==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-11 3SCN . COMPND 2 MOLECULE: BETA-GLUCOSIDASE 7; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR S.PENGTHAISONG,S.G.WITHERS,B.KUAPRASERT,J.R.KETUDAT CAIRNS . 944 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 676 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 10.8 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 . 55 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.6 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 8 2 2 6 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 4 10 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 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 5 A N > 0 0 164 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.7 9.5 31.4 34.6 2 6 A W T 3 + 0 0 93 1,-0.3 405,-0.1 2,-0.1 463,-0.0 0.682 360.0 54.6 -70.4 -17.7 7.8 28.1 33.6 3 7 A L T > S- 0 0 30 465,-0.0 3,-1.6 3,-0.0 -1,-0.3 0.620 99.1-141.4 -81.7 -17.7 11.1 26.2 33.6 4 8 A G T < - 0 0 41 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.818 67.5 -51.5 60.7 34.6 11.7 27.4 37.2 5 9 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.405 105.4 136.5 82.9 -0.5 15.5 27.9 36.6 6 10 A L < + 0 0 5 -3,-1.6 -1,-0.3 3,-0.1 2,-0.3 -0.587 14.0 128.7 -84.1 142.1 15.9 24.4 35.2 7 11 A S S > S- 0 0 45 -2,-0.3 3,-2.1 -3,-0.1 4,-0.3 -0.913 74.3 -82.4-170.8 172.2 18.0 23.7 32.1 8 12 A R G > S+ 0 0 48 461,-0.9 3,-1.7 463,-0.3 7,-0.2 0.834 126.1 64.6 -56.3 -33.9 20.8 21.3 31.2 9 13 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.687 94.2 62.0 -60.9 -20.6 23.2 23.8 32.8 10 14 A A G < S+ 0 0 17 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.523 101.8 58.6 -85.6 -7.7 21.5 23.0 36.1 11 15 A F S < S- 0 0 10 -3,-1.7 3,-0.1 -4,-0.3 4,-0.1 -0.803 102.8 -75.6-116.2 162.8 22.5 19.3 36.0 12 16 A P > - 0 0 41 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.098 61.8 -82.4 -55.2 154.5 25.9 17.8 35.8 13 17 A K T 3 S+ 0 0 176 1,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 -0.289 116.6 11.0 -51.8 134.7 27.9 17.8 32.6 14 18 A R T 3 S+ 0 0 242 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.630 84.7 164.5 66.3 14.2 26.8 14.8 30.3 15 19 A F < - 0 0 11 -3,-1.8 2,-0.4 -7,-0.2 -1,-0.2 -0.472 36.7-124.3 -59.5 130.8 23.7 14.0 32.5 16 20 A V E -a 425 0A 27 408,-1.9 410,-2.9 -2,-0.2 2,-0.4 -0.708 26.3-172.0 -89.1 125.7 21.4 11.8 30.4 17 21 A F E +a 426 0A 2 -2,-0.4 62,-2.7 408,-0.2 63,-1.5 -0.963 22.4 141.0-112.7 135.1 17.7 12.8 29.8 18 22 A G E -ab 427 80A 0 408,-2.1 410,-2.2 -2,-0.4 2,-0.3 -0.900 40.9-114.2-153.1-179.0 15.3 10.4 28.2 19 23 A T E -ab 428 81A 0 61,-1.1 63,-3.1 408,-0.3 2,-0.3 -0.854 26.9-138.6-122.0 167.0 11.8 8.9 28.0 20 24 A V E +ab 429 82A 0 408,-1.9 411,-2.0 -2,-0.3 410,-0.5 -0.920 23.8 160.4-129.0 144.0 10.6 5.4 28.8 21 25 A T - 0 0 2 61,-1.8 2,-0.3 -2,-0.3 3,-0.1 -0.872 26.6-134.6-138.2 177.5 8.1 2.8 27.4 22 26 A S > - 0 0 0 -2,-0.3 4,-1.4 61,-0.2 5,-0.3 -0.959 26.0-112.5-131.5 155.3 7.8 -0.9 27.8 23 27 A A H >> S+ 0 0 2 -2,-0.3 4,-2.8 1,-0.2 3,-0.8 0.919 112.6 39.4 -53.9 -57.5 7.2 -3.5 25.0 24 28 A Y H 34 S+ 0 0 6 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.831 113.0 57.5 -68.7 -30.2 3.7 -4.7 25.9 25 29 A Q H 34 S+ 0 0 1 1,-0.1 410,-2.1 34,-0.1 -1,-0.2 0.783 127.4 8.7 -68.6 -26.2 2.5 -1.2 26.9 26 30 A V H << S+ 0 0 1 -4,-1.4 36,-2.3 -3,-0.8 34,-0.5 0.696 108.3 73.8-126.4 -29.0 3.4 0.4 23.4 27 31 A E < - 0 0 8 -4,-2.8 36,-2.1 -5,-0.3 37,-0.3 0.888 60.9-174.3 -64.5 -45.9 4.4 -2.1 20.6 28 32 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.481 51.2 102.4 68.8-155.1 1.1 -3.7 19.6 29 33 A M > + 0 0 8 28,-0.7 3,-1.1 -2,-0.1 6,-0.3 0.898 47.2 161.7 47.1 44.3 1.4 -6.5 17.1 30 34 A A T 3 S+ 0 0 3 27,-1.5 -1,-0.1 1,-0.3 27,-0.1 0.805 73.0 25.4 -70.4 -30.9 1.0 -8.8 20.1 31 35 A A T 3 S+ 0 0 86 26,-0.3 2,-0.3 6,-0.1 -1,-0.3 -0.171 117.1 70.1-123.0 35.7 0.0 -11.9 18.1 32 36 A S S X S+ 0 0 18 -3,-1.1 3,-1.7 -4,-0.1 473,-0.1 -0.871 71.7 50.0-142.9 174.8 1.7 -11.0 14.8 33 37 A G T 3 S- 0 0 5 -2,-0.3 72,-0.1 1,-0.3 69,-0.1 0.722 129.1 -66.2 63.8 21.6 5.2 -10.7 13.5 34 38 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.1 0.361 91.2 153.1 81.1 -4.3 5.8 -14.2 14.9 35 39 A R < - 0 0 15 -3,-1.7 54,-0.3 -6,-0.3 -1,-0.3 -0.333 34.6-143.9 -59.4 135.0 5.5 -13.0 18.6 36 40 A G - 0 0 6 52,-2.1 -4,-0.1 1,-0.1 57,-0.1 -0.579 32.7 -82.7 -92.0 163.0 4.3 -15.7 21.0 37 41 A P - 0 0 67 0, 0.0 94,-2.5 0, 0.0 95,-0.5 -0.356 37.6-153.2 -69.7 145.9 2.0 -15.0 23.9 38 42 A S B > -I 130 0B 0 92,-0.3 4,-1.7 93,-0.1 3,-0.3 -0.657 37.3 -99.3-102.8 169.8 3.1 -13.6 27.2 39 43 A I H > S+ 0 0 15 90,-2.5 4,-2.3 -2,-0.2 5,-0.1 0.783 126.2 56.6 -57.2 -28.9 1.4 -14.1 30.6 40 44 A W H > S+ 0 0 3 89,-0.3 4,-3.2 2,-0.2 5,-0.2 0.869 100.9 55.6 -72.9 -36.9 -0.1 -10.6 30.0 41 45 A D H > S+ 0 0 13 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.959 112.9 42.1 -54.4 -50.8 -1.6 -11.6 26.7 42 46 A A H < S+ 0 0 40 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.937 117.2 47.2 -64.7 -47.2 -3.5 -14.4 28.4 43 47 A F H >< S+ 0 0 10 -4,-2.3 3,-1.2 1,-0.2 6,-0.2 0.920 112.8 48.1 -59.4 -46.2 -4.4 -12.3 31.5 44 48 A A H 3< S+ 0 0 2 -4,-3.2 6,-0.3 1,-0.3 -1,-0.2 0.769 107.4 56.3 -71.9 -25.5 -5.6 -9.3 29.4 45 49 A H T 3< S+ 0 0 100 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.432 85.7 95.3 -85.7 -2.0 -7.8 -11.5 27.1 46 50 A T S X S- 0 0 71 -3,-1.2 3,-1.8 -4,-0.3 4,-0.4 -0.823 89.0-109.0 -90.7 123.6 -9.7 -13.0 30.1 47 51 A P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.222 100.2 20.3 -52.6 135.1 -13.0 -11.1 30.6 48 52 A G T 3 S+ 0 0 65 2,-0.3 -4,-0.1 -4,-0.1 4,-0.1 0.253 94.6 98.5 93.0 -10.0 -12.9 -8.9 33.8 49 53 A N S < S+ 0 0 25 -3,-1.8 2,-0.3 -6,-0.2 -5,-0.1 0.884 83.5 35.2 -80.9 -37.7 -9.1 -8.7 34.3 50 54 A V S > S- 0 0 7 -4,-0.4 3,-2.3 -6,-0.3 -2,-0.3 -0.866 99.6 -83.9-118.3 149.2 -8.5 -5.2 32.7 51 55 A A G > S- 0 0 34 387,-2.8 3,-1.5 -2,-0.3 390,-0.3 -0.256 116.5 -1.0 -46.0 126.1 -10.5 -2.0 32.7 52 56 A G G 3 S- 0 0 62 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.678 118.5 -82.0 61.8 21.8 -13.1 -2.3 29.8 53 57 A N G < S+ 0 0 90 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.802 85.7 158.8 50.2 33.6 -11.7 -5.7 28.8 54 58 A Q < - 0 0 95 -3,-1.5 2,-0.2 -4,-0.1 -1,-0.2 -0.387 18.7-176.8 -84.7 163.8 -8.9 -4.0 26.9 55 59 A N - 0 0 36 -2,-0.1 4,-0.4 -3,-0.1 3,-0.3 -0.834 39.6-101.3-146.6 179.1 -5.6 -5.5 26.0 56 60 A G S S+ 0 0 1 -2,-0.2 -28,-0.3 1,-0.2 -26,-0.2 0.051 74.6 120.8 -98.4 26.1 -2.3 -4.6 24.3 57 61 A D S S+ 0 0 55 1,-0.1 -27,-1.5 -28,-0.1 -28,-0.7 0.876 101.2 0.0 -54.5 -40.9 -3.1 -6.2 20.9 58 62 A V S > S+ 0 0 52 -3,-0.3 3,-2.2 -30,-0.3 4,-0.2 0.691 86.6 160.2-117.8 -43.3 -2.6 -2.9 19.2 59 63 A A T 3 S- 0 0 5 -4,-0.4 -33,-0.2 1,-0.3 -32,-0.1 -0.313 82.0 -25.6 54.1-126.7 -1.7 -0.5 22.1 60 64 A T T 3 S- 0 0 0 -34,-0.5 -1,-0.3 -35,-0.1 -33,-0.1 0.457 82.7-128.0 -94.0 -2.6 0.1 2.5 20.5 61 65 A D X> + 0 0 0 -3,-2.2 4,-1.6 -35,-0.2 3,-1.5 0.820 52.1 156.3 58.8 37.1 1.2 0.5 17.5 62 66 A Q H 3> + 0 0 4 -36,-2.3 4,-1.4 1,-0.3 -35,-0.2 0.831 61.2 77.3 -61.4 -28.5 4.8 1.6 18.0 63 67 A Y H 34 S+ 0 0 24 -36,-2.1 -1,-0.3 -37,-0.2 -35,-0.1 0.849 109.9 25.5 -48.3 -39.0 5.8 -1.6 16.1 64 68 A H H <4 S+ 0 0 20 -3,-1.5 3,-0.3 -37,-0.3 -1,-0.2 0.759 128.7 43.8 -93.5 -27.9 4.8 0.2 12.9 65 69 A R H >X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 3,-0.6 0.145 70.3 119.7-107.8 15.9 5.3 3.9 13.9 66 70 A Y H 3X S+ 0 0 30 -4,-1.4 4,-2.5 1,-0.3 5,-0.2 0.806 75.2 54.4 -58.9 -31.5 8.7 3.7 15.7 67 71 A K H 3> S+ 0 0 47 859,-0.4 4,-2.4 -3,-0.3 -1,-0.3 0.901 107.5 50.3 -70.3 -38.2 10.3 6.1 13.3 68 72 A E H <> S+ 0 0 22 -3,-0.6 4,-1.8 859,-0.3 -2,-0.2 0.930 113.4 46.6 -56.0 -46.3 7.6 8.7 14.0 69 73 A D H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.854 112.0 49.4 -71.5 -35.2 8.1 8.2 17.7 70 74 A V H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.913 109.5 51.8 -69.5 -41.0 11.9 8.4 17.5 71 75 A N H X S+ 0 0 50 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.888 110.6 51.0 -60.2 -37.8 11.7 11.6 15.4 72 76 A L H X S+ 0 0 28 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.947 107.9 48.8 -69.3 -48.1 9.4 13.1 18.1 73 77 A M H <>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 -1,-0.2 0.875 112.8 49.6 -60.2 -37.9 11.7 12.3 21.0 74 78 A K H ><5S+ 0 0 93 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.920 107.7 52.7 -64.8 -45.1 14.6 13.8 19.1 75 79 A S H 3<5S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.736 104.9 57.9 -62.3 -20.1 12.6 17.0 18.3 76 80 A L T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.2 394,-0.2 0.311 117.8-114.8 -93.2 9.1 11.9 17.2 22.1 77 81 A N T < 5 + 0 0 40 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.626 59.9 154.7 68.8 22.1 15.7 17.3 22.8 78 82 A F < - 0 0 6 -5,-1.7 -1,-0.2 1,-0.1 -60,-0.2 -0.455 34.8-156.3 -74.0 151.7 16.0 14.0 24.6 79 83 A D + 0 0 34 -62,-2.7 40,-2.9 -2,-0.1 2,-0.3 0.602 69.6 22.8 -98.7 -23.2 19.4 12.2 24.7 80 84 A A E -bc 18 119A 0 -63,-1.5 -61,-1.1 38,-0.3 2,-0.4 -0.928 57.0-143.9-147.7 164.3 18.2 8.6 25.3 81 85 A Y E -bc 19 120A 0 38,-2.7 40,-2.8 -2,-0.3 2,-0.6 -0.973 8.5-157.5-138.1 122.5 15.3 6.1 25.1 82 86 A R E +bc 20 121A 1 -63,-3.1 -61,-1.8 -2,-0.4 2,-0.3 -0.892 31.7 147.2-100.1 123.2 14.5 3.5 27.6 83 87 A F E - c 0 122A 4 38,-1.7 40,-3.0 -2,-0.6 2,-0.3 -0.890 36.2-120.7-141.5 172.2 12.5 0.6 26.1 84 88 A S E - c 0 123A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.879 12.5-126.3-122.8 149.4 12.2 -3.1 26.6 85 89 A I - 0 0 0 38,-3.1 2,-0.7 -2,-0.3 41,-0.2 -0.847 27.3-127.2 -87.6 126.0 12.6 -6.2 24.5 86 90 A S >> - 0 0 0 -2,-0.5 4,-1.4 1,-0.2 3,-0.7 -0.662 14.0-154.4 -69.2 111.6 9.7 -8.6 24.4 87 91 A W H >> S+ 0 0 0 -2,-0.7 4,-3.5 1,-0.2 3,-0.9 0.942 94.5 50.0 -50.3 -53.3 11.1 -12.0 25.4 88 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.1 1,-0.3 -1,-0.2 0.673 103.7 59.2 -70.3 -15.6 8.3 -13.8 23.6 89 93 A R H <4 S+ 0 0 1 -3,-0.7 13,-0.3 -54,-0.3 -1,-0.3 0.796 116.3 34.9 -77.2 -29.5 8.8 -11.7 20.4 90 94 A I H << S+ 0 0 0 -4,-1.4 9,-3.0 -3,-0.9 -2,-0.2 0.901 137.0 22.3 -81.8 -50.7 12.4 -13.1 20.3 91 95 A F >< - 0 0 18 -4,-3.5 3,-2.7 7,-0.2 -1,-0.3 -0.867 69.1-165.4-120.1 94.5 11.5 -16.6 21.6 92 96 A P T 3 S+ 0 0 6 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.789 98.1 32.9 -50.4 -33.3 7.8 -17.4 21.0 93 97 A D T 3 S- 0 0 82 4,-0.4 -5,-0.1 2,-0.4 3,-0.0 0.230 115.7-114.4-104.7 10.2 8.2 -20.3 23.5 94 98 A G S < S+ 0 0 4 -3,-2.7 2,-0.3 -7,-0.2 58,-0.1 0.362 94.8 42.0 77.7 -7.3 10.8 -18.5 25.6 95 99 A E S S+ 0 0 56 2,-0.1 2,-0.7 -7,-0.1 -2,-0.4 -0.947 103.2 18.0-157.9 159.3 13.4 -21.0 24.7 96 100 A G S S+ 0 0 65 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.0 -0.654 97.4 58.5 84.6-114.1 14.5 -22.9 21.5 97 101 A R S S- 0 0 148 -2,-0.7 2,-0.4 1,-0.1 -4,-0.4 -0.316 70.2-139.8 -66.7 128.8 13.3 -21.4 18.2 98 102 A V - 0 0 40 -7,-0.1 2,-1.0 -2,-0.1 -7,-0.2 -0.728 9.0-136.8 -85.3 132.6 14.4 -17.7 17.4 99 103 A N > - 0 0 12 -9,-3.0 4,-2.0 -2,-0.4 3,-0.5 -0.797 17.1-168.7 -88.9 99.2 11.8 -15.4 15.7 100 104 A Q H > S+ 0 0 132 -2,-1.0 4,-2.0 1,-0.3 -1,-0.2 0.801 85.1 56.0 -62.9 -33.6 13.9 -13.7 13.1 101 105 A E H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.869 107.3 50.4 -64.9 -39.1 11.2 -11.2 12.3 102 106 A G H > S+ 0 0 0 -3,-0.5 4,-1.7 -13,-0.3 -2,-0.2 0.912 109.7 50.4 -62.5 -45.4 11.2 -10.2 16.0 103 107 A V H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.871 108.1 53.3 -58.1 -41.8 15.0 -9.8 15.9 104 108 A A H X S+ 0 0 41 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.892 104.1 56.4 -65.6 -39.1 14.7 -7.6 12.8 105 109 A Y H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.949 111.2 42.0 -56.6 -49.9 12.3 -5.3 14.6 106 110 A Y H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.888 113.2 53.0 -69.7 -35.6 14.6 -4.6 17.4 107 111 A N H X S+ 0 0 38 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.954 111.4 47.3 -57.5 -49.1 17.6 -4.3 15.1 108 112 A N H X S+ 0 0 80 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.867 113.5 47.3 -61.3 -42.2 15.6 -1.7 13.1 109 113 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.960 114.6 45.7 -61.9 -54.4 14.6 0.2 16.2 110 114 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.895 113.4 49.9 -56.3 -43.8 18.1 0.3 17.7 111 115 A N H X S+ 0 0 69 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.880 111.1 48.9 -67.6 -37.5 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62.5 -56.2 -36.1 3.4 -17.9 28.5 132 136 A A H 3> S+ 0 0 32 -95,-0.5 4,-2.5 -40,-0.4 -1,-0.3 0.858 103.6 49.3 -61.2 -34.2 5.1 -21.1 27.5 133 137 A L H <>>S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 6,-1.5 0.822 108.8 52.1 -74.9 -34.7 7.6 -20.7 30.3 134 138 A E H X5S+ 0 0 34 -4,-1.4 4,-1.2 4,-0.2 -2,-0.2 0.913 116.2 40.9 -61.0 -45.4 4.8 -20.0 32.9 135 139 A K H <5S+ 0 0 163 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.924 121.4 39.2 -72.1 -46.4 3.0 -23.2 31.8 136 140 A K H <5S+ 0 0 136 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.851 133.4 17.2 -76.4 -36.5 6.1 -25.5 31.5 137 141 A Y H <5S- 0 0 47 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.572 98.4-110.0-114.8 -13.8 8.2 -24.3 34.5 138 142 A G ><< - 0 0 25 -4,-1.2 3,-1.5 -5,-0.5 -4,-0.2 0.629 51.3-118.5 85.0 16.4 5.9 -22.4 36.8 139 143 A G G > S+ 0 0 0 -6,-1.5 3,-2.3 1,-0.2 6,-0.3 -0.181 82.5 1.2 53.1-135.3 7.6 -19.1 35.9 140 144 A W G 3 S+ 0 0 2 1,-0.3 70,-0.3 4,-0.1 -1,-0.2 0.507 119.9 73.0 -72.6 -4.8 9.4 -17.2 38.7 141 145 A L G < S+ 0 0 46 -3,-1.5 2,-0.5 69,-0.1 -1,-0.3 0.639 88.4 79.2 -71.5 -15.9 8.5 -19.8 41.4 142 146 A N S X S- 0 0 58 -3,-2.3 3,-2.1 -4,-0.1 4,-0.2 -0.859 72.6-148.4-105.9 123.6 11.1 -22.0 39.7 143 147 A A T > S+ 0 0 65 -2,-0.5 3,-1.8 1,-0.3 4,-0.4 0.729 93.1 78.3 -55.8 -26.2 14.9 -21.6 40.3 144 148 A K T 3> S+ 0 0 95 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.638 71.0 84.4 -58.4 -16.9 15.5 -22.8 36.7 145 149 A M H <> S+ 0 0 0 -3,-2.1 4,-3.5 -6,-0.3 5,-0.3 0.851 80.0 63.4 -54.9 -33.6 14.4 -19.3 35.6 146 150 A A H <> S+ 0 0 14 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.942 107.2 41.6 -57.1 -46.9 18.0 -18.2 36.2 147 151 A D H > S+ 0 0 84 -3,-0.4 4,-2.0 -4,-0.4 -2,-0.2 0.901 117.5 47.3 -65.1 -44.3 19.2 -20.6 33.4 148 152 A L H X S+ 0 0 13 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.912 114.7 45.4 -66.6 -43.3 16.3 -19.6 31.1 149 153 A F H X S+ 0 0 0 -4,-3.5 4,-3.1 2,-0.2 -2,-0.2 0.900 111.2 54.1 -65.8 -42.2 16.7 -15.9 31.6 150 154 A T H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.884 108.1 48.2 -59.5 -44.2 20.5 -16.2 31.2 151 155 A E H X S+ 0 0 106 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.896 114.0 47.9 -63.0 -41.5 20.2 -18.0 27.8 152 156 A Y H X S+ 0 0 3 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.956 114.3 46.1 -58.8 -51.9 17.7 -15.3 26.7 153 157 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.873 108.8 56.0 -60.8 -42.4 20.0 -12.5 27.9 154 158 A D H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.906 106.7 49.8 -56.8 -46.0 23.0 -14.2 26.2 155 159 A F H X S+ 0 0 35 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.921 111.8 48.1 -59.5 -45.3 21.2 -14.1 22.8 156 160 A C H X>S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.6 0.871 110.8 50.2 -66.2 -39.1 20.4 -10.4 23.2 157 161 A F H X5S+ 0 0 0 -4,-2.6 4,-1.7 3,-0.2 -2,-0.2 0.943 115.1 44.6 -62.7 -47.9 24.0 -9.5 24.2 158 162 A K H <5S+ 0 0 118 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.932 120.0 40.3 -55.6 -50.2 25.3 -11.4 21.2 159 163 A T H <5S+ 0 0 34 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.846 133.8 13.8 -78.8 -37.3 22.7 -10.0 18.8 160 164 A F H >X5S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 3,-1.9 0.554 97.8 93.9-115.9 -11.3 22.4 -6.3 19.9 161 165 A G T 3<> - 0 0 18 65,-2.1 3,-1.4 -2,-0.5 4,-1.1 0.866 60.3-177.1 49.4 59.4 10.4 -3.5 39.2 173 177 A P H 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.703 79.0 68.1 -58.5 -19.8 10.6 -7.2 40.5 174 178 A R H 3> S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.892 98.0 51.2 -65.7 -36.0 8.9 -6.0 43.7 175 179 A I H <>>S+ 0 0 29 -3,-1.4 4,-3.0 2,-0.2 5,-0.6 0.892 108.3 51.2 -68.6 -40.8 5.7 -5.3 41.8 176 180 A V H X5S+ 0 0 16 -4,-1.1 4,-2.1 2,-0.2 5,-0.4 0.956 115.1 42.8 -55.5 -50.8 5.7 -8.8 40.2 177 181 A A H X>S+ 0 0 0 -4,-2.1 4,-1.1 3,-0.2 5,-0.6 0.922 120.6 41.9 -64.8 -45.6 6.1 -10.4 43.7 178 182 A L H X>S+ 0 0 18 -4,-3.0 5,-3.0 3,-0.2 4,-1.2 0.958 125.9 29.6 -65.2 -55.0 3.6 -8.1 45.3 179 183 A L H <5S+ 0 0 35 -4,-3.0 7,-2.3 3,-0.2 6,-1.5 0.785 126.9 40.7 -84.5 -29.9 0.8 -8.0 42.7 180 184 A G H < S- 0 0 11 -7,-2.3 3,-2.4 -10,-0.1 4,-0.4 -0.740 106.4 -38.8-103.7 163.7 -1.6 -9.2 38.3 187 191 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.297 127.0 31.5 -63.8 146.3 -0.6 -12.4 36.5 188 192 A P T 3 S- 0 0 27 0, 0.0 -8,-0.1 0, 0.0 8,-0.1 -0.918 91.5-144.6 -83.5 19.5 -0.2 -15.3 37.5 189 193 A K < + 0 0 85 -3,-2.4 7,-0.6 1,-0.2 2,-0.4 0.916 38.7 162.2 56.6 50.2 -2.9 -14.1 39.9 190 194 A R + 0 0 58 -10,-2.7 -6,-0.3 -4,-0.4 2,-0.3 -0.834 3.5 124.9-108.2 139.9 -1.5 -16.1 42.8 191 195 A a > - 0 0 7 6,-1.7 3,-1.3 -2,-0.4 6,-0.1 -0.955 69.8 -83.4-172.7 173.4 -2.3 -15.6 46.5 192 196 A T T 3 S+ 0 0 90 -10,-0.4 6,-0.1 -2,-0.3 -1,-0.1 0.914 129.0 34.1 -59.5 -44.1 -3.6 -17.5 49.6 193 197 A K T 3 S+ 0 0 202 4,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.224 96.1 122.4 -95.2 17.6 -7.2 -16.9 48.7 194 198 A a X - 0 0 30 -3,-1.3 3,-2.1 3,-0.1 -3,-0.1 -0.586 65.2-133.2 -92.8 140.6 -6.8 -17.2 44.9 195 199 A A T 3 S+ 0 0 118 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.871 108.3 54.7 -48.0 -44.6 -8.5 -19.5 42.4 196 200 A A T 3 S- 0 0 61 -7,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.525 116.1-115.6 -71.7 -4.1 -5.1 -20.3 40.7 197 201 A G < + 0 0 28 -3,-2.1 -6,-1.7 -8,-0.1 -1,-0.3 -0.448 52.9 137.4 95.6-176.4 -3.6 -21.3 44.0 198 202 A G - 0 0 25 -8,-0.3 2,-0.2 -2,-0.1 -16,-0.1 -0.702 44.7-114.9 128.7-178.7 -0.7 -19.6 46.0 199 203 A N >> - 0 0 64 -18,-0.4 4,-2.3 -2,-0.2 3,-1.4 -0.727 10.8-159.9-163.3 99.9 0.5 -18.5 49.4 200 204 A S T 34 S+ 0 0 10 1,-0.2 129,-1.8 -2,-0.2 130,-0.2 0.585 90.3 59.5 -63.1 -12.9 1.0 -14.8 50.0 201 205 A A T 34 S+ 0 0 7 127,-0.3 -1,-0.2 125,-0.1 127,-0.2 0.679 122.3 14.5 -88.8 -19.9 3.3 -15.5 53.0 202 206 A T T X> S+ 0 0 39 -3,-1.4 4,-1.7 -21,-0.2 3,-0.8 0.727 111.2 67.5-124.6 -46.2 5.9 -17.5 51.1 203 207 A E H 3X S+ 0 0 21 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.859 95.5 56.7 -59.8 -40.5 5.6 -17.1 47.3 204 208 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.868 109.5 48.6 -59.3 -32.1 6.6 -13.3 47.0 205 209 A Y H <> S+ 0 0 0 -3,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.876 110.7 49.5 -73.7 -39.3 9.9 -14.2 48.8 206 210 A I H X S+ 0 0 60 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.951 112.0 49.1 -58.7 -52.7 10.6 -17.1 46.5 207 211 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.919 111.0 48.3 -53.0 -51.9 9.9 -15.0 43.4 208 212 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.888 110.1 52.8 -60.9 -40.6 12.1 -12.1 44.5 209 213 A H H X S+ 0 0 14 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.889 109.5 49.0 -61.4 -42.6 15.0 -14.5 45.3 210 214 A N H X S+ 0 0 10 -4,-2.1 4,-2.2 -70,-0.3 -2,-0.2 0.855 108.6 53.0 -69.4 -36.2 14.7 -16.0 41.8 211 215 A F H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.945 111.3 47.2 -56.3 -51.0 14.8 -12.5 40.2 212 216 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.912 114.3 45.7 -59.2 -45.6 18.0 -11.7 42.2 213 217 A L H X S+ 0 0 25 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.838 114.6 48.6 -67.9 -35.2 19.6 -15.1 41.2 214 218 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.899 111.1 50.0 -70.5 -44.0 18.5 -14.6 37.6 215 219 A H H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.955 112.3 47.9 -54.0 -50.4 19.8 -11.1 37.5 216 220 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.852 111.3 49.7 -64.5 -35.9 23.2 -12.2 38.9 217 221 A A H X S+ 0 0 22 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.876 110.4 50.4 -70.3 -38.3 23.5 -15.1 36.5 218 222 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 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