==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDE HYDROLASE 03-MAY-00 1E1E . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_COMMON: MAIZE; . AUTHOR M.CZJZEK,M.CICEK,D.R.BEVAN,B.HENRISSAT,A.ESEN . 985 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.3 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 2 3 3 3 0 2 0 1 6 0 2 1 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 7 5 4 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 PARALLEL BRIDGES PER LADDER . 6 2 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 . 4 1 0 0 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 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 12 A M 0 0 188 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.7 13.4 40.1 78.6 2 13 A L - 0 0 101 422,-0.0 419,-0.0 5,-0.0 5,-0.0 -0.627 360.0-106.4-164.5-138.6 16.2 39.8 81.2 3 14 A S - 0 0 28 -2,-0.2 4,-0.4 1,-0.2 3,-0.1 -0.698 4.3-132.9 178.1 132.6 16.6 37.4 84.2 4 15 A P S > S+ 0 0 117 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.912 108.2 27.6 -41.7 -79.1 16.6 36.8 88.0 5 16 A S T 3 S+ 0 0 106 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.658 117.0 64.2 -64.7 -18.5 19.8 34.9 88.7 6 17 A E T 3 S+ 0 0 122 -3,-0.1 -1,-0.3 2,-0.1 3,-0.0 0.402 73.8 116.1 -88.1 2.2 21.5 36.5 85.7 7 18 A I S < S- 0 0 33 -3,-1.6 418,-0.1 -4,-0.4 -5,-0.0 -0.619 76.4-110.2 -77.6 118.7 21.3 40.1 87.1 8 19 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.192 34.4-157.9 -48.5 130.0 24.7 41.6 87.7 9 20 A Q > - 0 0 89 1,-0.1 3,-1.4 419,-0.0 4,-0.3 -0.891 24.4-122.9-111.7 144.4 25.4 41.9 91.5 10 21 A R G > S+ 0 0 47 -2,-0.4 3,-1.8 477,-0.3 2,-0.4 0.880 111.5 63.3 -54.0 -40.0 28.0 44.3 92.9 11 22 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.051 83.1 81.4 -74.9 28.8 29.8 41.5 94.6 12 23 A W G < S+ 0 0 66 -3,-1.4 -1,-0.3 -2,-0.4 -2,-0.2 0.609 92.7 50.3-101.5 -22.2 30.5 40.1 91.1 13 24 A F S < S- 0 0 10 -3,-1.8 418,-0.0 -4,-0.3 -1,-0.0 -0.802 99.7 -89.5-115.8 157.5 33.4 42.4 90.7 14 25 A P > - 0 0 65 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.196 40.2-110.8 -60.7 154.9 36.4 43.2 92.9 15 26 A S T 3 S+ 0 0 107 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.911 116.5 53.9 -55.7 -45.5 36.0 45.9 95.5 16 27 A D T 3 S+ 0 0 119 2,-0.1 -1,-0.3 426,-0.0 425,-0.0 0.505 81.9 112.4 -70.7 -3.8 38.5 48.3 93.7 17 28 A F < - 0 0 7 -3,-1.6 2,-0.4 1,-0.1 425,-0.2 -0.315 65.3-131.1 -63.4 154.4 36.5 48.0 90.4 18 29 A T E -a 442 0A 20 423,-2.0 425,-2.2 64,-0.0 2,-0.4 -0.925 22.7-172.4-123.7 143.2 34.9 51.3 89.5 19 30 A F E +a 443 0A 5 -2,-0.4 63,-3.5 423,-0.2 64,-1.4 -0.990 26.7 127.1-128.0 130.4 31.4 52.3 88.5 20 31 A G E -ab 444 83A 2 423,-2.2 425,-2.2 -2,-0.4 2,-0.3 -0.938 44.8-106.3-163.9-177.0 30.4 55.7 87.3 21 32 A A E -ab 445 84A 0 62,-0.9 64,-2.8 423,-0.3 2,-0.3 -0.810 26.3-142.8-122.8 163.5 28.8 57.8 84.6 22 33 A A E +ab 446 85A 0 423,-2.4 425,-1.6 -2,-0.3 426,-1.0 -0.904 15.7 174.6-131.6 158.7 30.1 60.1 81.9 23 34 A T - 0 0 0 62,-2.3 2,-0.4 -2,-0.3 64,-0.1 -0.957 26.8-117.6-152.0 166.3 29.3 63.4 80.1 24 35 A S > - 0 0 0 -2,-0.3 4,-1.6 62,-0.2 5,-0.4 -0.914 20.2-130.0-113.7 138.1 30.8 65.8 77.6 25 36 A A H > S+ 0 0 2 -2,-0.4 4,-2.3 1,-0.2 3,-0.4 0.906 108.2 41.0 -49.2 -54.1 31.6 69.5 78.4 26 37 A Y H 4 S+ 0 0 13 105,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.828 111.6 58.0 -68.6 -29.7 29.8 70.9 75.4 27 38 A Q H 4 S+ 0 0 2 1,-0.1 425,-1.5 -3,-0.1 -1,-0.2 0.766 124.2 15.1 -73.2 -26.4 26.9 68.6 75.7 28 39 A I H < S+ 0 0 7 -4,-1.6 37,-2.8 -3,-0.4 35,-1.4 0.669 109.3 75.0-120.3 -24.7 25.9 69.6 79.3 29 40 A E < + 0 0 8 -4,-2.3 37,-1.7 -5,-0.4 38,-0.3 0.938 55.9 171.9 -58.5 -57.6 27.7 72.8 80.2 30 41 A G + 0 0 4 -4,-0.4 31,-0.3 -5,-0.3 -1,-0.1 -0.542 39.6 110.6 75.4-149.2 25.8 75.5 78.3 31 42 A A + 0 0 4 29,-0.7 3,-0.4 -2,-0.2 6,-0.2 0.903 44.4 174.6 45.7 45.6 26.9 79.0 79.3 32 43 A W S S+ 0 0 64 28,-0.6 8,-0.2 1,-0.3 -1,-0.1 0.729 78.5 14.4 -57.5 -22.1 28.4 79.2 75.8 33 44 A N S > S+ 0 0 88 27,-0.2 3,-0.8 6,-0.1 -1,-0.3 0.276 94.9 125.2-134.8 6.7 29.4 82.8 76.4 34 45 A E G > S+ 0 0 72 -3,-0.4 3,-0.6 1,-0.2 -4,-0.0 -0.501 78.7 5.2 -75.5 138.1 29.1 83.3 80.1 35 46 A D G 3 S- 0 0 71 1,-0.2 72,-0.3 -2,-0.2 71,-0.3 0.830 130.6 -57.3 62.2 38.4 32.1 84.6 82.0 36 47 A G G < S+ 0 0 52 -3,-0.8 -1,-0.2 1,-0.2 2,-0.2 0.725 80.7 168.8 70.7 23.6 34.3 85.3 79.0 37 48 A K < - 0 0 19 -3,-0.6 55,-0.3 -6,-0.2 -1,-0.2 -0.482 34.6-118.2 -70.2 136.1 34.3 81.8 77.6 38 49 A G - 0 0 10 53,-2.4 2,-0.7 -2,-0.2 58,-0.1 -0.223 32.7 -93.2 -69.3 164.8 35.7 81.6 74.1 39 50 A E - 0 0 69 56,-0.2 97,-3.9 52,-0.1 98,-0.4 -0.706 41.1-148.4 -81.9 112.3 33.7 80.4 71.1 40 51 A S B > -J 135 0B 1 -2,-0.7 4,-1.3 95,-0.3 5,-0.1 -0.219 27.2-106.7 -73.0 173.2 34.2 76.7 70.6 41 52 A N H > S+ 0 0 3 93,-1.0 4,-2.3 1,-0.2 -1,-0.1 0.789 120.7 53.2 -71.6 -27.4 34.0 75.3 67.1 42 53 A W H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.824 99.9 60.4 -76.7 -30.8 30.6 73.7 67.8 43 54 A D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.951 110.7 43.2 -57.5 -47.6 29.2 77.1 69.0 44 55 A H H X S+ 0 0 46 -4,-1.3 4,-3.0 2,-0.2 5,-0.4 0.967 112.1 51.8 -61.5 -57.6 30.0 78.3 65.5 45 56 A F H X S+ 0 0 7 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.927 114.2 42.5 -45.8 -59.6 28.8 75.3 63.6 46 57 A C H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.875 117.5 46.1 -57.7 -43.3 25.3 75.3 65.3 47 58 A H H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.932 122.0 33.3 -68.2 -48.1 24.8 79.0 65.1 48 59 A N H < S+ 0 0 93 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.547 130.5 33.1 -87.0 -9.6 25.8 79.5 61.5 49 60 A H >< + 0 0 32 -4,-1.8 3,-1.8 -5,-0.4 -1,-0.2 -0.176 57.7 154.3-141.3 47.9 24.5 76.2 60.2 50 61 A P G > S+ 0 0 56 0, 0.0 3,-0.8 0, 0.0 6,-0.2 0.543 70.2 77.7 -55.8 -1.3 21.4 75.1 62.1 51 62 A E G 3 S+ 0 0 106 1,-0.2 -5,-0.1 5,-0.1 3,-0.0 0.194 85.5 59.3 -92.5 14.9 20.6 73.2 59.0 52 63 A R G < S+ 0 0 69 -3,-1.8 2,-0.5 -6,-0.1 -1,-0.2 0.095 89.1 84.8-123.3 13.2 23.1 70.5 60.0 53 64 A I S X S- 0 0 10 -3,-0.8 3,-2.7 -4,-0.1 403,-0.2 -0.987 85.2-127.1-119.3 122.5 21.3 69.7 63.3 54 65 A L T 3 S+ 0 0 124 401,-3.4 402,-0.1 -2,-0.5 401,-0.1 0.687 112.5 19.2 -41.7 -24.8 18.5 67.2 63.0 55 66 A D T 3 S- 0 0 59 400,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.209 109.2-111.9-132.6 15.1 16.3 69.8 64.7 56 67 A G S < S+ 0 0 31 -3,-2.7 -2,-0.1 399,-0.2 -5,-0.1 0.595 74.9 134.1 64.6 12.7 18.3 72.9 64.1 57 68 A S - 0 0 19 398,-0.1 2,-0.3 -7,-0.0 -1,-0.2 -0.010 35.7-164.6 -81.6-173.0 19.0 73.2 67.8 58 69 A N - 0 0 45 -3,-0.1 4,-0.4 4,-0.0 3,-0.3 -0.950 32.9-101.4-161.8 176.5 22.3 73.9 69.7 59 70 A S + 0 0 1 -2,-0.3 -29,-0.3 1,-0.2 4,-0.1 -0.084 64.9 130.7-104.7 38.2 23.9 73.6 73.2 60 71 A D S S+ 0 0 46 1,-0.2 -29,-0.7 -30,-0.1 -28,-0.6 0.636 99.0 8.3 -62.9 -11.1 23.6 77.2 74.4 61 72 A I S > S+ 0 0 102 -3,-0.3 3,-3.7 -31,-0.3 2,-0.3 0.531 82.5 167.8-135.6 -38.1 22.1 75.8 77.5 62 73 A G T 3 S- 0 0 2 -4,-0.4 -34,-0.2 1,-0.3 -33,-0.1 -0.359 84.2 -30.8 56.4-112.4 22.5 72.0 77.3 63 74 A A T 3 S- 0 0 0 -35,-1.4 -1,-0.3 -2,-0.3 -34,-0.1 0.035 83.5-120.9-121.4 18.2 21.7 70.8 80.8 64 75 A N X> + 0 0 38 -3,-3.7 4,-1.4 1,-0.1 3,-1.1 0.831 57.3 156.7 41.2 45.0 23.0 74.0 82.2 65 76 A S H 3> + 0 0 0 -37,-2.8 4,-1.0 1,-0.3 -36,-0.2 0.717 60.6 73.8 -69.7 -20.5 25.5 72.0 84.2 66 77 A Y H 34 S+ 0 0 16 -37,-1.7 -1,-0.3 -38,-0.4 -36,-0.1 0.827 112.2 26.5 -61.7 -30.5 27.7 75.1 84.4 67 78 A H H <4 S+ 0 0 94 -3,-1.1 -2,-0.2 -38,-0.3 -1,-0.2 0.613 128.2 45.6-105.1 -17.6 25.3 76.5 86.9 68 79 A M H >X + 0 0 38 -4,-1.4 4,-1.7 -39,-0.1 3,-1.1 0.119 66.5 117.4-114.3 21.6 23.9 73.2 88.3 69 80 A Y H 3X S+ 0 0 36 -4,-1.0 4,-2.3 1,-0.3 5,-0.3 0.815 70.3 69.5 -57.1 -29.9 27.0 71.1 88.9 70 81 A K H 3> S+ 0 0 125 1,-0.2 4,-1.2 -3,-0.2 -1,-0.3 0.906 105.1 39.2 -55.6 -42.4 26.1 71.0 92.6 71 82 A T H <> S+ 0 0 31 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.854 108.0 61.7 -77.3 -35.0 23.2 68.8 91.8 72 83 A D H X S+ 0 0 3 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.902 109.2 43.8 -55.8 -40.1 25.0 66.7 89.2 73 84 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.857 110.7 57.5 -71.7 -34.4 27.4 65.7 92.0 74 85 A R H X S+ 0 0 128 -4,-1.2 4,-2.0 -5,-0.3 -2,-0.2 0.884 107.0 45.6 -63.3 -43.0 24.3 65.2 94.2 75 86 A L H X S+ 0 0 20 -4,-2.8 4,-2.3 2,-0.2 3,-0.3 0.993 112.3 51.9 -61.0 -60.4 22.7 62.7 91.9 76 87 A L H <>S+ 0 0 0 -4,-1.7 5,-2.3 1,-0.2 -2,-0.2 0.845 110.7 48.7 -41.5 -48.8 26.0 60.8 91.5 77 88 A K H ><5S+ 0 0 106 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.906 111.0 46.6 -66.7 -43.4 26.4 60.6 95.3 78 89 A E H 3<5S+ 0 0 102 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.781 110.1 56.8 -69.4 -22.1 22.9 59.3 96.0 79 90 A M T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 409,-0.3 0.545 111.4-130.7 -79.9 -7.3 23.5 56.9 93.1 80 91 A G T < 5 + 0 0 26 -3,-1.4 -3,-0.2 -5,-0.3 -2,-0.1 0.757 40.9 177.5 63.5 26.9 26.6 55.8 95.1 81 92 A M < - 0 0 12 -5,-2.3 -61,-0.2 1,-0.1 -1,-0.1 -0.170 30.5-148.7 -60.4 154.7 28.8 56.1 92.1 82 93 A D S S+ 0 0 58 -63,-3.5 42,-2.8 1,-0.3 2,-0.3 0.790 76.3 6.1 -93.2 -35.6 32.6 55.4 92.5 83 94 A A E -bc 20 124A 0 -64,-1.4 -62,-0.9 40,-0.3 2,-0.4 -0.944 56.6-143.2-146.6 165.2 33.6 57.9 89.8 84 95 A Y E -bc 21 125A 3 40,-2.3 42,-2.2 -2,-0.3 2,-0.8 -0.991 11.7-155.2-133.1 123.2 32.5 60.6 87.4 85 96 A R E +bc 22 126A 0 -64,-2.8 -62,-2.3 -2,-0.4 2,-0.3 -0.850 29.0 155.0-102.8 107.2 33.9 61.1 83.9 86 97 A F E - c 0 127A 5 -2,-0.8 42,-2.2 40,-0.5 2,-0.3 -0.811 31.2-128.3-124.9 166.0 33.6 64.7 82.6 87 98 A S E - c 0 128A 2 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.809 14.1-124.8-118.0 160.2 35.4 66.8 80.1 88 99 A I - 0 0 0 40,-1.9 2,-0.8 -2,-0.3 43,-0.4 -0.861 21.3-124.1-104.7 133.4 37.0 70.3 80.2 89 100 A S > - 0 0 3 -2,-0.4 4,-1.2 1,-0.2 3,-0.4 -0.631 12.9-161.1 -79.2 106.8 36.2 73.1 77.7 90 101 A W H >> S+ 0 0 0 -2,-0.8 4,-3.3 43,-0.4 3,-0.7 0.914 94.8 50.2 -52.0 -45.0 39.4 74.3 76.0 91 102 A P H 34 S+ 0 0 0 0, 0.0 -53,-2.4 0, 0.0 -1,-0.2 0.823 107.1 53.4 -64.9 -32.1 37.6 77.5 75.1 92 103 A R H 34 S+ 0 0 1 -3,-0.4 15,-0.5 -55,-0.3 -2,-0.2 0.677 118.7 35.8 -76.4 -17.4 36.3 78.1 78.6 93 104 A I H << S+ 0 0 0 -4,-1.2 11,-2.0 -3,-0.7 -3,-0.2 0.792 133.6 23.1-102.0 -40.7 39.9 77.8 79.9 94 105 A L >< - 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0 0 2 -5,-2.5 -40,-0.3 -6,-0.1 -1,-0.2 -0.947 48.4-133.9-115.9 124.1 33.9 60.3 93.9 124 135 A E E -c 83 0A 56 -42,-2.8 -40,-2.3 -2,-0.5 2,-0.4 -0.563 17.2-135.6 -78.6 127.4 36.9 59.9 91.6 125 136 A P E -c 84 0A 0 0, 0.0 2,-0.6 0, 0.0 49,-0.5 -0.671 16.3-171.6 -83.7 130.0 37.3 62.3 88.7 126 137 A Y E -c 85 0A 11 -42,-2.2 -40,-0.5 -2,-0.4 2,-0.3 -0.898 22.1-159.6-117.9 95.6 38.3 60.8 85.4 127 138 A V E -cd 86 175A 0 47,-1.7 49,-2.0 -2,-0.6 2,-0.7 -0.641 15.7-154.3 -90.1 134.1 38.9 63.9 83.3 128 139 A T E -cd 87 176A 0 -42,-2.2 -40,-1.9 -2,-0.3 3,-0.2 -0.896 4.3-162.0-103.6 109.3 38.9 64.2 79.5 129 140 A I E S+ 0 0 0 47,-2.5 2,-0.5 -2,-0.7 -39,-0.2 0.907 77.6 27.6 -57.3 -46.5 41.1 67.1 78.4 130 141 A F E + d 0 178A 2 47,-0.9 49,-1.0 46,-0.5 -1,-0.2 -0.919 54.9 168.0-127.7 113.1 39.6 67.3 74.8 131 142 A H S S- 0 0 1 -2,-0.5 -105,-0.3 -43,-0.4 47,-0.1 -0.392 73.7 -72.4-118.9 57.8 36.1 66.3 73.9 132 143 A W S S+ 0 0 12 -2,-0.1 2,-1.3 1,-0.1 -91,-0.1 0.119 96.3 122.1 82.4 -17.5 35.7 67.8 70.4 133 144 A D - 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0 0 21 -4,-0.6 3,-2.2 -5,-0.4 4,-0.3 0.997 54.3-105.7 63.7 75.4 42.6 75.4 60.9 144 155 A G G > S- 0 0 0 -6,-0.3 3,-1.4 1,-0.3 9,-0.2 0.425 95.2 -7.6 10.1-126.4 42.4 73.5 64.2 145 156 A F G 3 S+ 0 0 0 1,-0.3 77,-0.4 8,-0.1 -1,-0.3 0.300 123.2 81.3 -74.6 11.1 43.8 70.0 64.0 146 157 A L G < + 0 0 21 -3,-2.2 2,-0.3 76,-0.1 -1,-0.3 0.302 60.0 138.1 -95.4 5.1 44.0 70.5 60.3 147 158 A D X - 0 0 8 -3,-1.4 3,-0.8 -4,-0.3 -4,-0.1 -0.370 39.3-164.7 -56.6 113.0 47.3 72.4 60.8 148 159 A K T 3 S+ 0 0 174 -2,-0.3 -1,-0.2 1,-0.2 -5,-0.1 0.384 84.5 65.3 -82.6 1.2 49.6 71.1 58.1 149 160 A S T 3 S- 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.578 94.5-144.2 -96.4 -14.2 52.7 72.5 59.8 150 161 A H S < S+ 0 0 64 -3,-0.8 -2,-0.1 1,-0.1 -5,-0.0 0.953 77.5 69.2 46.9 83.3 52.2 70.1 62.7 151 162 A K S > S+ 0 0 109 -4,-0.1 4,-3.5 0, 0.0 5,-0.4 -0.047 78.7 63.6 176.0 -55.9 53.3 72.4 65.5 152 163 A S H > S+ 0 0 35 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.982 113.8 38.6 -52.9 -59.8 50.8 75.2 66.1 153 164 A I H > S+ 0 0 0 1,-0.2 4,-2.7 -9,-0.2 5,-0.3 0.925 116.8 51.3 -57.2 -47.9 48.1 72.8 67.1 154 165 A V H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.890 116.2 40.4 -58.9 -42.5 50.6 70.5 69.0 155 166 A E H X S+ 0 0 101 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.885 115.7 50.2 -75.0 -38.3 52.0 73.4 71.0 156 167 A D H X S+ 0 0 28 -4,-3.1 4,-1.0 -5,-0.4 -2,-0.2 0.831 116.3 43.4 -68.8 -29.7 48.6 75.0 71.6 157 168 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.930 112.0 52.0 -78.3 -49.5 47.3 71.6 72.7 158 169 A T H X S+ 0 0 24 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.883 109.6 49.6 -55.0 -41.8 50.3 70.8 74.9 159 170 A Y H X S+ 0 0 44 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.859 108.4 54.2 -66.3 -35.3 50.1 74.1 76.7 160 171 A F H X S+ 0 0 0 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.931 108.8 47.7 -62.9 -45.2 46.4 73.5 77.3 161 172 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.887 109.2 54.8 -63.1 -38.4 47.1 70.2 78.9 162 173 A K H X S+ 0 0 72 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.913 105.6 51.2 -61.8 -44.3 49.8 71.8 81.0 163 174 A V H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.909 111.6 48.8 -59.7 -41.0 47.4 74.4 82.3 164 175 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.939 111.8 48.2 -62.2 -48.5 45.0 71.5 83.3 165 176 A F H X S+ 0 0 3 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.870 112.8 50.6 -60.7 -36.3 47.9 69.6 84.9 166 177 A D H < S+ 0 0 82 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.866 118.3 33.6 -71.5 -38.4 48.9 72.8 86.8 167 178 A N H < S+ 0 0 62 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.661 133.5 24.6 -94.5 -14.6 45.4 73.7 88.2 168 179 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.115 88.5 106.0-135.1 20.4 43.9 70.3 88.8 169 180 A G T < S+ 0 0 25 -4,-0.8 -3,-0.1 1,-0.2 -2,-0.1 0.886 76.9 51.4 -71.6 -42.7 46.9 68.0 89.2 170 181 A D T 4 S+ 0 0 100 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.819 122.6 31.3 -65.5 -31.9 46.8 67.4 92.9 171 182 A K T 4 S+ 0 0 63 1,-0.1 2,-0.6 2,-0.0 -2,-0.2 0.853 105.6 73.4 -95.0 -41.9 43.2 66.4 92.9 172 183 A V < + 0 0 0 -4,-2.3 -1,-0.1 1,-0.1 -46,-0.1 -0.680 49.4 169.7 -80.6 116.9 42.8 64.8 89.5 173 184 A K + 0 0 70 -2,-0.6 71,-2.2 -48,-0.4 2,-0.4 0.301 62.2 55.5-106.4 3.0 44.5 61.3 89.4 174 185 A N E - e 0 244A 11 -49,-0.5 -47,-1.7 69,-0.2 2,-0.3 -0.921 65.5-174.9-142.5 115.3 43.2 60.0 86.1 175 186 A W E -de 127 245A 0 69,-3.2 71,-1.1 -2,-0.4 2,-0.4 -0.829 15.6-165.3-116.4 153.1 43.5 61.8 82.7 176 187 A L E -de 128 246A 6 -49,-2.0 -47,-2.5 -2,-0.3 -46,-0.5 -0.967 5.1-164.4-132.7 113.4 42.3 61.2 79.1 177 188 A T E S+ 0 0 0 69,-2.8 -47,-0.9 -2,-0.4 2,-0.3 0.950 72.3 9.9 -65.3 -51.4 44.1 63.2 76.4 178 189 A F E -d 130 0A 1 68,-0.2 70,-2.5 -49,-0.1 2,-0.5 -0.921 61.7-139.4-132.3 158.4 41.5 62.7 73.7 179 190 A N E S- e 0 248A 1 -49,-1.0 5,-0.3 -2,-0.3 70,-0.2 -0.965 78.5 -28.5-118.5 115.7 38.0 61.3 73.2 180 191 A E > + 0 0 20 68,-2.6 4,-1.9 -2,-0.5 3,-0.2 0.921 63.0 177.7 48.0 64.6 37.3 59.2 70.1 181 192 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.4 0.818 76.1 65.8 -65.2 -28.1 39.8 60.7 67.6 182 193 A Q H > S+ 0 0 24 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.949 111.0 35.0 -57.6 -49.3 38.6 58.1 65.0 183 194 A T H >>S+ 0 0 15 -3,-0.2 4,-3.9 2,-0.2 5,-0.6 0.999 113.3 55.7 -66.7 -71.0 35.2 59.7 64.9 184 195 A F H X5S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.3 5,-0.2 0.807 116.9 37.7 -27.0 -60.3 36.2 63.4 65.5 185 196 A T H X5S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.3 0.910 121.0 45.8 -65.3 -42.0 38.5 63.3 62.5 186 197 A S H X>S+ 0 0 6 -4,-1.9 5,-1.6 -3,-0.4 4,-1.3 0.925 118.9 41.1 -66.7 -44.3 36.2 61.0 60.4 187 198 A F H <5S+ 0 0 68 -4,-3.9 7,-3.0 3,-0.2 -1,-0.2 0.672 118.9 44.8 -79.2 -17.1 33.1 63.0 61.2 188 199 A S H < S- 0 0 5 -7,-3.0 3,-0.7 4,-0.2 4,-0.2 -0.776 98.9 -47.5-113.6 159.2 30.6 67.2 62.7 195 206 A A T 3 S+ 0 0 0 1,-0.3 -153,-0.1 -2,-0.3 -3,-0.1 -0.354 124.0 24.3 -65.9 149.1 32.2 70.6 63.0 196 207 A P T 3 S- 0 0 29 0, 0.0 -1,-0.3 0, 0.0 -7,-0.1 -0.982 94.0-145.6 -73.1 -14.7 33.7 72.2 61.1 197 208 A G < + 0 0 0 -3,-0.7 10,-2.7 -9,-0.6 2,-0.2 0.862 35.1 156.5 94.5 42.9 31.8 70.2 58.6 198 209 A R B +k 207 0C 74 -10,-2.0 2,-0.3 -4,-0.2 -4,-0.2 -0.549 5.3 149.5 -96.9 164.8 34.2 69.7 55.6 199 210 A a - 0 0 0 8,-0.8 11,-0.7 -2,-0.2 -9,-0.1 -0.969 48.6 -61.5-177.4 171.8 34.3 66.9 53.0 200 211 A S > - 0 0 22 -10,-0.4 3,-0.9 -2,-0.3 11,-0.2 -0.276 68.4 -84.9 -66.6 154.8 35.2 66.1 49.4 201 212 A P T 3 S+ 0 0 103 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.289 113.9 26.5 -62.2 145.9 33.3 68.0 46.6 202 213 A G T 3 S+ 0 0 81 1,-0.4 7,-0.1 6,-0.2 -2,-0.0 -0.228 97.1 106.4 97.3 -44.9 30.0 66.6 45.6 203 214 A L S < S- 0 0 57 -3,-0.9 2,-0.8 -2,-0.2 -1,-0.4 -0.130 79.5-109.2 -61.5 165.6 29.4 65.0 49.0 204 215 A D + 0 0 137 -3,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.752 66.7 113.7-109.9 90.6 26.8 66.7 51.2 205 216 A a S S- 0 0 3 -2,-0.8 -12,-0.1 -5,-0.1 -6,-0.1 -0.808 77.2 -89.6-137.3 176.1 28.3 68.5 54.3 206 217 A A S S+ 0 0 18 -14,-0.6 -8,-0.2 -2,-0.3 -9,-0.1 0.940 119.8 27.8 -58.7 -53.2 28.4 72.2 55.2 207 218 A Y B > S-k 198 0C 115 -10,-2.7 2,-4.8 -15,-0.1 3,-1.3 -0.534 70.4-173.8-112.4 67.2 31.7 73.2 53.5 208 219 A P T 3 + 0 0 45 0, 0.0 -6,-0.2 0, 0.0 -10,-0.1 -0.024 66.3 89.3 -53.8 44.3 32.1 70.7 50.6 209 220 A T T 3 + 0 0 113 -2,-4.8 -9,-0.1 -8,-0.1 -11,-0.1 0.423 67.3 93.2-117.6 -10.5 35.6 72.0 49.8 210 221 A G S < S- 0 0 5 -3,-1.3 2,-0.2 -11,-0.7 -21,-0.1 0.263 78.0-116.2 -67.4-160.8 37.4 69.6 52.2 211 222 A N >> - 0 0 64 -22,-0.2 4,-2.9 -11,-0.2 3,-1.3 -0.713 16.5-168.6-148.4 90.3 38.9 66.3 51.3 212 223 A S T 34 S+ 0 0 0 1,-0.3 129,-1.2 -2,-0.2 130,-0.2 0.615 91.1 52.9 -56.1 -12.4 37.3 63.2 52.9 213 224 A L T 34 S+ 0 0 40 127,-0.2 -1,-0.3 128,-0.1 4,-0.1 0.740 123.3 19.4 -96.4 -26.3 40.2 61.2 51.6 214 225 A V T <> S+ 0 0 52 -3,-1.3 4,-1.3 -25,-0.1 -2,-0.2 0.694 113.3 63.7-117.3 -23.2 43.2 63.3 52.9 215 226 A E H X S+ 0 0 20 -4,-2.9 4,-2.5 -26,-0.3 5,-0.4 0.926 93.6 58.3 -70.2 -48.2 41.9 65.5 55.8 216 227 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.884 109.6 47.7 -49.8 -41.0 40.9 62.8 58.4 217 228 A Y H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 109.6 52.1 -68.7 -39.7 44.4 61.5 58.3 218 229 A T H X S+ 0 0 26 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.951 114.6 41.1 -62.3 -50.2 46.0 65.0 58.7 219 230 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.892 116.0 50.6 -65.4 -40.0 43.9 65.9 61.7 220 231 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.844 107.2 54.7 -66.9 -33.3 44.3 62.5 63.2 221 232 A H H X S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.906 108.1 48.3 -67.1 -41.8 48.0 62.7 62.7 222 233 A N H >X S+ 0 0 0 -4,-1.9 4,-2.7 -77,-0.4 3,-0.5 0.961 106.9 57.0 -62.5 -50.0 48.2 65.9 64.7 223 234 A I H 3X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.903 107.4 47.8 -44.8 -51.6 46.1 64.4 67.5 224 235 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.865 111.5 51.1 -61.7 -34.2 48.6 61.6 67.9 225 236 A L H S+ 0 0 31 -4,-1.8 4,-1.6 2,-0.2 5,-0.6 0.896 113.2 51.1 -61.7 -43.2 55.0 66.4 79.7 234 245 A Y H >X>S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 5,-2.1 0.988 110.8 45.8 -61.6 -57.1 52.8 64.5 82.1 235 246 A N H 3<5S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.774 113.5 52.5 -57.6 -27.3 55.3 61.7 82.7 236 247 A K H 3<5S+ 0 0 132 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.796 129.3 3.4 -85.3 -25.1 58.1 64.1 83.2 237 248 A H H <<5S+ 0 0 131 -4,-1.6 -2,-0.2 -3,-0.7 -3,-0.2 0.592 132.5 34.0-134.4 -14.9 56.7 66.5 85.9 238 249 A Y T < - 0 0 133 -67,-0.1 3,-2.2 -2,-0.0 -2,-0.1 -0.817 41.0-104.1-115.3 157.0 52.7 60.2 90.6 241 252 A D T 3 S+ 0 0 172 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.551 124.0 42.1 -61.6 -2.3 52.9 56.5 91.4 242 253 A D T 3 S+ 0 0 96 2,-0.0 2,-0.3 -68,-0.0 -1,-0.3 0.136 97.9 84.7-131.1 21.2 49.2 56.7 91.8 243 254 A T < - 0 0 8 -3,-2.2 2,-0.3 -69,-0.0 -69,-0.2 -0.874 56.2-162.3-119.5 155.6 48.0 58.9 88.9 244 255 A R E -e 174 0A 49 -71,-2.2 -69,-3.2 -2,-0.3 2,-0.3 -0.974 9.2-168.9-140.0 154.8 47.3 57.7 85.3 245 256 A I E +e 175 0A 0 -2,-0.3 70,-2.2 -71,-0.2 71,-1.0 -0.963 26.8 121.5-138.9 152.0 46.9 59.2 81.8 246 257 A G E -ef 176 316A 0 -71,-1.1 -69,-2.8 -2,-0.3 2,-0.3 -0.922 45.4 -96.0-179.0-160.7 45.7 57.7 78.6 247 258 A L E - f 0 317A 0 69,-0.5 71,-3.3 -2,-0.3 2,-0.5 -0.971 20.0-120.4-144.3 161.0 43.0 58.1 75.9 248 259 A A E -ef 179 318A 0 -70,-2.5 -68,-2.6 -2,-0.3 2,-0.4 -0.893 22.5-160.1-107.8 125.3 39.6 56.9 74.9 249 260 A F E - f 0 319A 4 69,-2.8 71,-2.4 -2,-0.5 2,-0.2 -0.835 16.1-131.7-102.5 138.0 39.0 55.2 71.5 250 261 A D E + f 0 320A 8 -2,-0.4 2,-0.3 69,-0.2 71,-0.2 -0.555 39.0 176.3 -79.0 151.6 35.5 54.9 69.9 251 262 A V E - 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0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.398 40.3-123.9 -66.0 140.5 48.5 49.5 61.4 289 300 A F H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.900 110.2 59.6 -48.0 -48.8 50.3 47.8 58.4 290 301 A S H >> S+ 0 0 18 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.910 105.4 47.3 -46.6 -54.4 47.0 47.5 56.5 291 302 A M H 3> S+ 0 0 5 -3,-0.4 4,-2.6 1,-0.3 3,-0.4 0.871 107.9 53.5 -60.6 -41.4 46.5 51.3 56.6 292 303 A R H 3< S+ 0 0 6 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.787 115.2 44.1 -65.1 -22.2 50.0 52.2 55.5 293 304 A S H << S+ 0 0 5 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.609 121.3 35.8 -96.0 -15.0 49.4 49.8 52.5 294 305 A L H < S+ 0 0 13 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.2 0.650 126.8 34.7-110.1 -23.2 45.9 50.9 51.6 295 306 A A S >< S+ 0 0 0 -4,-2.6 3,-1.5 -5,-0.2 4,-0.4 0.201 88.7 170.6-110.9 8.1 46.0 54.7 52.3 296 307 A R G > + 0 0 74 1,-0.3 3,-0.8 -5,-0.2 -1,-0.2 0.229 66.2 6.9 23.2-105.4 49.6 54.6 51.1 297 308 A E G 3 S+ 0 0 149 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.751 115.9 75.3 -73.7 -28.5 50.9 58.2 50.8 298 309 A R G < S+ 0 0 39 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.459 86.1 74.1 -67.0 1.5 47.8 59.9 52.3 299 310 A L S < S- 0 0 0 -3,-0.8 -1,-0.1 -4,-0.4 -4,-0.0 -0.917 85.3-135.6-119.0 103.3 49.0 58.7 55.8 300 311 A P - 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