==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-10 3AHT . COMPND 2 MOLECULE: BETA-GLUCOSIDASE 7; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR W.CHUENCHOR,S.PENGTHAISONG,R.C.ROBINSON,J.YUVANIYAMA,J.SVAST . 942 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 675 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 48 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.2 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 6 2 1 7 0 6 0 0 0 2 4 0 4 0 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 10 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 . 4 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 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 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 6 A W 0 0 150 0, 0.0 405,-0.1 0, 0.0 463,-0.0 0.000 360.0 360.0 360.0 -37.0 7.6 28.1 33.9 2 7 A L > - 0 0 39 465,-0.1 3,-2.1 404,-0.0 462,-0.0 0.549 360.0-141.9 -92.2 -12.4 11.0 26.3 34.0 3 8 A G T 3 - 0 0 52 1,-0.3 3,-0.1 407,-0.0 0, 0.0 0.818 67.3 -53.9 54.6 34.0 11.5 27.4 37.5 4 9 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.430 105.2 137.4 84.3 -1.2 15.2 28.0 36.9 5 10 A L < + 0 0 4 -3,-2.1 -1,-0.3 3,-0.1 2,-0.3 -0.557 15.4 127.0 -82.2 143.5 15.6 24.4 35.7 6 11 A S S > S- 0 0 43 -2,-0.2 3,-1.8 -3,-0.1 4,-0.2 -0.945 74.2 -79.1-176.0 174.0 17.8 23.6 32.6 7 12 A R G > S+ 0 0 50 461,-0.7 3,-1.6 463,-0.3 7,-0.2 0.833 126.8 62.3 -60.5 -30.1 20.6 21.4 31.6 8 13 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.731 93.6 64.9 -64.2 -21.4 23.0 23.9 33.3 9 14 A A G < S+ 0 0 17 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.482 101.2 57.6 -83.7 -2.7 21.2 23.1 36.5 10 15 A F S < S- 0 0 13 -3,-1.6 3,-0.1 -4,-0.2 4,-0.1 -0.828 101.4 -74.6-124.4 167.0 22.4 19.5 36.5 11 16 A P > - 0 0 42 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.171 62.1 -88.4 -58.6 150.3 25.8 17.8 36.3 12 17 A K T 3 S+ 0 0 176 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.326 114.9 15.8 -55.7 136.2 27.7 17.9 33.0 13 18 A R T 3 S+ 0 0 224 1,-0.2 -1,-0.3 -3,-0.1 -6,-0.0 0.604 85.5 160.4 73.9 9.9 26.7 14.9 30.9 14 19 A F < - 0 0 13 -3,-1.9 2,-0.5 -7,-0.2 -1,-0.2 -0.370 38.4-123.6 -57.7 143.2 23.6 14.1 33.0 15 20 A V E -a 424 0A 27 408,-1.7 410,-3.2 -3,-0.1 2,-0.4 -0.835 25.4-171.6-103.4 127.1 21.2 11.9 31.0 16 21 A F E +a 425 0A 2 -2,-0.5 62,-2.2 408,-0.2 63,-1.4 -0.951 22.1 143.2-113.5 132.6 17.6 12.9 30.3 17 22 A G E -ab 426 79A 1 408,-2.5 410,-2.4 -2,-0.4 2,-0.3 -0.846 39.1-118.2-148.2-175.5 15.1 10.4 28.7 18 23 A T E -ab 427 80A 0 61,-0.9 63,-2.8 408,-0.3 2,-0.4 -0.923 27.2-137.9-130.3 163.7 11.6 9.0 28.4 19 24 A V E + b 0 81A 0 408,-1.9 411,-1.5 -2,-0.3 410,-0.5 -0.907 24.2 160.0-127.9 144.3 10.4 5.5 29.0 20 25 A T - 0 0 3 61,-2.3 2,-0.3 -2,-0.4 413,-0.0 -0.872 24.9-136.1-139.2 179.9 8.1 2.9 27.6 21 26 A S > - 0 0 1 -2,-0.3 4,-1.4 61,-0.2 5,-0.4 -0.990 24.3-110.5-140.5 152.0 7.8 -0.9 27.9 22 27 A A H >> S+ 0 0 2 -2,-0.3 4,-2.8 1,-0.3 3,-1.4 0.902 112.1 35.1 -44.9 -72.1 7.2 -3.6 25.3 23 28 A Y H 34 S+ 0 0 8 1,-0.3 4,-0.3 102,-0.3 -1,-0.3 0.808 114.5 60.7 -58.9 -28.6 3.7 -4.8 26.0 24 29 A Q H 34 S+ 0 0 1 -3,-0.3 410,-2.0 1,-0.1 -1,-0.3 0.758 126.2 4.8 -75.6 -22.7 2.5 -1.4 27.0 25 30 A V H << S+ 0 0 1 -4,-1.4 36,-2.1 -3,-1.4 34,-0.5 0.633 109.0 77.6-131.5 -27.5 3.3 0.3 23.6 26 31 A E < - 0 0 7 -4,-2.8 36,-2.1 -5,-0.4 37,-0.3 0.906 62.4-175.5 -59.5 -47.8 4.4 -2.1 20.9 27 32 A G + 0 0 4 -5,-0.4 30,-0.3 -4,-0.3 4,-0.1 -0.461 50.0 102.8 71.7-156.9 1.1 -3.7 19.9 28 33 A M > + 0 0 11 28,-0.7 3,-1.4 -2,-0.1 6,-0.2 0.894 46.2 164.2 46.5 42.8 1.4 -6.5 17.4 29 34 A A T 3 S+ 0 0 4 27,-1.6 -1,-0.1 1,-0.3 27,-0.1 0.855 73.6 27.7 -58.8 -36.4 0.9 -8.8 20.4 30 35 A A T 3 S+ 0 0 84 26,-0.2 -1,-0.3 6,-0.1 2,-0.2 -0.155 114.8 69.6-121.8 37.7 0.0 -11.7 18.2 31 36 A S X + 0 0 17 -3,-1.4 3,-2.6 -4,-0.1 472,-0.1 -0.795 68.2 52.8-140.9-175.5 1.9 -10.9 15.0 32 37 A G T 3 S- 0 0 5 1,-0.3 69,-0.2 -2,-0.2 72,-0.1 0.699 130.0 -66.0 54.8 17.2 5.4 -10.7 13.6 33 38 A G T 3 S+ 0 0 42 1,-0.2 -1,-0.3 67,-0.1 68,-0.0 0.512 89.8 160.3 87.5 6.6 5.7 -14.2 15.0 34 39 A R < - 0 0 20 -3,-2.6 54,-0.2 -6,-0.2 -1,-0.2 -0.313 31.6-137.9 -66.6 142.1 5.4 -13.1 18.6 35 40 A G - 0 0 5 52,-2.0 2,-0.1 1,-0.1 52,-0.1 -0.618 30.4 -92.3 -94.7 159.0 4.4 -15.7 21.2 36 41 A P - 0 0 68 0, 0.0 94,-2.5 0, 0.0 95,-0.5 -0.447 35.3-154.9 -75.3 143.2 1.9 -15.0 24.0 37 42 A S B >> -I 129 0B 0 92,-0.3 4,-1.6 93,-0.2 3,-0.9 -0.591 36.9 -97.3-104.7 173.4 3.1 -13.8 27.5 38 43 A I H 3> S+ 0 0 15 90,-2.4 4,-2.6 1,-0.3 5,-0.1 0.824 124.8 58.0 -62.1 -29.0 1.3 -14.2 30.8 39 44 A W H 3> S+ 0 0 4 89,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.793 100.5 56.1 -72.0 -27.5 -0.2 -10.7 30.3 40 45 A D H <> S+ 0 0 15 -3,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.970 111.9 42.1 -64.7 -53.1 -1.8 -11.7 27.0 41 46 A A H >X S+ 0 0 41 -4,-1.6 3,-0.7 1,-0.2 4,-0.5 0.978 118.3 46.9 -53.9 -57.1 -3.6 -14.5 28.7 42 47 A F H >< S+ 0 0 13 -4,-2.6 3,-1.6 1,-0.2 6,-0.2 0.916 112.3 48.8 -50.1 -53.1 -4.5 -12.3 31.7 43 48 A A H 3< S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.3 6,-0.2 0.727 108.7 54.0 -65.1 -25.1 -5.6 -9.3 29.6 44 49 A H H << S+ 0 0 99 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.2 0.449 85.4 99.0 -89.9 -1.2 -7.9 -11.5 27.4 45 50 A T S X< S- 0 0 70 -3,-1.6 3,-2.2 -4,-0.5 4,-0.3 -0.782 86.8-111.1 -90.2 116.0 -9.7 -12.9 30.4 46 51 A P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.109 99.6 19.9 -49.0 134.1 -13.0 -11.1 30.9 47 52 A G T 3 S+ 0 0 67 2,-0.3 -4,-0.1 -4,-0.1 4,-0.1 0.251 95.1 99.9 94.0 -11.6 -12.9 -8.9 34.0 48 53 A N S < S+ 0 0 28 -3,-2.2 2,-0.3 -6,-0.2 -5,-0.1 0.841 84.2 32.2 -76.9 -34.8 -9.2 -8.7 34.5 49 54 A V S > S- 0 0 8 -4,-0.3 3,-2.2 -6,-0.2 -2,-0.3 -0.924 98.0 -84.5-126.6 148.7 -8.6 -5.3 33.0 50 55 A A G > S- 0 0 36 387,-2.3 3,-2.4 -2,-0.3 390,-0.3 -0.185 114.0 -1.5 -46.8 135.0 -10.7 -2.1 32.8 51 56 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 388,-0.1 387,-0.0 0.731 118.4 -82.1 53.9 24.8 -13.2 -2.2 29.9 52 57 A N G < S+ 0 0 96 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.762 84.4 161.4 50.6 28.5 -11.8 -5.6 29.0 53 58 A Q < + 0 0 88 -3,-2.4 2,-0.2 -4,-0.1 -1,-0.1 -0.286 14.4 177.6 -73.9 162.4 -8.9 -3.8 27.2 54 59 A N - 0 0 32 -10,-0.1 4,-0.4 -2,-0.0 3,-0.3 -0.849 40.9 -98.8-149.9-173.3 -5.6 -5.4 26.2 55 60 A G S S+ 0 0 1 -2,-0.2 -28,-0.3 1,-0.2 -26,-0.3 0.091 76.0 117.2-104.7 23.6 -2.3 -4.7 24.5 56 61 A D S S+ 0 0 59 1,-0.1 -27,-1.6 -28,-0.1 -28,-0.7 0.959 101.5 3.7 -54.6 -52.6 -3.1 -6.2 21.1 57 62 A V S > S+ 0 0 56 -30,-0.3 3,-2.1 -3,-0.3 4,-0.2 0.805 86.4 159.1-101.5 -39.6 -2.7 -2.9 19.4 58 63 A A T 3 S- 0 0 5 -4,-0.4 -33,-0.2 1,-0.3 -32,-0.1 -0.263 82.6 -28.8 51.6-130.5 -1.7 -0.5 22.2 59 64 A T T 3 S- 0 0 0 -34,-0.5 -1,-0.3 -35,-0.1 -33,-0.1 0.446 82.0-128.9 -93.9 -0.4 -0.0 2.5 20.7 60 65 A D X> + 0 0 0 -3,-2.1 3,-1.6 -35,-0.2 4,-1.0 0.857 51.6 156.4 57.1 39.6 1.1 0.4 17.7 61 66 A Q H 3> + 0 0 6 -36,-2.1 4,-1.8 1,-0.3 -35,-0.2 0.795 60.0 79.0 -64.8 -26.2 4.7 1.6 18.0 62 67 A Y H 34 S+ 0 0 23 -36,-2.1 -1,-0.3 -37,-0.3 -35,-0.1 0.825 107.7 29.3 -49.7 -32.7 5.7 -1.5 16.3 63 68 A H H <4 S+ 0 0 23 -3,-1.6 -1,-0.3 -37,-0.3 -2,-0.2 0.649 128.5 40.4-101.1 -18.5 4.7 0.3 13.1 64 69 A R H >X + 0 0 4 -4,-1.0 4,-2.1 1,-0.1 3,-0.7 0.184 69.7 121.0-118.6 16.8 5.3 3.9 14.2 65 70 A Y H 3X S+ 0 0 30 -4,-1.8 4,-2.6 1,-0.3 5,-0.2 0.897 76.3 54.2 -50.5 -44.4 8.6 3.7 16.0 66 71 A K H 3> S+ 0 0 49 858,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.873 106.8 50.7 -60.8 -37.3 10.3 6.1 13.7 67 72 A E H <> S+ 0 0 20 -3,-0.7 4,-2.0 858,-0.2 -1,-0.2 0.943 112.0 48.7 -60.3 -46.2 7.7 8.7 14.2 68 73 A D H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.856 109.7 51.0 -63.5 -38.5 8.1 8.3 17.9 69 74 A V H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.907 109.5 50.3 -67.8 -39.9 11.9 8.6 17.7 70 75 A N H X S+ 0 0 47 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.889 110.0 52.7 -61.6 -39.3 11.6 11.8 15.7 71 76 A L H X S+ 0 0 30 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.982 110.2 44.7 -60.6 -57.2 9.3 13.1 18.3 72 77 A M H <>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 3,-0.5 0.843 112.0 53.7 -60.8 -33.9 11.6 12.5 21.2 73 78 A K H ><5S+ 0 0 88 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.932 106.4 50.9 -65.9 -43.1 14.5 13.9 19.3 74 79 A S H 3<5S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.626 103.6 61.3 -71.3 -9.2 12.7 17.1 18.6 75 80 A L T 3<5S- 0 0 3 -4,-0.8 -1,-0.3 -3,-0.5 394,-0.2 0.404 116.2-116.3 -93.2 1.4 12.0 17.3 22.4 76 81 A N T < 5 + 0 0 37 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.701 58.8 155.8 74.5 22.9 15.7 17.4 23.1 77 82 A F < - 0 0 7 -5,-1.7 -1,-0.2 1,-0.1 -60,-0.2 -0.514 34.4-156.7 -77.8 149.4 16.0 14.1 24.9 78 83 A D S S+ 0 0 33 -62,-2.2 40,-2.6 -2,-0.2 2,-0.3 0.650 70.1 24.9 -93.7 -22.0 19.3 12.3 25.1 79 84 A A E -bc 17 118A 0 -63,-1.4 -61,-0.9 38,-0.3 2,-0.4 -0.927 55.6-147.8-147.4 162.5 18.1 8.8 25.7 80 85 A Y E -bc 18 119A 1 38,-2.3 40,-2.3 -2,-0.3 2,-0.6 -0.980 10.1-155.7-138.8 122.7 15.2 6.3 25.4 81 86 A R E +bc 19 120A 2 -63,-2.8 -61,-2.3 -2,-0.4 2,-0.3 -0.891 30.4 151.5-100.0 119.7 14.4 3.5 27.9 82 87 A F E - c 0 121A 5 38,-1.6 40,-2.5 -2,-0.6 2,-0.3 -0.925 33.2-124.8-139.7 165.3 12.5 0.7 26.3 83 88 A S E - c 0 122A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.765 13.7-125.6-115.4 158.5 12.1 -3.1 26.9 84 89 A I - 0 0 0 38,-2.2 2,-0.8 -2,-0.3 41,-0.2 -0.889 24.9-125.4-103.1 128.6 12.5 -6.2 24.8 85 90 A S >> - 0 0 0 -2,-0.5 4,-1.6 1,-0.2 3,-1.1 -0.613 14.9-156.0 -74.4 108.2 9.6 -8.7 24.6 86 91 A W H >> S+ 0 0 0 -2,-0.8 4,-3.3 1,-0.3 3,-0.7 0.922 94.5 47.8 -47.0 -49.5 11.1 -12.0 25.6 87 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.0 1,-0.3 -1,-0.3 0.656 103.2 60.9 -78.0 -12.9 8.3 -13.9 23.7 88 93 A R H <4 S+ 0 0 1 -3,-1.1 13,-0.3 -54,-0.2 -1,-0.3 0.809 115.5 35.5 -74.8 -31.8 8.8 -11.7 20.6 89 94 A I H << S+ 0 0 0 -4,-1.6 9,-2.6 -3,-0.7 -2,-0.2 0.864 136.6 22.6 -82.8 -44.5 12.4 -13.1 20.5 90 95 A F >< - 0 0 19 -4,-3.3 3,-3.0 -5,-0.2 -1,-0.3 -0.821 67.1-164.7-127.4 92.2 11.5 -16.6 21.8 91 96 A P T 3 S+ 0 0 9 0, 0.0 40,-0.4 0, 0.0 -1,-0.1 0.765 100.4 31.8 -46.2 -29.1 7.8 -17.4 21.2 92 97 A D T 3 S- 0 0 84 4,-0.4 -5,-0.1 2,-0.3 5,-0.1 0.277 113.0-115.9-111.7 6.9 8.3 -20.2 23.7 93 98 A G S < S+ 0 0 4 -3,-3.0 2,-0.3 -7,-0.2 58,-0.1 0.281 95.8 47.0 78.5 -13.7 10.9 -18.5 25.8 94 99 A E S S+ 0 0 57 2,-0.1 2,-0.6 -7,-0.1 -2,-0.3 -0.974 101.7 13.5-151.1 155.2 13.4 -21.1 24.9 95 100 A G S S+ 0 0 65 -2,-0.3 -2,-0.0 -4,-0.1 2,-0.0 -0.682 97.2 55.1 89.6-118.0 14.5 -22.8 21.6 96 101 A R S S- 0 0 152 -2,-0.6 -4,-0.4 1,-0.1 2,-0.3 -0.282 70.4-138.8 -64.2 134.1 13.5 -21.3 18.3 97 102 A V - 0 0 35 -7,-0.1 2,-1.0 -6,-0.1 -7,-0.2 -0.731 11.1-131.7 -89.6 139.8 14.4 -17.6 17.6 98 103 A N > - 0 0 14 -9,-2.6 4,-1.9 -2,-0.3 3,-0.5 -0.803 17.6-166.4 -92.2 102.0 11.8 -15.4 15.9 99 104 A Q H > S+ 0 0 137 -2,-1.0 4,-2.7 1,-0.3 -1,-0.2 0.859 86.1 55.9 -57.8 -39.1 13.9 -13.7 13.2 100 105 A E H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.897 106.6 51.2 -63.0 -38.2 11.2 -11.1 12.5 101 106 A G H > S+ 0 0 0 -3,-0.5 4,-1.8 -13,-0.3 5,-0.2 0.935 109.8 49.0 -62.0 -47.2 11.3 -10.1 16.2 102 107 A V H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.945 107.9 55.4 -56.7 -47.2 15.0 -9.7 16.1 103 108 A A H X S+ 0 0 41 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.900 104.9 54.6 -54.0 -43.3 14.7 -7.6 13.0 104 109 A Y H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.950 110.6 41.4 -57.1 -55.6 12.3 -5.2 14.8 105 110 A Y H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.806 113.1 56.6 -68.4 -27.5 14.6 -4.4 17.7 106 111 A N H X S+ 0 0 39 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.960 109.0 45.4 -61.2 -51.4 17.5 -4.1 15.3 107 112 A N H X S+ 0 0 82 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.887 114.3 49.7 -59.8 -39.4 15.6 -1.5 13.3 108 113 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.952 112.6 45.0 -65.3 -50.0 14.6 0.3 16.5 109 114 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.887 114.1 50.1 -62.5 -40.4 18.1 0.4 18.0 110 115 A N H X S+ 0 0 68 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.916 110.6 48.1 -66.5 -42.3 19.7 1.4 14.7 111 116 A Y H X S+ 0 0 25 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.891 110.7 52.1 -67.8 -37.8 17.2 4.3 14.1 112 117 A L H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 3,-0.4 0.950 112.9 44.2 -58.7 -49.9 17.7 5.5 17.7 113 118 A L H ><5S+ 0 0 73 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.886 109.5 57.3 -63.8 -38.3 21.5 5.6 17.2 114 119 A Q H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.0 42.9 -61.7 -31.9 21.1 7.2 13.8 115 120 A K T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.317 121.3-105.2-100.3 7.7 19.2 10.0 15.4 116 121 A G T < 5S+ 0 0 56 -3,-1.3 2,-0.5 -4,-0.2 -3,-0.2 0.747 73.8 136.4 78.4 26.3 21.5 10.4 18.3 117 122 A I < - 0 0 3 -5,-2.9 -38,-0.3 -6,-0.2 -1,-0.2 -0.925 51.4-129.5-108.1 128.3 19.4 8.8 21.0 118 123 A T E -c 79 0A 54 -40,-2.6 -38,-2.3 -2,-0.5 2,-0.3 -0.609 18.5-132.1 -81.2 121.1 21.0 6.4 23.4 119 124 A P E -c 80 0A 2 0, 0.0 46,-0.5 0, 0.0 2,-0.5 -0.552 19.9-174.0 -71.7 128.6 19.3 3.1 23.9 120 125 A Y E -cd 81 165A 20 -40,-2.3 -38,-1.6 -2,-0.3 2,-0.5 -0.951 21.4-158.3-118.5 105.1 18.8 2.0 27.5 121 126 A V E -cd 82 166A 0 44,-2.4 46,-2.8 -2,-0.5 2,-0.4 -0.757 15.7-158.0-104.2 127.4 17.4 -1.5 27.2 122 127 A N E -cd 83 167A 1 -40,-2.5 -38,-2.2 -2,-0.5 46,-0.2 -0.774 4.4-160.3 -88.6 138.8 15.3 -3.6 29.7 123 128 A L S S+ 0 0 0 44,-2.0 2,-0.3 45,-0.5 -37,-0.2 0.731 76.9 25.2 -86.8 -24.5 15.4 -7.4 29.2 124 129 A Y + 0 0 5 44,-1.0 -1,-0.2 43,-0.2 -39,-0.1 -0.999 48.5 164.7-147.7 137.1 12.2 -7.9 31.2 125 130 A H S S- 0 0 5 -2,-0.3 -102,-0.3 -41,-0.2 46,-0.1 -0.501 79.1 -62.9-153.6 73.2 9.1 -6.0 32.2 126 131 A Y S S+ 0 0 18 44,-0.2 2,-1.3 1,-0.1 -87,-0.2 0.230 103.3 116.2 73.2 -16.0 6.3 -8.2 33.5 127 132 A D + 0 0 1 -89,-0.1 -40,-0.5 -90,-0.1 -41,-0.2 -0.311 37.9 171.5 -94.4 57.6 6.1 -10.1 30.2 128 133 A L - 0 0 1 -2,-1.3 -90,-2.4 1,-0.1 -89,-0.2 -0.393 45.4-102.4 -60.3 129.9 7.1 -13.7 31.0 129 134 A P B >> -I 37 0B 0 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.355 25.3-134.1 -55.2 127.4 6.5 -16.0 28.0 130 135 A L H 3> S+ 0 0 32 -94,-2.5 4,-2.3 1,-0.3 3,-0.4 0.880 103.0 62.6 -52.4 -40.9 3.4 -18.0 28.7 131 136 A A H 3> S+ 0 0 32 -95,-0.5 4,-1.9 -40,-0.4 -1,-0.3 0.855 103.0 48.9 -56.6 -37.7 5.1 -21.2 27.7 132 137 A L H <>>S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 6,-1.3 0.831 108.4 54.7 -70.5 -32.8 7.6 -20.8 30.5 133 138 A E H X5S+ 0 0 33 -4,-1.4 4,-1.2 -3,-0.4 -2,-0.2 0.937 113.6 40.6 -63.7 -45.7 4.8 -20.2 33.0 134 139 A K H <5S+ 0 0 164 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 122.2 39.9 -73.9 -33.0 3.0 -23.4 32.0 135 140 A K H <5S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.853 131.0 18.5 -88.5 -35.4 6.1 -25.6 31.7 136 141 A Y H <5S- 0 0 48 -4,-2.2 -3,-0.2 -5,-0.2 7,-0.2 0.538 99.6-109.7-115.7 -11.2 8.3 -24.5 34.6 137 142 A G ><< - 0 0 35 -4,-1.2 3,-1.4 -5,-0.6 -4,-0.2 0.683 52.3-111.8 85.5 18.3 6.0 -22.7 37.0 138 143 A G G > S- 0 0 0 -6,-1.3 3,-2.2 1,-0.2 6,-0.2 -0.160 82.1 -6.6 60.1-145.1 7.5 -19.3 36.2 139 144 A W G 3 S+ 0 0 3 1,-0.3 -1,-0.2 4,-0.1 70,-0.2 0.482 120.1 77.1 -70.2 -1.1 9.5 -17.4 38.9 140 145 A L G < S+ 0 0 51 -3,-1.4 2,-0.5 69,-0.1 -1,-0.3 0.603 85.7 79.4 -76.4 -10.4 8.6 -20.0 41.5 141 146 A N S X S- 0 0 57 -3,-2.2 3,-2.3 1,-0.1 4,-0.1 -0.873 72.4-148.6-108.3 123.0 11.2 -22.2 39.9 142 147 A A T > S+ 0 0 65 -2,-0.5 3,-1.7 1,-0.3 4,-0.4 0.708 93.5 79.6 -55.8 -20.8 15.0 -21.8 40.5 143 148 A K T 3> + 0 0 90 1,-0.3 4,-1.9 -7,-0.2 3,-0.4 0.662 69.9 85.5 -62.3 -14.9 15.4 -23.0 36.9 144 149 A M H <> S+ 0 0 0 -3,-2.3 4,-3.1 1,-0.2 -1,-0.3 0.721 77.3 65.9 -60.5 -24.7 14.5 -19.4 35.8 145 150 A A H <> S+ 0 0 17 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.964 105.2 41.4 -62.8 -52.0 18.1 -18.4 36.2 146 151 A D H > S+ 0 0 80 -3,-0.4 4,-2.8 -4,-0.4 5,-0.3 0.972 117.8 47.4 -56.6 -56.9 19.3 -20.7 33.4 147 152 A L H X S+ 0 0 14 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.914 115.9 44.0 -55.1 -46.7 16.3 -19.8 31.2 148 153 A F H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.870 112.4 53.6 -67.1 -35.9 16.7 -16.0 31.8 149 154 A T H X S+ 0 0 8 -4,-2.7 4,-3.1 -5,-0.2 -2,-0.2 0.918 107.9 48.4 -66.7 -44.3 20.5 -16.3 31.4 150 155 A E H X S+ 0 0 102 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.906 113.0 50.2 -59.1 -41.1 20.2 -17.9 28.0 151 156 A Y H X S+ 0 0 2 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.940 112.7 45.3 -61.9 -47.9 17.7 -15.2 27.0 152 157 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.915 108.8 58.2 -60.5 -42.9 20.0 -12.5 28.2 153 158 A D H X S+ 0 0 8 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.917 104.5 49.7 -54.9 -48.5 22.9 -14.2 26.4 154 159 A F H X S+ 0 0 34 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.902 111.3 49.5 -60.5 -41.3 21.2 -14.0 23.1 155 160 A C H X>S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.8 0.938 111.2 48.1 -62.8 -47.5 20.4 -10.3 23.6 156 161 A F H X5S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.943 116.2 44.9 -58.5 -47.1 24.0 -9.5 24.5 157 162 A K H <5S+ 0 0 119 -4,-2.8 4,-0.2 -5,-0.2 -2,-0.2 0.933 119.8 41.0 -60.0 -45.0 25.2 -11.4 21.5 158 163 A T H <5S+ 0 0 36 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.807 135.0 10.2 -82.6 -32.6 22.7 -9.9 19.1 159 164 A F H >X5S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 3,-2.1 0.418 96.2 101.3-123.6 -4.4 22.5 -6.2 20.1 160 165 A G T 3<> - 0 0 18 65,-2.7 4,-1.3 -2,-0.5 3,-0.9 0.924 58.2-176.0 51.5 60.9 10.4 -3.8 39.9 172 177 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.645 80.1 68.3 -59.5 -10.1 10.6 -7.4 40.9 173 178 A R H 3> S+ 0 0 21 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.910 96.6 48.5 -74.1 -42.3 8.9 -6.2 44.1 174 179 A I H <>>S+ 0 0 29 -3,-0.9 4,-2.4 2,-0.2 5,-0.5 0.857 111.3 52.1 -66.0 -35.4 5.6 -5.4 42.3 175 180 A V H X>S+ 0 0 15 -4,-1.3 4,-2.2 2,-0.2 5,-0.5 0.980 113.7 42.3 -60.5 -56.8 5.8 -8.9 40.7 176 181 A A H X>S+ 0 0 0 -4,-1.9 4,-1.6 3,-0.2 5,-0.6 0.937 122.2 40.3 -54.9 -51.1 6.2 -10.6 44.0 177 182 A L H X>S+ 0 0 17 -4,-3.2 5,-2.8 3,-0.2 4,-1.6 0.977 125.2 31.0 -67.1 -59.6 3.6 -8.4 45.7 178 183 A L H <5S+ 0 0 38 -4,-2.4 7,-3.2 -5,-0.2 6,-0.7 0.727 127.5 41.8 -75.8 -21.6 0.8 -8.1 43.1 179 184 A G H < S- 0 0 14 -7,-3.2 3,-3.2 4,-0.2 4,-0.4 -0.846 103.6 -42.5-115.5 161.5 -1.5 -9.5 38.7 186 191 A P T 3 S+ 0 0 13 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.333 127.3 30.4 -58.4 142.0 -0.5 -12.6 36.8 187 192 A P T 3 S- 0 0 28 0, 0.0 -8,-0.1 0, 0.0 8,-0.1 -0.905 92.5-147.7 -87.2 24.2 -0.2 -15.4 37.7 188 193 A K < + 0 0 83 -3,-3.2 7,-0.6 1,-0.2 2,-0.3 0.953 37.5 159.1 49.1 62.1 -2.8 -14.2 40.2 189 194 A R + 0 0 53 -10,-2.5 2,-0.3 -4,-0.4 8,-0.3 -0.869 2.2 125.1-115.2 151.5 -1.5 -16.4 43.0 190 195 A a - 0 0 6 6,-1.7 3,-0.3 -2,-0.3 -9,-0.1 -0.923 69.1 -74.4 174.9 173.7 -2.1 -15.9 46.8 191 196 A T S S+ 0 0 87 -10,-0.4 6,-0.1 -2,-0.3 -1,-0.1 0.903 129.6 27.6 -56.7 -48.5 -3.4 -17.8 49.8 192 197 A K S S+ 0 0 198 -3,-0.1 -1,-0.2 4,-0.1 5,-0.1 0.594 97.2 125.1 -89.1 -8.4 -7.2 -17.6 49.0 193 198 A a > - 0 0 26 -3,-0.3 3,-1.4 3,-0.1 -3,-0.1 -0.059 66.1-129.8 -61.0 149.1 -6.6 -17.4 45.2 194 199 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -5,-0.1 3,-0.1 0.842 108.6 56.7 -65.7 -34.7 -8.2 -19.8 42.7 195 200 A A T 3 S- 0 0 59 -7,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.426 115.9-117.3 -75.9 2.4 -4.9 -20.5 41.0 196 201 A G < + 0 0 30 -3,-1.4 -6,-1.7 -6,-0.1 -1,-0.3 -0.389 52.7 142.1 86.0-173.4 -3.5 -21.6 44.4 197 202 A G - 0 0 23 -8,-0.3 2,-0.2 -6,-0.1 -1,-0.1 -0.632 44.1-113.8 127.4 174.1 -0.6 -19.9 46.1 198 203 A N >> - 0 0 62 -18,-0.3 4,-2.6 -2,-0.2 3,-1.6 -0.761 11.1-163.3-155.0 100.8 0.7 -18.8 49.5 199 204 A S T 34 S+ 0 0 9 1,-0.3 129,-1.5 -2,-0.2 130,-0.1 0.636 90.0 54.9 -63.8 -15.9 1.0 -15.1 50.4 200 205 A A T 34 S+ 0 0 5 127,-0.2 -1,-0.3 126,-0.2 127,-0.2 0.646 124.0 17.3 -92.0 -15.4 3.4 -15.8 53.3 201 206 A T T X> S+ 0 0 40 -3,-1.6 4,-1.6 -21,-0.2 3,-0.6 0.705 112.4 63.3-124.3 -40.8 6.0 -17.8 51.4 202 207 A E H 3X S+ 0 0 18 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.885 93.7 62.1 -66.4 -41.4 5.8 -17.4 47.7 203 208 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.870 108.8 45.2 -50.7 -38.1 6.6 -13.7 47.6 204 209 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.869 110.0 52.5 -77.2 -37.7 10.0 -14.5 49.1 205 210 A I H X S+ 0 0 63 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.941 111.3 48.6 -58.1 -47.0 10.6 -17.4 46.8 206 211 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.934 111.2 48.1 -61.4 -48.6 9.9 -15.2 43.8 207 212 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.899 109.1 53.8 -59.3 -43.4 12.2 -12.3 44.9 208 213 A H H X S+ 0 0 14 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.936 109.4 48.0 -58.4 -47.0 15.1 -14.7 45.7 209 214 A N H X S+ 0 0 12 -4,-2.0 4,-3.3 -70,-0.2 -1,-0.2 0.863 107.4 55.6 -66.5 -35.7 14.9 -16.1 42.2 210 215 A F H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.961 110.6 46.3 -57.2 -49.2 14.8 -12.7 40.6 211 216 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.947 114.3 46.2 -60.0 -49.1 18.0 -11.9 42.4 212 217 A L H X S+ 0 0 28 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.933 112.9 51.1 -59.2 -45.4 19.7 -15.2 41.5 213 218 A S H X S+ 0 0 1 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.910 110.1 49.5 -58.2 -43.9 18.5 -14.7 37.9 214 219 A H H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.961 111.4 48.3 -58.6 -52.0 20.0 -11.2 37.8 215 220 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.890 110.5 51.3 -56.9 -42.7 23.3 -12.3 39.2 216 221 A A H X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.923 110.8 48.3 -62.2 -43.8 23.5 -15.2 36.7 217 222 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.894 113.6 46.1 -65.6 -40.9 22.8 -12.8 33.8 218 223 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 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