==== 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 03-NOV-08 3F5J . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR W.CHUENCHOR,J.R.KETUDAT CAIRNS,S.PENGTHAISONG,R.C.ROBINSON, . 944 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 3.7 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 . 99 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.0 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 1 5 0 4 0 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 8 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 . 5 3 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 . 3 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,-1.8 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 155.1 9.4 31.4 34.6 2 6 A W T 3 + 0 0 96 1,-0.3 405,-0.1 2,-0.1 463,-0.0 0.701 360.0 58.0 -72.1 -21.7 7.8 28.1 33.7 3 7 A L T > S- 0 0 18 465,-0.0 3,-1.7 3,-0.0 -1,-0.3 0.667 97.5-142.1 -71.6 -17.6 11.1 26.1 33.7 4 8 A G T < - 0 0 42 -3,-1.8 -2,-0.1 1,-0.3 3,-0.1 0.871 69.2 -50.7 55.6 38.1 11.5 27.3 37.4 5 9 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 -4,-0.0 -1,-0.3 0.468 106.4 136.7 81.3 2.7 15.3 27.8 36.8 6 10 A L < + 0 0 5 -3,-1.7 2,-0.3 3,-0.1 -1,-0.3 -0.616 13.8 127.2 -87.4 143.8 15.7 24.3 35.3 7 11 A S S > S- 0 0 41 -2,-0.3 3,-1.3 -3,-0.1 4,-0.2 -0.928 75.0 -80.9-168.9 178.2 17.8 23.6 32.2 8 12 A R G > S+ 0 0 47 461,-0.8 3,-1.7 463,-0.4 7,-0.2 0.853 126.6 64.1 -60.5 -32.4 20.6 21.2 31.3 9 13 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.737 94.1 61.8 -61.0 -24.5 23.0 23.7 33.0 10 14 A A G < S+ 0 0 15 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.510 102.2 59.7 -81.5 -6.8 21.3 23.0 36.3 11 15 A F S < S- 0 0 12 -3,-1.7 3,-0.1 -4,-0.2 4,-0.1 -0.790 101.6 -75.5-117.5 163.2 22.3 19.3 36.1 12 16 A P > - 0 0 38 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.142 60.3 -86.8 -55.9 149.4 25.8 17.6 36.0 13 17 A K T 3 S+ 0 0 180 1,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 -0.319 116.9 13.6 -53.4 136.6 27.8 17.7 32.7 14 18 A R T 3 S+ 0 0 221 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.563 85.6 161.2 68.5 8.1 26.7 14.7 30.5 15 19 A F < - 0 0 11 -3,-2.2 2,-0.5 -7,-0.2 -1,-0.2 -0.415 38.2-125.3 -56.6 136.9 23.6 14.0 32.7 16 20 A V E -a 425 0A 25 408,-1.9 410,-2.8 -2,-0.1 2,-0.5 -0.771 24.8-170.3 -95.8 126.7 21.2 11.8 30.6 17 21 A F E +a 426 0A 1 -2,-0.5 62,-2.8 408,-0.2 63,-1.3 -0.960 22.4 145.0-112.1 132.3 17.6 12.8 30.0 18 22 A G E -ab 427 80A 0 408,-2.4 410,-2.3 -2,-0.5 2,-0.3 -0.859 39.5-118.2-147.9-176.6 15.2 10.3 28.4 19 23 A T E -ab 428 81A 0 61,-1.0 63,-2.7 408,-0.3 2,-0.4 -0.818 27.6-138.9-125.4 166.5 11.6 8.9 28.1 20 24 A V E +ab 429 82A 0 408,-1.9 411,-1.8 -2,-0.3 410,-0.6 -0.963 24.7 159.0-133.4 141.1 10.4 5.4 28.9 21 25 A T - 0 0 1 61,-2.2 2,-0.3 -2,-0.4 3,-0.1 -0.849 26.3-135.9-134.6-178.5 8.0 2.8 27.5 22 26 A S > - 0 0 1 -2,-0.3 4,-1.5 61,-0.2 5,-0.3 -0.961 25.3-112.9-137.4 157.3 7.7 -1.0 27.8 23 27 A A H >> S+ 0 0 2 -2,-0.3 4,-3.1 1,-0.2 3,-0.8 0.931 112.4 39.8 -57.7 -58.8 7.1 -3.5 25.1 24 28 A Y H 34 S+ 0 0 9 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.866 114.3 56.9 -62.0 -33.0 3.6 -4.8 26.0 25 29 A Q H 34 S+ 0 0 1 1,-0.1 410,-2.0 2,-0.1 -1,-0.2 0.785 127.8 7.0 -71.6 -25.6 2.5 -1.3 26.9 26 30 A V H << S+ 0 0 1 -4,-1.5 36,-2.3 -3,-0.8 34,-0.4 0.641 108.1 75.0-127.2 -26.4 3.2 0.3 23.5 27 31 A E < - 0 0 7 -4,-3.1 36,-2.1 -5,-0.3 37,-0.3 0.915 61.3-173.4 -66.8 -47.6 4.3 -2.0 20.7 28 32 A G + 0 0 4 -5,-0.5 30,-0.3 28,-0.3 -1,-0.1 -0.493 52.0 101.7 74.9-156.7 1.1 -3.7 19.7 29 33 A M > + 0 0 8 28,-0.6 3,-1.3 -2,-0.1 6,-0.3 0.882 46.6 161.6 43.2 43.8 1.4 -6.5 17.2 30 34 A A T 3 S+ 0 0 3 27,-1.7 -1,-0.1 1,-0.3 27,-0.1 0.809 74.6 25.0 -66.9 -27.0 1.0 -8.8 20.2 31 35 A A T 3 S+ 0 0 85 26,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.087 117.0 72.9-126.6 29.5 0.0 -11.8 18.1 32 36 A S S X S+ 0 0 19 -3,-1.3 3,-1.6 1,-0.1 473,-0.1 -0.855 72.3 47.2-135.8 175.6 1.7 -10.9 14.9 33 37 A G T 3 S- 0 0 5 -2,-0.3 -1,-0.1 1,-0.3 72,-0.1 0.717 129.4 -66.0 63.7 19.2 5.2 -10.6 13.5 34 38 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.443 90.1 155.3 82.3 1.9 5.8 -14.1 15.0 35 39 A R < - 0 0 16 -3,-1.6 54,-0.3 -6,-0.3 -1,-0.3 -0.377 33.5-144.6 -66.0 131.8 5.4 -13.0 18.6 36 40 A G - 0 0 6 52,-2.5 52,-0.1 1,-0.1 -4,-0.1 -0.603 32.8 -84.9 -87.2 161.6 4.3 -15.7 21.0 37 41 A P - 0 0 66 0, 0.0 94,-2.9 0, 0.0 95,-0.5 -0.341 35.9-152.0 -68.8 147.1 2.0 -14.9 23.9 38 42 A S B >> -I 130 0B 0 92,-0.3 4,-1.7 93,-0.2 3,-0.5 -0.636 38.2 -99.1-102.0 170.5 3.1 -13.6 27.3 39 43 A I H 3> S+ 0 0 13 90,-2.5 4,-2.4 1,-0.2 5,-0.1 0.803 126.1 59.0 -58.9 -26.5 1.4 -14.2 30.6 40 44 A W H 3> S+ 0 0 3 89,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.829 100.5 53.3 -72.9 -33.3 -0.0 -10.6 30.1 41 45 A D H <> S+ 0 0 12 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.940 113.4 43.7 -60.5 -49.4 -1.7 -11.6 26.8 42 46 A A H < S+ 0 0 40 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.930 117.2 45.5 -61.7 -50.0 -3.5 -14.5 28.5 43 47 A F H >< S+ 0 0 11 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.919 113.4 48.7 -59.5 -47.1 -4.4 -12.4 31.5 44 48 A A H 3< S+ 0 0 2 -4,-2.6 6,-0.3 1,-0.3 -1,-0.2 0.775 106.3 57.2 -68.7 -28.3 -5.6 -9.3 29.5 45 49 A H T 3< S+ 0 0 96 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.475 85.3 96.4 -82.8 -2.5 -7.8 -11.5 27.2 46 50 A T S X S- 0 0 67 -3,-1.2 3,-2.1 -4,-0.3 4,-0.4 -0.794 88.1-110.5 -89.4 120.1 -9.7 -12.9 30.1 47 51 A P T 3 S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.181 100.1 19.7 -48.5 132.8 -13.0 -11.0 30.7 48 52 A G T 3 S+ 0 0 63 2,-0.3 4,-0.1 -4,-0.1 -4,-0.1 0.137 96.3 96.5 96.4 -18.6 -12.9 -8.9 33.9 49 53 A N S < S+ 0 0 30 -3,-2.1 2,-0.3 -6,-0.3 -5,-0.1 0.849 85.3 36.9 -74.2 -36.8 -9.1 -8.7 34.3 50 54 A V S > S- 0 0 5 -4,-0.4 3,-2.4 -6,-0.3 -2,-0.3 -0.909 99.4 -88.3-121.5 143.6 -8.5 -5.4 32.7 51 55 A A G > S+ 0 0 34 387,-2.3 3,-1.7 -2,-0.3 390,-0.3 -0.237 115.5 1.2 -43.1 128.9 -10.6 -2.1 32.7 52 56 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.641 119.5 -82.2 62.9 18.0 -13.1 -2.3 29.8 53 57 A N G < S+ 0 0 88 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.822 86.1 160.4 51.6 36.6 -11.8 -5.8 28.9 54 58 A Q < + 0 0 95 -3,-1.7 2,-0.3 384,-0.1 -1,-0.2 -0.339 17.1 179.9 -87.6 163.6 -8.9 -4.0 27.0 55 59 A N - 0 0 34 -3,-0.1 4,-0.5 -2,-0.1 3,-0.4 -0.896 40.6-102.4-149.4-180.0 -5.6 -5.5 26.1 56 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.2 0.105 74.3 120.5-100.7 22.3 -2.3 -4.7 24.4 57 61 A D S S+ 0 0 56 1,-0.2 -27,-1.7 -28,-0.1 -28,-0.6 0.885 102.0 1.6 -48.8 -45.7 -3.1 -6.4 21.0 58 62 A V S > S+ 0 0 53 -3,-0.4 3,-2.3 -30,-0.3 4,-0.2 0.710 86.8 159.7-110.7 -42.0 -2.6 -3.0 19.3 59 63 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.264 82.1 -26.4 52.3-129.2 -1.7 -0.6 22.1 60 64 A T T 3 S- 0 0 0 -34,-0.4 -1,-0.3 -35,-0.1 -33,-0.1 0.480 82.4-128.0 -91.4 -4.6 -0.0 2.5 20.6 61 65 A D X> + 0 0 0 -3,-2.3 4,-1.6 -35,-0.2 3,-1.4 0.849 51.6 157.0 59.9 39.8 1.2 0.4 17.5 62 66 A Q H 3> + 0 0 4 -36,-2.3 4,-1.2 1,-0.3 -35,-0.2 0.816 61.3 77.4 -67.7 -22.7 4.7 1.6 18.0 63 67 A Y H 34 S+ 0 0 23 -36,-2.1 -1,-0.3 -37,-0.3 3,-0.1 0.855 108.8 25.9 -48.2 -41.1 5.7 -1.5 16.1 64 68 A H H <4 S+ 0 0 19 -3,-1.4 3,-0.3 -37,-0.3 -1,-0.2 0.752 129.0 43.6 -95.6 -21.9 4.7 0.2 12.9 65 69 A R H >X S+ 0 0 4 -4,-1.6 4,-1.8 1,-0.2 3,-0.6 0.136 70.1 120.3-111.9 14.5 5.2 3.8 13.9 66 70 A Y H 3X S+ 0 0 30 -4,-1.2 4,-2.7 1,-0.3 5,-0.2 0.803 74.5 55.1 -59.9 -33.1 8.6 3.7 15.8 67 71 A K H 3> S+ 0 0 44 859,-0.4 4,-2.5 -3,-0.3 -1,-0.3 0.893 107.6 50.2 -67.6 -37.5 10.3 6.1 13.4 68 72 A E H <> S+ 0 0 22 -3,-0.6 4,-1.9 859,-0.3 -2,-0.2 0.932 112.7 46.3 -58.6 -47.9 7.6 8.7 14.1 69 73 A D H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.891 112.9 49.6 -66.6 -37.1 8.0 8.2 17.9 70 74 A V H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.921 110.0 51.0 -66.1 -45.0 11.9 8.4 17.6 71 75 A N H X S+ 0 0 40 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.887 110.7 50.8 -54.1 -41.6 11.6 11.6 15.5 72 76 A L H X S+ 0 0 25 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.940 108.7 48.1 -67.1 -46.3 9.3 13.0 18.2 73 77 A M H <>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 -1,-0.2 0.880 112.7 50.0 -64.8 -36.7 11.6 12.3 21.1 74 78 A K H ><5S+ 0 0 88 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.927 107.3 53.6 -64.8 -43.1 14.5 13.8 19.2 75 79 A S H 3<5S+ 0 0 59 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.752 105.3 55.8 -61.6 -22.5 12.4 16.9 18.4 76 80 A L T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.2 394,-0.2 0.284 117.1-115.9 -94.3 8.8 11.8 17.2 22.2 77 81 A N T < 5 + 0 0 41 -3,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.642 59.2 153.5 67.9 23.2 15.6 17.2 22.9 78 82 A F < - 0 0 6 -5,-1.7 -1,-0.2 1,-0.1 -60,-0.2 -0.505 35.3-154.6 -76.6 153.0 15.9 13.9 24.9 79 83 A D + 0 0 31 -62,-2.8 40,-2.8 -2,-0.1 2,-0.3 0.526 69.5 23.3 -98.0 -19.1 19.3 12.1 24.8 80 84 A A E -bc 18 119A 0 -63,-1.3 -61,-1.0 38,-0.3 2,-0.4 -0.956 57.1-144.6-151.6 161.9 18.1 8.6 25.4 81 85 A Y E -bc 19 120A 0 38,-2.7 40,-2.7 -2,-0.3 2,-0.6 -0.964 8.3-156.1-139.7 121.1 15.2 6.1 25.3 82 86 A R E +bc 20 121A 1 -63,-2.7 -61,-2.2 -2,-0.4 2,-0.3 -0.841 32.1 148.2 -94.4 118.6 14.4 3.4 27.7 83 87 A F E - c 0 122A 4 38,-1.9 40,-2.6 -2,-0.6 2,-0.3 -0.882 36.2-121.9-136.3 172.8 12.3 0.6 26.2 84 88 A S E - c 0 123A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.875 12.6-127.2-118.3 153.7 12.1 -3.2 26.7 85 89 A I - 0 0 0 38,-2.5 2,-0.7 -2,-0.3 41,-0.2 -0.853 28.1-125.7 -87.4 130.4 12.5 -6.2 24.5 86 90 A S >> - 0 0 0 -2,-0.5 4,-1.4 1,-0.2 3,-1.0 -0.702 14.4-152.8 -76.9 114.9 9.6 -8.6 24.5 87 91 A W H 3> S+ 0 0 0 -2,-0.7 4,-3.1 1,-0.3 3,-0.4 0.904 95.5 50.3 -55.6 -44.0 11.1 -12.0 25.4 88 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.5 1,-0.2 -1,-0.3 0.636 102.8 60.2 -78.1 -9.7 8.3 -13.9 23.6 89 93 A R H <4 S+ 0 0 1 -3,-1.0 13,-0.3 -54,-0.3 -1,-0.2 0.835 115.8 34.7 -78.0 -33.2 8.8 -11.7 20.4 90 94 A I H < S+ 0 0 0 -4,-1.4 9,-3.2 -3,-0.4 -2,-0.2 0.918 137.5 20.7 -77.5 -53.8 12.4 -13.0 20.3 91 95 A F S >< S- 0 0 18 -4,-3.1 3,-2.5 7,-0.2 -1,-0.3 -0.907 70.8-164.9-117.1 96.6 11.7 -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 0.812 96.6 36.3 -54.7 -30.7 7.9 -17.3 21.1 93 97 A D T 3 S- 0 0 82 4,-0.4 -5,-0.1 2,-0.4 5,-0.1 0.288 116.8-113.1-101.7 7.7 8.2 -20.2 23.5 94 98 A G S < S+ 0 0 3 -3,-2.5 2,-0.3 -7,-0.2 58,-0.1 0.299 95.3 36.5 81.5 -8.8 10.7 -18.5 25.7 95 99 A E S S+ 0 0 54 2,-0.1 2,-0.5 -7,-0.1 -2,-0.4 -0.940 103.2 23.8-162.5 159.5 13.5 -21.0 24.7 96 100 A G S S+ 0 0 66 -2,-0.3 -2,-0.0 -4,-0.1 2,-0.0 -0.635 97.1 53.9 84.8-120.1 14.6 -22.8 21.5 97 101 A R S S- 0 0 150 -2,-0.5 2,-0.4 1,-0.1 -4,-0.4 -0.258 70.4-139.5 -65.5 130.8 13.5 -21.3 18.2 98 102 A V - 0 0 35 -7,-0.2 2,-1.0 -6,-0.1 -7,-0.2 -0.749 10.5-135.2 -85.5 133.1 14.4 -17.6 17.4 99 103 A N > - 0 0 12 -9,-3.2 4,-2.0 -2,-0.4 3,-0.4 -0.786 17.6-166.6 -85.7 101.7 11.7 -15.5 15.7 100 104 A Q H > S+ 0 0 129 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.850 85.2 57.3 -64.2 -34.9 13.8 -13.7 13.1 101 105 A E H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 107.5 50.2 -60.8 -37.5 11.1 -11.1 12.3 102 106 A G H > S+ 0 0 0 -3,-0.4 4,-1.8 -13,-0.3 -2,-0.2 0.919 109.2 50.3 -63.8 -46.7 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 0.918 107.8 54.7 -56.6 -44.6 15.0 -9.8 16.0 104 108 A A H X S+ 0 0 43 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.883 103.9 55.8 -59.5 -39.3 14.6 -7.6 12.8 105 109 A Y H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.962 110.4 42.6 -57.6 -52.6 12.2 -5.2 14.6 106 110 A Y H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.896 113.0 53.5 -68.1 -35.6 14.6 -4.5 17.5 107 111 A N H X S+ 0 0 38 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.951 111.3 46.2 -56.1 -49.1 17.5 -4.2 15.1 108 112 A N H X S+ 0 0 81 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.865 114.5 47.7 -62.6 -42.6 15.6 -1.6 13.1 109 113 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.949 115.3 43.7 -61.3 -53.8 14.5 0.3 16.3 110 114 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.902 114.9 50.2 -59.9 -45.0 18.0 0.4 17.8 111 115 A N H X S+ 0 0 69 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.903 111.7 47.2 -64.3 -42.6 19.6 1.3 14.5 112 116 A Y H X S+ 0 0 24 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.910 110.2 53.5 -65.0 -43.1 17.1 4.2 13.9 113 117 A L H <>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 -2,-0.2 0.946 112.2 44.0 -52.3 -51.2 17.6 5.4 17.5 114 118 A L H ><5S+ 0 0 72 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.903 109.3 56.4 -64.4 -39.5 21.4 5.6 17.0 115 119 A Q H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.880 111.0 45.5 -57.6 -37.6 21.0 7.2 13.5 116 120 A K T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.274 120.3-109.7 -90.5 8.0 19.0 10.0 15.3 117 121 A G T < 5S+ 0 0 54 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.778 72.8 137.3 70.1 29.4 21.5 10.4 18.1 118 122 A I < - 0 0 2 -5,-3.2 -38,-0.3 -6,-0.2 -1,-0.2 -0.937 51.6-130.8-109.0 126.3 19.3 8.8 20.8 119 123 A T E -c 80 0A 54 -40,-2.8 -38,-2.7 -2,-0.5 2,-0.4 -0.641 18.1-133.6 -81.1 122.1 20.9 6.4 23.3 120 124 A P E -c 81 0A 2 0, 0.0 46,-0.5 0, 0.0 2,-0.5 -0.631 18.3-171.9 -74.6 126.0 19.1 3.1 23.7 121 125 A Y E -cd 82 166A 17 -40,-2.7 -38,-1.9 -2,-0.4 2,-0.6 -0.986 21.6-158.1-113.5 112.2 18.7 1.9 27.4 122 126 A V E -cd 83 167A 0 44,-2.7 46,-2.6 -2,-0.5 2,-0.4 -0.866 16.5-159.2-115.2 119.2 17.2 -1.6 27.0 123 127 A N E -cd 84 168A 0 -40,-2.6 -38,-2.5 -2,-0.6 46,-0.2 -0.741 5.5-159.1 -81.8 133.3 15.3 -3.6 29.5 124 128 A L S S+ 0 0 0 44,-2.5 2,-0.3 -2,-0.4 -37,-0.2 0.742 78.5 26.2 -79.3 -26.3 15.3 -7.3 28.9 125 129 A Y + 0 0 2 44,-1.3 -1,-0.2 43,-0.2 46,-0.2 -0.986 47.7 166.2-146.9 130.9 12.1 -7.9 31.0 126 130 A H S S- 0 0 4 -2,-0.3 -102,-0.3 -41,-0.2 44,-0.1 -0.562 80.4 -64.1-144.2 68.7 9.1 -5.8 31.9 127 131 A Y S S+ 0 0 13 44,-0.2 2,-1.1 1,-0.1 -88,-0.1 0.244 102.0 118.8 80.6 -12.4 6.4 -8.3 33.3 128 132 A D + 0 0 0 -89,-0.1 -40,-0.5 -90,-0.1 -41,-0.2 -0.297 37.7 174.7 -96.9 53.9 6.0 -10.1 30.0 129 133 A L - 0 0 0 -2,-1.1 -90,-2.5 1,-0.1 -89,-0.2 -0.303 44.8-100.6 -52.3 128.1 7.1 -13.7 30.8 130 134 A P B >> -I 38 0B 0 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.323 26.2-133.0 -51.6 129.4 6.5 -16.0 27.8 131 135 A L H 3> S+ 0 0 31 -94,-2.9 4,-2.3 1,-0.2 5,-0.2 0.863 104.9 61.6 -56.0 -36.0 3.3 -17.9 28.5 132 136 A A H 3> S+ 0 0 31 -95,-0.5 4,-2.4 -40,-0.4 -1,-0.2 0.875 103.7 48.5 -60.5 -36.1 5.1 -21.1 27.5 133 137 A L H <>>S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 6,-1.3 0.873 109.0 52.7 -70.9 -39.3 7.6 -20.7 30.3 134 138 A E H X5S+ 0 0 34 -4,-1.6 4,-1.3 4,-0.2 -2,-0.2 0.938 116.0 40.5 -55.9 -48.1 4.8 -20.0 32.9 135 139 A K H <5S+ 0 0 160 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 122.4 38.6 -71.6 -40.3 3.0 -23.3 31.8 136 140 A K H <5S+ 0 0 133 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.860 133.5 17.3 -82.6 -36.5 6.1 -25.5 31.5 137 141 A Y H <5S- 0 0 45 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.601 98.4-110.7-113.5 -17.5 8.3 -24.3 34.4 138 142 A G ><< - 0 0 25 -4,-1.3 3,-1.6 -5,-0.7 -4,-0.2 0.663 49.9-117.0 87.7 19.6 6.0 -22.4 36.8 139 143 A G G > S- 0 0 0 -6,-1.3 3,-2.4 1,-0.2 6,-0.3 -0.140 83.1 -0.9 51.1-135.3 7.7 -19.1 36.0 140 144 A W G 3 S+ 0 0 2 1,-0.3 70,-0.3 4,-0.1 -1,-0.2 0.507 120.9 72.6 -77.0 -5.0 9.5 -17.2 38.8 141 145 A L G < S+ 0 0 46 -3,-1.6 2,-0.5 69,-0.1 -1,-0.3 0.707 88.1 79.1 -68.7 -20.1 8.6 -19.9 41.4 142 146 A N S X S- 0 0 58 -3,-2.4 3,-2.2 -4,-0.2 4,-0.2 -0.802 72.1-150.1-100.5 121.7 11.2 -22.1 39.6 143 147 A A T > S+ 0 0 63 -2,-0.5 3,-2.1 1,-0.3 4,-0.4 0.740 92.2 80.1 -57.0 -23.4 14.9 -21.6 40.3 144 148 A K T >> S+ 0 0 90 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.717 71.0 82.8 -57.1 -20.6 15.4 -22.9 36.6 145 149 A M H <> S+ 0 0 0 -3,-2.2 4,-3.1 -6,-0.3 5,-0.3 0.791 78.9 64.8 -52.4 -34.3 14.5 -19.3 35.6 146 150 A A H <> S+ 0 0 16 -3,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.937 107.6 40.2 -56.5 -46.9 18.1 -18.2 36.2 147 151 A D H <> S+ 0 0 89 -3,-0.6 4,-2.4 -4,-0.4 -2,-0.2 0.925 117.5 48.4 -64.0 -47.3 19.3 -20.5 33.4 148 152 A L H X S+ 0 0 15 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.923 115.0 44.0 -64.6 -44.8 16.3 -19.7 31.1 149 153 A F H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.888 111.6 54.5 -65.1 -39.9 16.7 -15.9 31.6 150 154 A T H X S+ 0 0 5 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.908 107.9 48.9 -64.3 -39.9 20.5 -16.2 31.2 151 155 A E H X S+ 0 0 105 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.909 113.4 47.3 -65.8 -41.2 20.2 -17.9 27.8 152 156 A Y H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.946 114.2 47.1 -57.1 -50.0 17.7 -15.3 26.7 153 157 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.889 108.4 55.5 -61.9 -44.5 20.0 -12.5 27.9 154 158 A D H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.936 107.6 49.7 -53.0 -49.6 23.0 -14.1 26.3 155 159 A F H X S+ 0 0 29 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.911 111.6 47.9 -55.9 -46.0 21.2 -14.0 22.9 156 160 A C H X>S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.6 0.901 111.8 49.7 -65.0 -43.2 20.3 -10.4 23.3 157 161 A F H X5S+ 0 0 0 -4,-2.8 4,-1.6 3,-0.2 -2,-0.2 0.937 114.2 45.2 -57.2 -51.3 23.9 -9.5 24.3 158 162 A K H <5S+ 0 0 121 -4,-2.9 4,-0.2 -5,-0.2 -2,-0.2 0.933 120.7 39.3 -55.5 -46.7 25.3 -11.4 21.2 159 163 A T H <5S+ 0 0 35 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.832 134.6 12.5 -79.4 -35.7 22.7 -9.9 18.8 160 164 A F H >X5S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.2 3,-2.1 0.532 98.3 91.7-118.4 -14.7 22.4 -6.2 20.0 161 165 A G T 3<> - 0 0 20 65,-2.0 4,-1.6 -2,-0.5 3,-0.8 0.905 59.8-179.1 49.4 61.4 10.2 -3.7 39.5 173 177 A P H 3> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.806 81.5 65.4 -57.7 -27.1 10.6 -7.3 40.7 174 178 A R H 3> S+ 0 0 18 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.919 102.4 46.4 -58.1 -42.0 8.9 -6.1 44.0 175 179 A I H <>>S+ 0 0 27 -3,-0.8 4,-2.9 2,-0.2 5,-0.7 0.877 110.8 52.0 -70.0 -39.0 5.7 -5.4 42.0 176 180 A V H X5S+ 0 0 14 -4,-1.6 4,-1.8 2,-0.2 5,-0.5 0.957 114.9 42.6 -58.7 -47.5 5.8 -8.8 40.3 177 181 A A H X>S+ 0 0 0 -4,-2.6 4,-1.5 3,-0.2 5,-0.7 0.952 119.8 43.0 -65.4 -47.8 6.2 -10.4 43.7 178 182 A L H X>S+ 0 0 15 -4,-3.0 5,-3.3 3,-0.2 4,-1.0 0.940 126.2 27.9 -63.2 -53.3 3.6 -8.3 45.4 179 183 A L H <5S+ 0 0 34 -4,-2.9 7,-2.0 3,-0.2 6,-1.2 0.834 126.3 44.1 -85.7 -33.0 0.8 -8.2 42.7 180 184 A G H < S- 0 0 10 -7,-2.0 3,-2.5 4,-0.1 4,-0.4 -0.895 107.0 -40.0-119.1 162.4 -1.5 -9.3 38.3 187 191 A P T 3 S+ 0 0 12 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.275 127.1 33.4 -63.2 146.0 -0.5 -12.5 36.4 188 192 A P T 3 S- 0 0 26 0, 0.0 -8,-0.1 0, 0.0 -7,-0.1 -0.930 90.6-145.6 -83.5 15.6 -0.1 -15.4 37.4 189 193 A K < + 0 0 83 -3,-2.5 7,-0.6 1,-0.2 2,-0.4 0.909 38.0 161.0 62.1 46.6 -2.8 -14.3 39.9 190 194 A R + 0 0 56 -10,-2.5 -6,-0.3 -4,-0.4 2,-0.3 -0.809 3.5 127.6-103.6 140.5 -1.4 -16.3 42.8 191 195 A a > - 0 0 4 6,-1.8 3,-0.7 -2,-0.4 6,-0.1 -0.939 70.0 -83.9-174.8 170.5 -2.2 -15.7 46.5 192 196 A T T 3 S+ 0 0 88 -10,-0.4 6,-0.1 -2,-0.3 -1,-0.1 0.916 129.0 33.7 -58.6 -43.3 -3.5 -17.7 49.5 193 197 A K T 3 S+ 0 0 201 -3,-0.1 -1,-0.2 4,-0.1 5,-0.1 0.598 95.4 123.4 -85.8 -5.5 -7.1 -17.4 48.6 194 198 A a X - 0 0 29 -3,-0.7 3,-1.8 3,-0.2 -3,-0.1 -0.181 64.9-133.4 -75.5 145.7 -6.7 -17.4 44.8 195 199 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -5,-0.1 3,-0.1 0.849 108.5 55.9 -57.7 -35.3 -8.2 -19.8 42.2 196 200 A A T 3 S- 0 0 57 -7,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.558 115.1-116.9 -73.7 -5.4 -4.8 -20.4 40.6 197 201 A G < + 0 0 27 -3,-1.8 -6,-1.8 -8,-0.2 -1,-0.3 -0.485 52.8 133.8 96.9 178.3 -3.3 -21.5 43.9 198 202 A G - 0 0 25 -8,-0.3 2,-0.2 -2,-0.2 -16,-0.1 -0.655 46.4-112.0 130.9-175.3 -0.5 -19.8 45.9 199 203 A N >> - 0 0 65 -18,-0.4 4,-2.5 -2,-0.2 3,-1.2 -0.779 11.3-158.3-161.2 104.9 0.6 -18.7 49.3 200 204 A S T 34 S+ 0 0 11 -2,-0.2 129,-1.8 1,-0.2 130,-0.2 0.663 92.1 55.5 -63.6 -20.5 1.0 -14.9 50.0 201 205 A A T 34 S+ 0 0 6 127,-0.3 -1,-0.2 126,-0.2 127,-0.2 0.645 123.1 17.9 -84.8 -19.2 3.4 -15.6 52.9 202 206 A T T X> S+ 0 0 40 -3,-1.2 4,-1.7 -21,-0.2 3,-0.6 0.720 111.1 64.9-122.1 -44.1 6.0 -17.6 51.0 203 207 A E H 3X S+ 0 0 21 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.873 95.6 58.1 -64.3 -40.3 5.7 -17.2 47.3 204 208 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.887 110.0 46.4 -54.1 -38.6 6.7 -13.5 47.1 205 209 A Y H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.865 111.1 50.7 -70.8 -39.1 10.0 -14.3 48.8 206 210 A I H X S+ 0 0 62 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.937 112.7 47.9 -61.3 -47.3 10.7 -17.2 46.5 207 211 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.919 111.1 48.9 -60.4 -49.0 10.0 -15.0 43.4 208 212 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.876 110.7 51.7 -59.3 -39.0 12.2 -12.1 44.6 209 213 A H H X S+ 0 0 15 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.915 109.3 49.6 -65.8 -46.9 15.0 -14.6 45.3 210 214 A N H X S+ 0 0 10 -4,-2.3 4,-2.3 -70,-0.3 -2,-0.2 0.866 109.5 51.7 -62.1 -34.2 14.7 -16.1 41.8 211 215 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.925 112.1 46.9 -65.5 -42.6 14.8 -12.5 40.3 212 216 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.929 114.5 46.1 -65.2 -44.1 18.0 -11.7 42.2 213 217 A L H X S+ 0 0 27 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.882 114.4 48.3 -66.4 -38.6 19.6 -15.1 41.3 214 218 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 110.7 50.7 -66.3 -44.8 18.6 -14.7 37.6 215 219 A H H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.942 112.4 47.6 -52.8 -53.4 19.9 -11.1 37.5 216 220 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.871 111.9 49.4 -59.8 -40.8 23.2 -12.2 38.9 217 221 A A H X S+ 0 0 26 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.894 111.9 47.7 -68.0 -39.8 23.5 -15.1 36.5 218 222 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 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