 -30.1 17.9 25.1 89.7 54 54 A K H < S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.877 127.6 25.9 -74.6 -42.5 16.0 28.2 90.8 55 55 A Y >< + 0 0 58 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 -0.656 62.3 163.6-126.4 78.8 16.4 30.0 87.4 56 56 A P G > S+ 0 0 39 0, 0.0 3,-1.2 0, 0.0 6,-0.3 0.828 76.5 65.9 -66.6 -25.4 16.8 27.4 84.6 57 57 A E G 3 S+ 0 0 105 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.533 89.5 65.6 -73.1 -8.2 15.9 30.1 82.0 58 58 A K G < S+ 0 0 39 -3,-1.5 2,-0.5 -7,-0.2 -1,-0.2 0.457 91.9 74.7 -91.5 -7.7 19.2 32.0 83.0 59 59 A I S X S- 0 0 3 -3,-1.2 3,-1.3 -4,-0.2 397,-0.2 -0.933 86.6-131.8-107.1 126.1 21.2 29.1 81.5 60 60 A K T 3 S+ 0 0 118 395,-3.0 396,-0.1 -2,-0.5 397,-0.1 0.835 107.1 23.1 -47.8 -46.9 21.2 28.9 77.7 61 61 A D T 3 S- 0 0 54 394,-0.1 -1,-0.3 -3,-0.0 -4,-0.1 0.237 109.9-115.0-105.9 9.7 20.3 25.2 77.5 62 62 A R < + 0 0 169 -3,-1.3 2,-0.1 -6,-0.3 -5,-0.1 0.901 68.8 138.9 56.8 48.2 18.6 25.1 81.0 63 63 A T - 0 0 39 -7,-0.1 2,-0.3 392,-0.1 -1,-0.1 -0.441 35.4-150.9-110.9-179.5 21.2 22.7 82.4 64 64 A N - 0 0 55 -2,-0.1 4,-0.4 4,-0.0 3,-0.3 -0.909 26.4-113.1-150.1 175.7 23.1 22.3 85.7 65 65 A G S S+ 0 0 4 -2,-0.3 -29,-0.3 1,-0.2 -27,-0.1 0.054 72.2 114.6-103.5 24.6 26.3 21.1 87.4 66 66 A D S S+ 0 0 46 1,-0.1 -28,-1.3 -29,-0.1 -27,-0.2 0.867 101.7 5.2 -60.0 -45.7 24.9 18.2 89.5 67 67 A V S > S+ 0 0 83 -3,-0.3 3,-2.3 -31,-0.3 4,-0.2 0.721 83.3 162.7-109.3 -38.5 26.9 15.6 87.5 68 68 A A T 3 S- 0 0 6 -4,-0.4 -34,-0.2 1,-0.3 -33,-0.1 -0.271 82.1 -32.9 50.3-129.5 29.1 17.7 85.2 69 69 A I T 3 S- 0 0 0 -35,-0.5 -1,-0.3 -36,-0.3 -34,-0.1 0.240 82.8-122.9-102.6 10.9 31.9 15.4 84.0 70 70 A D X> + 0 0 31 -3,-2.3 4,-1.6 1,-0.1 3,-0.8 0.871 51.2 159.4 48.8 52.1 31.9 13.4 87.3 71 71 A E H 3> + 0 0 4 -37,-2.2 4,-1.6 1,-0.2 -36,-0.2 0.819 66.1 74.5 -69.2 -25.4 35.7 14.0 88.2 72 72 A Y H 34 S+ 0 0 20 -37,-2.2 -1,-0.2 1,-0.2 -36,-0.1 0.884 113.9 21.1 -49.7 -48.3 34.7 13.2 91.8 73 73 A H H <4 S+ 0 0 97 -3,-0.8 -1,-0.2 -38,-0.3 -2,-0.2 0.545 129.2 50.2 -97.7 -16.1 34.4 9.5 90.9 74 74 A R H >X + 0 0 58 -4,-1.6 4,-1.9 -39,-0.2 3,-0.6 0.305 68.1 114.8-109.1 11.8 36.6 9.6 87.7 75 75 A Y H 3X S+ 0 0 33 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.747 73.3 57.4 -55.2 -32.6 39.7 11.3 89.0 76 76 A K H 3> S+ 0 0 128 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 109.6 44.7 -66.7 -43.2 42.0 8.3 88.5 77 77 A E H <> S+ 0 0 82 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.909 112.8 52.7 -65.3 -42.4 41.1 8.0 84.7 78 78 A D H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.889 111.2 44.9 -61.2 -43.1 41.5 11.8 84.3 79 79 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.829 107.8 60.4 -69.8 -34.9 45.1 11.9 85.8 80 80 A G H X S+ 0 0 35 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.919 104.6 48.4 -57.5 -46.7 45.9 8.8 83.7 81 81 A I H X S+ 0 0 31 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.943 110.6 51.3 -60.2 -48.9 45.2 10.8 80.5 82 82 A M H <>S+ 0 0 0 -4,-1.6 5,-1.7 2,-0.2 4,-0.4 0.912 109.8 49.4 -55.3 -47.9 47.4 13.7 81.8 83 83 A K H ><5S+ 0 0 133 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.940 110.1 50.4 -61.5 -45.3 50.3 11.3 82.5 84 84 A D H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 107.4 56.1 -60.3 -35.7 50.0 9.8 79.0 85 85 A M T 3<5S- 0 0 8 -4,-2.0 -1,-0.3 -5,-0.1 403,-0.2 0.419 111.8-119.9 -76.4 -4.0 50.1 13.4 77.6 86 86 A N T < 5 + 0 0 61 -3,-1.4 -3,-0.2 -4,-0.4 -61,-0.1 0.783 52.4 166.9 69.2 27.7 53.5 14.2 79.3 87 87 A L < - 0 0 10 -5,-1.7 -61,-0.2 1,-0.1 -1,-0.2 -0.358 33.0-153.0 -73.5 156.0 52.0 17.1 81.4 88 88 A D + 0 0 48 -63,-3.1 42,-1.5 1,-0.2 2,-0.3 0.640 68.7 5.0 -99.5 -26.0 54.0 18.7 84.3 89 89 A A E -bc 26 130A 1 -64,-1.0 -62,-0.8 40,-0.3 2,-0.4 -0.963 52.4-137.6-157.5 168.4 51.1 20.0 86.4 90 90 A Y E -bc 27 131A 0 40,-1.7 42,-2.2 -2,-0.3 2,-0.5 -0.990 11.1-156.0-137.8 127.2 47.3 20.3 87.0 91 91 A R E +bc 28 132A 0 -64,-2.8 -62,-1.3 -2,-0.4 2,-0.3 -0.932 31.7 152.0-105.7 119.2 45.5 23.5 88.2 92 92 A F E - c 0 133A 3 40,-1.5 42,-2.2 -2,-0.5 2,-0.3 -0.868 34.2-122.5-138.5 169.7 42.2 22.7 90.0 93 93 A S E - c 0 134A 3 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.855 12.1-128.4-121.9 158.5 40.1 24.4 92.6 94 94 A I - 0 0 0 40,-2.1 2,-0.7 -2,-0.3 43,-0.3 -0.868 26.9-124.6-101.0 132.2 38.8 23.4 96.1 95 95 A S >> - 0 0 4 -2,-0.4 3,-1.3 1,-0.2 4,-1.2 -0.717 13.1-152.6 -81.4 115.2 35.1 23.8 96.7 96 96 A W H >> S+ 0 0 1 -2,-0.7 4,-2.2 43,-0.3 3,-0.9 0.942 95.9 46.9 -50.9 -58.6 34.5 26.0 99.8 97 97 A P H 34 S+ 0 0 0 0, 0.0 -53,-2.5 0, 0.0 -1,-0.3 0.535 103.6 63.5 -65.8 -8.3 31.1 24.4 100.6 98 98 A R H <4 S+ 0 0 2 -3,-1.3 15,-0.2 -55,-0.2 -2,-0.2 0.830 115.3 30.2 -81.3 -37.7 32.5 20.8 100.2 99 99 A V H << S+ 0 0 0 -4,-1.2 11,-3.3 -3,-0.9 15,-0.2 0.773 136.5 27.7 -89.6 -32.3 35.0 21.2 103.1 100 100 A L S >< S- 0 0 0 -4,-2.2 3,-2.3 -5,-0.2 -1,-0.2 -0.804 71.0-171.1-133.3 87.6 32.8 23.7 105.2 101 101 A P T 3 S+ 0 0 31 0, 0.0 42,-0.3 0, 0.0 41,-0.1 0.679 88.3 38.8 -55.5 -26.8 29.1 23.0 104.3 102 102 A K T 3 S- 0 0 132 6,-0.4 2,-2.0 2,-0.3 4,-0.1 0.141 106.7-125.2-107.9 12.2 27.9 26.1 106.2 103 103 A G S < S+ 0 0 1 -3,-2.3 2,-0.1 5,-0.1 60,-0.0 -0.325 82.7 88.6 78.4 -60.4 30.8 28.3 105.1 104 104 A K S > S- 0 0 54 -2,-2.0 3,-1.1 1,-0.1 -2,-0.3 -0.323 82.8-124.6 -66.2 152.8 31.8 29.4 108.7 105 105 A L G > S+ 0 0 81 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.783 111.8 59.2 -71.0 -26.3 34.3 27.3 110.7 106 106 A S G 3 S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.405 92.2 68.6 -83.9 2.6 31.7 27.0 113.5 107 107 A G G < S- 0 0 44 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.568 116.2 -95.8 -93.0 -17.4 29.2 25.3 111.1 108 108 A G < - 0 0 33 -3,-0.8 2,-0.5 -4,-0.3 -6,-0.4 -0.054 26.0 -99.0 108.6 150.9 31.5 22.2 111.0 109 109 A V - 0 0 59 -9,-0.2 2,-0.9 -8,-0.1 -9,-0.2 -0.890 30.6-132.6-100.4 127.9 34.3 20.7 108.8 110 110 A N > - 0 0 24 -11,-3.3 4,-1.8 -2,-0.5 3,-0.3 -0.774 17.1-167.2 -87.1 108.2 33.3 18.0 106.4 111 111 A R H > S+ 0 0 222 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.869 87.2 51.3 -65.3 -44.1 35.8 15.2 106.9 112 112 A E H > S+ 0 0 92 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.752 106.7 56.7 -55.2 -34.9 34.8 13.2 103.7 113 113 A G H > S+ 0 0 0 -3,-0.3 4,-1.4 -15,-0.2 3,-0.3 0.929 107.2 47.7 -70.0 -48.8 35.3 16.5 101.8 114 114 A I H X S+ 0 0 13 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.856 108.2 56.6 -58.3 -43.4 38.9 16.7 103.2 115 115 A N H X S+ 0 0 69 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.829 101.3 56.1 -58.6 -41.7 39.5 13.0 102.1 116 116 A Y H X S+ 0 0 9 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.951 109.6 44.8 -58.5 -52.9 38.5 13.7 98.4 117 117 A Y H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.864 110.9 54.4 -63.6 -35.7 41.2 16.5 98.1 118 118 A N H X S+ 0 0 31 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.936 110.9 46.2 -61.4 -46.5 43.8 14.3 99.8 119 119 A N H X S+ 0 0 61 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.890 115.0 46.6 -60.2 -46.0 43.0 11.5 97.3 120 120 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.918 113.2 47.8 -62.2 -49.7 43.2 13.9 94.3 121 121 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.914 113.4 47.8 -58.9 -47.6 46.5 15.6 95.5 122 122 A N H X S+ 0 0 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142 142 A Q H 3> S+ 0 0 32 -97,-3.0 4,-2.7 1,-0.2 5,-0.2 0.826 103.3 65.7 -61.6 -33.5 24.9 29.5 100.0 143 143 A A H 3> S+ 0 0 28 -98,-0.4 4,-2.2 -42,-0.3 -1,-0.2 0.907 104.4 43.3 -55.3 -46.6 24.9 29.9 103.9 144 144 A L H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 6,-1.6 0.761 112.1 53.4 -73.2 -27.5 27.1 33.0 103.7 145 145 A E H X S+ 0 0 29 -4,-1.1 4,-1.8 4,-0.3 -2,-0.2 0.914 113.3 44.2 -70.3 -44.8 25.1 34.4 100.7 146 146 A D H < S+ 0 0 124 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.896 117.3 46.7 -63.9 -44.6 21.9 34.0 102.8 147 147 A E H < S- 0 0 119 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.929 138.2 -9.0 -69.5 -53.0 23.5 35.4 106.0 148 148 A Y H < S- 0 0 23 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.106 98.5 -90.6-140.6 28.5 25.2 38.6 104.7 149 149 A R >< - 0 0 151 -4,-1.8 3,-1.9 -5,-0.1 -4,-0.3 0.790 56.5-115.4 67.2 31.7 25.1 38.7 100.8 150 150 A G G > S+ 0 0 0 -6,-1.6 3,-1.7 1,-0.3 6,-0.4 -0.154 94.9 10.8 46.9-113.5 28.5 36.8 100.3 151 151 A F G 3 S+ 0 0 3 1,-0.3 74,-0.3 4,-0.1 -1,-0.3 0.353 122.1 67.2 -79.7 11.6 31.1 39.1 98.7 152 152 A L G < S+ 0 0 23 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.3 0.255 94.0 73.0-104.2 1.3 28.9 42.2 99.1 153 153 A G S X S- 0 0 9 -3,-1.7 3,-1.5 -4,-0.1 4,-0.2 -0.974 77.8-137.4-122.3 139.3 29.4 41.9 103.0 154 154 A R T > S+ 0 0 119 -2,-0.4 3,-1.4 1,-0.3 4,-0.5 0.747 97.1 78.9 -65.5 -19.6 32.6 42.7 104.9 155 155 A N T 3> S+ 0 0 85 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.690 76.0 76.2 -59.4 -25.5 32.0 39.5 107.0 156 156 A I H <> S+ 0 0 0 -3,-1.5 4,-2.5 -6,-0.4 -1,-0.3 0.768 83.7 63.8 -60.8 -35.0 33.4 37.4 104.1 157 157 A V H <> S+ 0 0 16 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.927 105.1 42.4 -60.5 -52.6 37.0 38.4 104.9 158 158 A D H > S+ 0 0 91 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.878 116.9 47.5 -64.6 -40.1 37.1 36.7 108.3 159 159 A D H X S+ 0 0 9 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.883 111.8 50.8 -68.5 -37.3 35.3 33.6 107.0 160 160 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.866 107.1 53.8 -69.5 -37.0 37.7 33.4 104.0 161 161 A R H X S+ 0 0 71 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.906 109.3 49.2 -61.7 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95.9-112.6 -11.2 47.0 20.1 102.4 172 172 A G T 3<> - 0 0 21 69,-1.7 4,-1.5 -2,-0.6 3,-0.6 0.878 54.9-175.7 39.6 73.2 39.2 36.2 88.2 184 184 A P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.734 84.0 62.9 -61.6 -23.5 37.7 38.8 90.6 185 185 A W H 3> S+ 0 0 51 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.899 101.9 50.8 -64.9 -46.8 36.9 41.0 87.4 186 186 A G H <>>S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 5,-0.6 0.910 112.7 44.7 -58.3 -48.6 34.6 38.2 86.1 187 187 A V H X>S+ 0 0 13 -4,-1.5 4,-1.9 3,-0.2 5,-0.7 0.965 116.0 47.1 -60.8 -54.5 32.7 38.0 89.4 188 188 A S H X5S+ 0 0 0 -4,-2.1 4,-0.9 3,-0.2 5,-0.3 0.930 122.2 33.5 -55.1 -53.5 32.4 41.8 89.8 189 189 A M H X>S+ 0 0 13 -4,-2.9 5,-1.8 3,-0.2 4,-1.6 0.935 126.4 35.7 -72.9 -53.3 31.2 42.5 86.2 190 190 A N H <5S+ 0 0 35 -4,-2.3 7,-1.7 -5,-0.3 6,-1.0 0.845 124.5 39.1 -76.4 -34.4 29.1 39.4 85.4 191 191 A A H < S- 0 0 15 -7,-1.7 3,-2.9 4,-0.2 4,-0.3 -0.753 102.4 -43.6-109.3 157.6 26.5 34.9 86.9 198 198 A A T 3 S+ 0 0 5 1,-0.4 -150,-0.1 -2,-0.3 -1,-0.1 -0.305 128.6 22.5 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42.3 81.5 209 209 A N + 0 0 134 -5,-0.2 2,-0.2 1,-0.1 -5,-0.1 0.954 56.3 176.3 55.1 60.0 16.2 40.5 83.7 210 210 A a - 0 0 34 -6,-0.1 -9,-0.2 -7,-0.1 -1,-0.1 -0.519 40.9-123.7 -93.1 164.9 18.3 40.8 86.9 211 211 A T S S- 0 0 49 -11,-2.5 2,-0.2 1,-0.3 -10,-0.2 0.034 76.1 -61.4 -91.1 22.1 17.4 39.7 90.5 212 212 A G S S+ 0 0 36 -10,-0.3 -10,-1.8 -12,-0.2 -1,-0.3 -0.560 81.2 111.7 117.9 177.7 17.9 43.3 92.0 213 213 A G - 0 0 30 -12,-0.3 -9,-0.4 -2,-0.2 2,-0.2 -0.681 54.6 -98.5 125.5-173.1 21.1 45.4 92.2 214 214 A D >> - 0 0 57 -22,-0.4 4,-1.8 -2,-0.2 3,-1.1 -0.788 13.7-163.8-160.0 106.0 23.0 48.5 91.1 215 215 A S T 34 S+ 0 0 0 1,-0.2 129,-2.3 -2,-0.2 130,-0.2 0.619 92.0 56.4 -71.3 -13.0 25.7 48.3 88.3 216 216 A G T 34 S+ 0 0 0 126,-0.4 -1,-0.2 127,-0.3 127,-0.2 0.545 125.2 16.9 -92.3 -13.1 27.2 51.7 89.3 217 217 A R T X> S+ 0 0 137 -3,-1.1 4,-1.2 -25,-0.2 3,-0.8 0.678 113.5 59.7-126.1 -53.2 27.8 50.6 92.9 218 218 A E H 3X S+ 0 0 30 -4,-1.8 4,-2.7 1,-0.2 3,-0.4 0.852 98.5 58.5 -54.9 -44.4 27.8 46.8 93.6 219 219 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.858 108.2 48.2 -54.0 -40.3 30.6 45.8 91.2 220 220 A Y H <> S+ 0 0 1 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.840 112.0 49.3 -67.7 -37.1 33.0 48.1 93.1 221 221 A L H X S+ 0 0 63 -4,-1.2 4,-2.2 -3,-0.4 5,-0.2 0.917 110.7 49.1 -67.8 -49.5 31.9 46.7 96.5 222 222 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.884 113.0 47.7 -60.1 -43.1 32.3 43.0 95.3 223 223 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.844 109.8 52.8 -65.6 -38.8 35.9 43.8 94.0 224 224 A H H X S+ 0 0 4 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.929 112.3 43.5 -63.1 -50.4 37.0 45.7 97.2 225 225 A Y H X S+ 0 0 32 -4,-2.2 4,-2.5 -74,-0.3 -2,-0.2 0.829 110.0 56.9 -69.6 -31.5 36.0 42.8 99.5 226 226 A Q H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.930 108.4 47.6 -61.9 -46.7 37.6 40.2 97.1 227 227 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.876 111.8 49.5 -63.2 -40.3 40.9 42.1 97.5 228 228 A L H X S+ 0 0 11 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.889 110.1 51.5 -66.6 -41.2 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