==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAR-13 4JIE . COMPND 2 MOLECULE: BETA-MANNOSIDASE/BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA INDICA GROUP; . AUTHOR A.TANKRATHOK,S.LUANG,R.C.ROBINSON,A.KIMURA,M.HRMOVA,J.R.KETU . 484 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.3 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 . 2 0.4 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 5 0 1 3 0 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 1 1 5 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 . 3 2 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 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 -5 A A 0 0 143 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.1 32.8 3.2 -5.2 2 -4 A A - 0 0 25 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.263 360.0 -65.9 -92.1 176.6 31.3 6.6 -5.9 3 -3 A A > - 0 0 49 1,-0.1 3,-1.6 -2,-0.1 4,-0.3 -0.168 53.6-104.2 -59.4 155.9 32.5 9.7 -7.9 4 -2 A P G > S+ 0 0 116 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.838 115.4 67.9 -54.6 -37.6 35.6 11.5 -6.6 5 -1 A F G > S+ 0 0 104 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 0.740 84.2 73.5 -59.6 -24.2 33.6 14.5 -5.2 6 0 A T G < S+ 0 0 16 -3,-1.6 -1,-0.3 1,-0.2 -3,-0.1 0.811 97.1 50.1 -49.5 -34.0 32.1 12.1 -2.6 7 1 A Y G < S+ 0 0 144 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.288 74.6 125.6-102.8 5.9 35.5 12.2 -0.8 8 2 A W < - 0 0 118 -3,-1.3 2,-0.8 -4,-0.2 -3,-0.0 -0.443 64.9-124.0 -57.4 135.6 36.1 15.9 -0.6 9 3 A L - 0 0 108 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.831 19.9-143.5 -93.2 107.1 36.8 16.9 3.0 10 4 A N > - 0 0 3 -2,-0.8 3,-1.5 1,-0.1 4,-0.3 -0.565 1.0-151.7 -71.5 116.4 34.3 19.5 4.0 11 5 A P G > S+ 0 0 90 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.717 89.9 74.4 -67.4 -16.0 36.0 22.0 6.4 12 6 A E G > S+ 0 0 47 1,-0.2 3,-1.1 2,-0.2 -2,-0.0 0.776 81.3 73.4 -62.6 -26.9 32.6 22.8 8.0 13 7 A I G < S+ 0 0 4 -3,-1.5 -1,-0.2 1,-0.2 469,-0.1 0.815 97.0 47.6 -52.7 -34.9 32.9 19.3 9.7 14 8 A Y G < S+ 0 0 135 -3,-1.2 2,-1.2 -4,-0.3 -1,-0.2 0.538 87.4 91.2 -94.3 -5.6 35.6 20.7 12.0 15 9 A D < + 0 0 76 -3,-1.1 -1,-0.1 -4,-0.4 467,-0.1 -0.737 45.2 169.4 -88.4 95.3 33.8 23.9 13.0 16 10 A A > - 0 0 16 -2,-1.2 3,-1.5 465,-0.1 -1,-0.2 0.451 43.8-128.4 -85.7 0.6 32.0 22.7 16.2 17 11 A G T 3 - 0 0 43 1,-0.3 -2,-0.1 -3,-0.1 -1,-0.0 0.681 68.7 -54.1 61.3 20.8 31.1 26.3 17.0 18 12 A G T 3 S+ 0 0 74 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.467 105.0 133.0 95.9 4.6 32.4 26.0 20.6 19 13 A L < + 0 0 9 -3,-1.5 -1,-0.3 3,-0.1 2,-0.3 -0.663 15.3 135.7 -95.5 143.0 30.3 22.9 21.4 20 14 A S S > S- 0 0 41 -2,-0.3 3,-0.9 463,-0.1 463,-0.2 -0.904 70.1 -83.0-159.7-178.1 31.5 19.7 23.1 21 15 A R G > S+ 0 0 55 461,-0.4 3,-1.6 -2,-0.3 7,-0.2 0.831 125.7 64.6 -62.3 -31.6 30.2 17.3 25.8 22 16 A R G 3 S+ 0 0 214 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.713 91.6 62.4 -63.6 -25.0 31.9 19.8 28.3 23 17 A A G < S+ 0 0 20 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.492 104.2 62.3 -78.1 -0.5 29.4 22.5 27.2 24 18 A F S < S- 0 0 15 -3,-1.6 3,-0.1 1,-0.1 4,-0.1 -0.853 97.7 -79.1-126.3 156.8 26.6 20.2 28.6 25 19 A P > - 0 0 56 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.050 62.5 -81.2 -48.3 151.5 25.5 18.7 31.9 26 20 A E T 3 S+ 0 0 206 1,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 -0.328 117.4 11.1 -53.3 131.0 27.3 15.7 33.3 27 21 A G T 3 S+ 0 0 72 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.744 84.2 169.6 68.5 25.8 25.9 12.5 31.6 28 22 A F < - 0 0 13 -3,-1.6 2,-0.4 -7,-0.2 410,-0.2 -0.549 31.0-128.7 -71.7 130.4 24.0 14.4 29.0 29 23 A V E -a 438 0A 15 408,-2.3 410,-2.5 -2,-0.3 2,-0.5 -0.686 21.1-168.5 -90.0 127.2 22.7 11.9 26.4 30 24 A F E +a 439 0A 0 -2,-0.4 62,-2.8 408,-0.2 63,-1.2 -0.974 26.6 149.4-112.0 126.8 23.3 12.5 22.7 31 25 A G E -ab 440 93A 1 408,-3.0 410,-2.4 -2,-0.5 2,-0.3 -0.790 40.7-120.6-141.4 179.1 21.3 10.2 20.4 32 26 A T E -ab 441 94A 0 61,-1.4 63,-2.6 408,-0.3 2,-0.4 -0.934 25.7-143.5-122.4 157.3 19.5 9.6 17.1 33 27 A A E + b 0 95A 0 408,-2.5 410,-0.5 -2,-0.3 411,-0.4 -0.954 23.5 157.8-124.6 139.3 15.9 8.7 16.6 34 28 A A - 0 0 3 61,-2.9 2,-0.3 -2,-0.4 3,-0.1 -0.740 26.7-128.0-134.5-172.3 14.0 6.4 14.1 35 29 A S > - 0 0 1 -2,-0.2 4,-1.6 61,-0.1 5,-0.4 -0.995 22.3-116.6-142.7 150.2 10.7 4.6 13.9 36 30 A A H >> S+ 0 0 2 -2,-0.3 4,-2.7 1,-0.2 3,-0.6 0.910 112.2 40.7 -44.8 -59.1 9.7 1.0 13.1 37 31 A Y H 34 S+ 0 0 8 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.838 113.4 53.8 -68.1 -33.1 7.7 1.6 9.9 38 32 A Q H 34 S+ 0 0 1 -3,-0.1 410,-1.7 1,-0.1 35,-0.4 0.754 127.8 12.9 -74.4 -25.2 10.1 4.2 8.5 39 33 A V H << S+ 0 0 2 -4,-1.6 36,-2.9 -3,-0.6 37,-0.3 0.693 109.6 70.0-124.5 -29.7 13.3 2.0 8.8 40 34 A E < - 0 0 6 -4,-2.7 36,-2.3 -5,-0.4 37,-0.3 0.896 63.8-172.2 -62.0 -46.7 12.5 -1.8 9.5 41 35 A G + 0 0 3 -5,-0.4 30,-0.3 -4,-0.3 -1,-0.1 -0.455 51.5 103.4 70.4-157.7 11.0 -3.0 6.3 42 36 A M > + 0 0 24 28,-1.5 3,-1.1 -2,-0.1 6,-0.3 0.854 43.5 156.3 51.6 38.3 9.6 -6.5 6.4 43 37 A A T 3 S+ 0 0 5 27,-1.0 27,-0.1 1,-0.3 -1,-0.1 0.856 74.4 32.1 -62.6 -38.9 6.2 -4.9 6.6 44 38 A K T 3 S+ 0 0 98 26,-0.2 -1,-0.3 6,-0.1 2,-0.2 0.129 120.1 60.5-104.9 17.6 4.4 -8.0 5.2 45 39 A Q X + 0 0 120 -3,-1.1 3,-1.4 1,-0.1 -4,-0.0 -0.798 68.0 56.6-138.5 179.6 6.7 -10.5 6.7 46 40 A G T 3 S- 0 0 8 1,-0.3 -1,-0.1 -2,-0.2 72,-0.1 0.730 125.0 -66.7 66.0 22.5 8.2 -12.0 9.9 47 41 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.450 89.7 157.7 79.3 2.9 4.6 -12.6 11.0 48 42 A R < - 0 0 16 -3,-1.4 -1,-0.3 -6,-0.3 54,-0.3 -0.412 34.9-139.8 -62.3 125.5 3.8 -8.9 11.2 49 43 A G - 0 0 8 52,-2.4 2,-0.1 -2,-0.2 57,-0.1 -0.420 35.4 -86.4 -77.8 161.5 0.1 -8.2 10.9 50 44 A P - 0 0 66 0, 0.0 94,-3.2 0, 0.0 95,-0.5 -0.423 37.9-150.4 -78.5 149.3 -0.9 -5.1 8.9 51 45 A S B >> -I 143 0B 0 92,-0.3 4,-1.1 93,-0.1 3,-0.7 -0.550 36.2 -96.4-103.8 174.1 -1.1 -1.6 10.3 52 46 A I H 3> S+ 0 0 7 90,-2.5 4,-2.3 1,-0.2 5,-0.1 0.805 124.1 59.0 -59.5 -30.0 -3.4 1.3 9.2 53 47 A W H 3> S+ 0 0 2 89,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.804 97.7 59.2 -72.2 -28.5 -0.5 2.6 7.1 54 48 A D H <> S+ 0 0 2 -3,-0.7 4,-0.5 2,-0.2 -1,-0.2 0.898 112.4 38.3 -66.9 -39.9 -0.4 -0.6 5.1 55 49 A A H >< S+ 0 0 39 -4,-1.1 3,-0.7 2,-0.2 4,-0.4 0.885 115.5 53.8 -74.8 -39.4 -4.0 -0.2 4.0 56 50 A F H >< S+ 0 0 36 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.865 103.2 57.2 -60.7 -39.0 -3.6 3.6 3.5 57 51 A I H 3< S+ 0 0 17 -4,-2.3 6,-0.3 1,-0.2 -1,-0.2 0.764 92.8 71.9 -63.6 -26.6 -0.6 3.0 1.2 58 52 A E T << S+ 0 0 137 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.701 71.8 93.3 -68.3 -25.8 -2.7 0.9 -1.1 59 53 A K S X S- 0 0 100 -3,-1.0 3,-1.3 -4,-0.4 4,-0.4 -0.599 86.9-119.1 -65.1 124.9 -4.8 3.9 -2.5 60 54 A P T 3 S+ 0 0 101 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.408 95.7 29.8 -69.4 145.8 -2.9 4.9 -5.6 61 55 A G T 3 S+ 0 0 64 2,-0.4 -3,-0.1 -4,-0.1 -4,-0.0 0.301 90.3 104.7 87.7 -7.6 -1.5 8.5 -5.6 62 56 A T S < S+ 0 0 10 -3,-1.3 -5,-0.1 -5,-0.2 -4,-0.1 0.959 83.0 34.2 -71.7 -54.0 -1.1 8.5 -1.8 63 57 A I S > S- 0 0 3 -4,-0.4 3,-2.1 -6,-0.3 -2,-0.4 -0.839 103.8 -98.1 -96.1 139.9 2.7 8.1 -1.7 64 58 A P G > S+ 0 0 44 0, 0.0 3,-1.3 0, 0.0 390,-0.3 -0.357 110.4 4.7 -54.7 135.0 4.8 9.8 -4.5 65 59 A N G 3 S- 0 0 152 1,-0.2 -3,-0.0 388,-0.1 388,-0.0 0.675 121.5 -85.0 56.8 22.6 5.6 7.3 -7.3 66 60 A N G < S+ 0 0 98 -3,-2.1 -1,-0.2 1,-0.2 2,-0.2 0.883 75.4 174.6 46.1 47.0 3.5 4.8 -5.3 67 61 A A < - 0 0 21 -3,-1.3 2,-0.2 2,-0.0 -1,-0.2 -0.497 12.6-159.6 -78.1 147.7 6.4 3.9 -3.1 68 62 A T - 0 0 54 -2,-0.2 4,-0.4 4,-0.0 3,-0.2 -0.766 25.8-130.7-121.3 173.7 6.0 1.6 -0.1 69 63 A A S S+ 0 0 0 -2,-0.2 -28,-0.3 1,-0.2 -26,-0.2 -0.067 70.9 117.0-111.2 29.1 7.9 0.9 3.1 70 64 A D S S+ 0 0 55 -28,-0.1 -28,-1.5 -29,-0.1 -27,-1.0 0.859 102.1 2.4 -63.0 -34.6 7.8 -2.9 2.6 71 65 A V S > S+ 0 0 80 -30,-0.3 3,-2.5 -3,-0.2 4,-0.2 0.689 85.6 155.8-116.2 -42.5 11.6 -2.7 2.4 72 66 A T T 3 S- 0 0 8 -4,-0.4 -33,-0.1 1,-0.3 -34,-0.1 -0.196 85.1 -23.9 40.5-128.3 12.6 0.9 3.0 73 67 A V T 3 S- 0 0 0 -35,-0.4 -1,-0.3 -4,-0.1 -33,-0.1 0.349 87.3-127.4 -92.9 6.0 16.2 0.9 4.4 74 68 A D X> + 0 0 18 -3,-2.5 4,-1.9 1,-0.1 3,-0.7 0.873 45.8 163.1 57.1 50.3 15.8 -2.7 5.7 75 69 A E H 3> + 0 0 6 -36,-2.9 4,-1.1 1,-0.2 -35,-0.2 0.770 65.8 77.1 -70.0 -22.3 16.9 -2.2 9.3 76 70 A Y H 34 S+ 0 0 10 -36,-2.3 -1,-0.2 -37,-0.3 3,-0.1 0.910 113.7 19.8 -49.1 -45.1 15.3 -5.6 10.0 77 71 A H H <4 S+ 0 0 116 -3,-0.7 3,-0.3 -37,-0.3 -2,-0.2 0.711 129.2 48.7 -97.8 -25.9 18.4 -7.3 8.4 78 72 A R H X + 0 0 80 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.173 69.9 116.2-103.7 16.5 20.9 -4.4 8.6 79 73 A Y H X S+ 0 0 20 -4,-1.1 4,-2.5 1,-0.2 5,-0.2 0.799 73.0 57.1 -57.8 -33.7 20.5 -3.4 12.2 80 74 A K H > S+ 0 0 103 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.931 107.3 47.7 -63.6 -46.4 24.1 -4.4 13.2 81 75 A E H > S+ 0 0 76 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.915 112.6 49.3 -57.9 -44.9 25.6 -2.1 10.5 82 76 A D H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.915 111.2 48.1 -65.4 -45.6 23.3 0.8 11.7 83 77 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.935 110.1 53.7 -58.1 -47.0 24.3 0.3 15.4 84 78 A N H X S+ 0 0 51 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.859 108.3 49.1 -55.9 -41.1 28.0 0.2 14.4 85 79 A I H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.950 110.4 51.3 -62.4 -50.4 27.6 3.5 12.5 86 80 A M H <>S+ 0 0 1 -4,-2.3 5,-1.6 2,-0.2 4,-0.3 0.898 113.8 44.1 -48.6 -51.0 25.9 5.0 15.6 87 81 A K H ><5S+ 0 0 102 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.936 111.9 52.2 -63.3 -48.0 28.7 3.8 17.9 88 82 A N H 3<5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.780 106.6 54.3 -61.7 -28.6 31.4 5.0 15.4 89 83 A M T 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.1 394,-0.2 0.472 119.6-110.1 -83.9 -3.1 29.9 8.5 15.3 90 84 A G T < 5 + 0 0 28 -3,-1.7 -3,-0.2 -4,-0.3 -60,-0.1 0.412 61.7 154.6 94.7 -0.3 30.1 8.7 19.1 91 85 A F < - 0 0 8 -5,-1.6 -1,-0.2 1,-0.1 -60,-0.2 -0.248 33.2-158.1 -63.6 147.9 26.3 8.6 20.0 92 86 A D + 0 0 43 -62,-2.8 40,-2.8 1,-0.2 2,-0.3 0.693 68.3 22.1 -95.6 -25.9 25.3 7.3 23.4 93 87 A A E -bc 31 132A 0 -63,-1.2 -61,-1.4 38,-0.3 2,-0.4 -0.949 52.9-148.5-149.7 157.4 21.7 6.3 22.6 94 88 A Y E -bc 32 133A 2 38,-2.4 40,-2.4 -2,-0.3 2,-0.7 -0.962 10.1-156.1-134.6 115.7 19.2 5.2 20.0 95 89 A R E +bc 33 134A 1 -63,-2.6 -61,-2.9 -2,-0.4 2,-0.3 -0.846 30.2 160.2 -90.1 114.9 15.4 6.0 20.2 96 90 A F E - c 0 135A 5 38,-2.1 40,-3.0 -2,-0.7 2,-0.4 -0.764 30.9-123.9-122.9 170.7 13.6 3.4 18.2 97 91 A S E - c 0 136A 1 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.927 11.0-131.0-122.7 149.9 10.0 2.2 18.2 98 92 A I - 0 0 0 38,-2.4 2,-0.8 -2,-0.4 41,-0.2 -0.802 26.2-124.3 -92.1 132.5 8.4 -1.1 18.6 99 93 A S >> - 0 0 1 -2,-0.4 4,-1.2 1,-0.2 3,-1.2 -0.704 14.2-155.5 -80.2 111.4 5.8 -2.1 15.9 100 94 A W H >> S+ 0 0 0 -2,-0.8 4,-3.1 1,-0.3 3,-0.9 0.930 95.4 48.0 -48.9 -51.1 2.5 -2.9 17.8 101 95 A S H 34 S+ 0 0 0 40,-0.6 -52,-2.4 1,-0.3 -1,-0.3 0.607 103.6 61.5 -74.0 -10.5 1.3 -5.1 14.9 102 96 A R H <4 S+ 0 0 2 -3,-1.2 13,-0.4 -54,-0.3 -1,-0.3 0.767 115.8 32.9 -77.7 -29.5 4.7 -6.9 14.7 103 97 A I H << S+ 0 0 0 -4,-1.2 9,-2.8 -3,-0.9 -2,-0.2 0.858 135.9 25.0 -89.8 -47.3 4.2 -8.2 18.3 104 98 A F >< - 0 0 18 -4,-3.1 3,-2.9 7,-0.2 -1,-0.3 -0.848 69.0-168.9-120.1 90.2 0.4 -8.5 18.2 105 99 A P T 3 S+ 0 0 26 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.793 94.0 37.3 -48.4 -33.6 -0.7 -9.1 14.5 106 100 A N T 3 S- 0 0 92 4,-0.4 2,-0.5 2,-0.3 -5,-0.1 0.223 115.6-113.3-102.0 10.6 -4.3 -8.5 15.5 107 101 A G S < S+ 0 0 2 -3,-2.9 2,-0.3 -7,-0.2 58,-0.1 -0.096 96.4 37.5 82.8 -37.5 -3.5 -5.8 18.1 108 102 A T S S+ 0 0 66 -2,-0.5 2,-0.6 56,-0.0 -2,-0.3 -0.947 103.3 20.8-136.6 158.0 -4.7 -8.1 21.0 109 103 A G S S+ 0 0 60 -2,-0.3 -2,-0.0 -4,-0.1 2,-0.0 -0.767 94.2 52.5 98.2-118.5 -4.4 -11.8 21.7 110 104 A M S S- 0 0 157 -2,-0.6 -4,-0.4 1,-0.1 2,-0.3 -0.316 71.1-134.5 -69.3 140.5 -1.8 -14.0 20.1 111 105 A V - 0 0 51 -7,-0.1 2,-1.0 -6,-0.1 -7,-0.2 -0.728 8.4-134.2 -92.3 138.3 1.9 -13.0 20.2 112 106 A N >> - 0 0 21 -9,-2.8 4,-1.7 -2,-0.3 3,-1.2 -0.824 18.4-168.0 -92.4 92.7 4.1 -13.1 17.2 113 107 A Q H 3> S+ 0 0 112 -2,-1.0 4,-2.4 1,-0.3 -1,-0.2 0.775 83.9 61.0 -51.8 -30.8 7.2 -14.8 18.7 114 108 A E H 3> S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.838 104.8 47.4 -69.0 -35.4 9.2 -13.9 15.5 115 109 A G H <> S+ 0 0 0 -3,-1.2 4,-1.8 -13,-0.4 -2,-0.2 0.883 110.0 52.7 -68.2 -41.2 8.6 -10.2 16.1 116 110 A V H X S+ 0 0 4 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.937 107.3 53.3 -60.3 -47.2 9.6 -10.6 19.8 117 111 A D H X S+ 0 0 67 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.873 105.2 54.2 -53.8 -45.3 12.8 -12.2 18.7 118 112 A Y H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.956 109.8 45.0 -56.5 -55.5 13.7 -9.4 16.3 119 113 A Y H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.834 112.7 53.1 -60.0 -34.0 13.5 -6.7 19.1 120 114 A N H X S+ 0 0 35 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.926 110.2 46.8 -64.6 -45.1 15.4 -8.9 21.4 121 115 A R H X S+ 0 0 94 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.947 115.4 47.2 -57.3 -49.2 18.2 -9.3 18.8 122 116 A L H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.932 116.3 41.8 -59.1 -52.4 18.1 -5.5 18.2 123 117 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.927 113.3 53.0 -65.0 -46.5 18.2 -4.5 21.9 124 118 A D H X S+ 0 0 83 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.873 110.3 49.2 -54.4 -39.6 20.8 -7.2 22.8 125 119 A Y H X S+ 0 0 22 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.882 109.3 50.1 -71.3 -39.4 23.1 -5.9 20.1 126 120 A M H <>S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 4,-0.4 0.894 112.5 48.0 -62.5 -42.1 22.8 -2.2 21.2 127 121 A V H ><5S+ 0 0 74 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.894 107.8 55.7 -65.4 -41.7 23.6 -3.2 24.8 128 122 A K H 3<5S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.869 114.2 40.9 -55.3 -38.5 26.5 -5.3 23.5 129 123 A K T 3<5S- 0 0 65 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.383 117.4-108.6 -95.9 1.2 27.8 -2.1 21.8 130 124 A G T < 5S+ 0 0 58 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.720 70.4 139.6 78.3 21.5 27.1 0.4 24.6 131 125 A I < - 0 0 3 -5,-3.0 -38,-0.3 -6,-0.2 -1,-0.3 -0.890 52.2-129.3 -94.5 121.2 24.2 2.2 22.9 132 126 A K E -c 93 0A 83 -40,-2.8 -38,-2.4 -2,-0.6 2,-0.5 -0.547 20.9-130.1 -69.7 126.6 21.3 2.9 25.4 133 127 A P E -c 94 0A 10 0, 0.0 2,-0.6 0, 0.0 46,-0.5 -0.681 21.6-173.3 -81.7 125.3 17.9 1.8 24.1 134 128 A Y E -cd 95 179A 3 -40,-2.4 -38,-2.1 -2,-0.5 2,-0.6 -0.960 16.1-157.0-112.5 108.8 15.0 4.3 24.2 135 129 A A E -cd 96 180A 0 44,-2.1 46,-2.7 -2,-0.6 2,-0.4 -0.784 9.8-164.3 -96.7 120.1 11.9 2.4 23.2 136 130 A N E -cd 97 181A 0 -40,-3.0 -38,-2.4 -2,-0.6 46,-0.2 -0.839 7.7-156.1 -92.8 136.5 8.9 4.3 21.9 137 131 A L E S+ 0 0 0 44,-2.2 2,-0.4 -2,-0.4 -37,-0.3 0.767 73.2 30.1 -88.2 -28.5 5.8 2.1 21.9 138 132 A Y E + d 0 183A 2 44,-0.5 46,-2.1 43,-0.2 -1,-0.2 -0.971 49.6 167.5-140.2 124.0 3.7 3.8 19.2 139 133 A H S S- 0 0 3 -2,-0.4 -102,-0.3 -41,-0.2 46,-0.1 -0.621 78.3 -63.9-133.9 76.3 4.8 5.6 16.0 140 134 A Y S S+ 0 0 17 44,-0.3 2,-0.5 -2,-0.2 -87,-0.2 0.480 103.6 117.7 62.4 9.9 1.7 6.1 13.8 141 135 A D + 0 0 0 -89,-0.1 -40,-0.6 -90,-0.1 -41,-0.2 -0.385 35.6 172.5-114.3 59.5 1.3 2.3 13.3 142 136 A L - 0 0 0 -2,-0.5 -90,-2.5 1,-0.1 -89,-0.2 -0.403 44.1-104.2 -59.4 129.3 -2.0 1.1 14.8 143 137 A P B >> -I 51 0B 0 0, 0.0 4,-0.9 0, 0.0 3,-0.6 -0.348 25.5-132.1 -52.5 134.1 -2.8 -2.5 14.0 144 138 A L H >> S+ 0 0 27 -94,-3.2 4,-2.4 1,-0.2 3,-0.7 0.867 101.2 66.2 -62.1 -38.7 -5.4 -2.7 11.2 145 139 A A H 3> S+ 0 0 15 -95,-0.5 4,-2.2 -40,-0.4 -1,-0.2 0.873 100.8 50.1 -49.1 -44.7 -7.6 -5.2 13.1 146 140 A L H <> S+ 0 0 0 -3,-0.6 6,-1.8 1,-0.2 4,-1.7 0.797 109.1 50.9 -67.6 -32.6 -8.3 -2.6 15.8 147 141 A H H < - 0 0 67 -4,-1.6 3,-2.3 -5,-0.1 -4,-0.3 0.848 57.0-117.7 62.1 36.6 -12.3 2.5 14.5 152 146 A G G > S+ 0 0 0 -6,-1.8 3,-1.7 1,-0.3 6,-0.4 -0.058 95.1 21.3 50.1-114.0 -9.1 2.4 16.7 153 147 A W G 3 S+ 0 0 1 1,-0.3 70,-0.3 5,-0.1 -1,-0.3 0.630 114.8 70.1 -66.8 -13.0 -8.4 5.7 18.5 154 148 A L G < S+ 0 0 21 -3,-2.3 -1,-0.3 69,-0.1 -2,-0.2 0.514 91.9 68.9 -84.2 -2.3 -12.1 6.7 18.3 155 149 A S S X S- 0 0 14 -3,-1.7 3,-1.7 -4,-0.1 4,-0.3 -0.935 77.5-133.7-119.4 140.2 -13.3 4.0 20.8 156 150 A P T > S+ 0 0 89 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.639 100.4 77.6 -60.9 -13.3 -12.7 3.7 24.5 157 151 A N T >> S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.778 79.3 69.4 -64.6 -29.1 -11.8 0.0 23.8 158 152 A I H <> S+ 0 0 0 -3,-1.7 4,-2.7 -6,-0.4 5,-0.2 0.786 85.3 70.7 -59.5 -29.1 -8.4 1.1 22.6 159 153 A V H <> S+ 0 0 16 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.2 0.897 104.5 35.6 -61.1 -46.9 -7.3 2.1 26.1 160 154 A E H <> S+ 0 0 112 -3,-0.5 4,-2.1 -4,-0.5 -1,-0.2 0.823 115.0 57.9 -78.3 -29.5 -7.0 -1.5 27.5 161 155 A A H X S+ 0 0 8 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.922 112.2 40.9 -61.3 -46.7 -5.8 -2.9 24.2 162 156 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.925 112.3 54.0 -67.7 -47.4 -2.8 -0.5 24.3 163 157 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.857 109.0 49.5 -57.1 -40.5 -2.2 -0.8 28.1 164 158 A D H X S+ 0 0 84 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.835 111.5 49.1 -66.8 -36.3 -1.9 -4.6 27.7 165 159 A Y H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.933 113.1 46.3 -69.3 -47.0 0.5 -4.2 24.8 166 160 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.943 111.4 53.5 -53.5 -53.0 2.6 -1.7 26.8 167 161 A D H X S+ 0 0 17 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.909 107.8 49.6 -48.2 -52.4 2.4 -4.2 29.7 168 162 A F H X S+ 0 0 49 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.927 110.8 50.5 -56.2 -46.7 3.7 -7.0 27.6 169 163 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.5 0.891 110.0 49.0 -61.0 -43.4 6.6 -4.8 26.3 170 164 A F H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.937 113.9 47.3 -59.0 -45.9 7.7 -3.8 29.8 171 165 A Q H < S+ 0 0 120 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.906 120.5 36.8 -61.4 -43.8 7.6 -7.5 30.9 172 166 A T H < S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.769 132.7 18.6 -82.6 -32.7 9.6 -8.7 27.9 173 167 A F H >X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 3,-1.5 0.517 95.1 92.7-121.4 -11.5 12.1 -5.9 27.2 174 168 A G T 3< + 0 0 0 -4,-1.7 -3,-0.1 -5,-0.5 -4,-0.1 0.508 68.6 76.4 -74.2 -8.7 12.3 -3.9 30.4 175 169 A D T 34 S+ 0 0 97 -4,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.778 119.7 14.1 -69.8 -26.6 15.2 -5.9 31.9 176 170 A R T <4 S+ 0 0 46 -3,-1.5 2,-0.8 1,-0.1 -2,-0.2 0.648 113.4 78.0-121.1 -21.7 17.4 -4.0 29.5 177 171 A V < + 0 0 0 -4,-2.6 -1,-0.1 1,-0.1 68,-0.1 -0.787 47.9 167.9 -84.0 114.4 15.3 -1.1 28.2 178 172 A K + 0 0 71 -2,-0.8 68,-1.7 -45,-0.5 2,-0.4 0.262 59.1 65.1-107.2 10.5 15.3 1.5 31.0 179 173 A D E +de 134 246A 5 -46,-0.5 -44,-2.1 66,-0.2 2,-0.4 -0.925 63.8 179.4-143.0 112.0 13.8 4.4 29.0 180 174 A W E -de 135 247A 0 66,-2.7 68,-2.5 -2,-0.4 2,-0.4 -0.870 16.6-170.3-119.9 142.8 10.2 4.3 27.6 181 175 A F E -de 136 248A 2 -46,-2.7 -44,-2.2 -2,-0.4 68,-0.2 -0.995 10.7-158.3-124.0 139.9 7.9 6.5 25.6 182 176 A T E S+ 0 0 0 66,-2.0 -44,-0.5 -2,-0.4 2,-0.3 0.951 73.4 8.8 -76.2 -51.7 4.3 5.7 25.2 183 177 A F E -d 138 0A 0 65,-0.2 67,-2.2 -46,-0.2 2,-0.6 -0.956 57.3-136.8-134.5 145.7 3.6 7.7 22.0 184 178 A N E S- e 0 250A 0 -46,-2.1 -44,-0.3 -2,-0.3 5,-0.2 -0.940 87.4 -24.3 -95.2 118.5 5.4 9.7 19.4 185 179 A E >> - 0 0 16 65,-1.6 4,-1.9 -2,-0.6 3,-1.1 0.901 62.7-175.9 54.2 62.5 3.5 13.0 18.6 186 180 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.828 81.9 65.8 -61.8 -26.9 -0.1 12.1 19.7 187 181 A R H 3> S+ 0 0 33 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.887 104.8 44.1 -56.4 -41.1 -1.1 15.5 18.4 188 182 A C H <>>S+ 0 0 8 -3,-1.1 4,-2.1 2,-0.2 5,-1.1 0.896 108.3 56.1 -72.0 -43.2 -0.2 14.3 14.9 189 183 A V H X5S+ 0 0 13 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.947 119.1 35.5 -48.3 -49.2 -1.9 11.0 15.4 190 184 A A H X5S+ 0 0 0 -4,-2.7 4,-1.6 3,-0.2 5,-0.4 0.962 124.9 37.7 -73.2 -54.4 -5.1 13.0 16.2 191 185 A A H X>S+ 0 0 4 -4,-3.6 5,-1.8 -5,-0.2 4,-1.7 0.928 124.8 35.1 -69.6 -46.8 -4.7 16.0 13.9 192 186 A L H <5S+ 0 0 34 -4,-2.1 7,-1.8 -5,-0.3 6,-0.3 0.848 122.7 46.0 -78.9 -28.4 -3.3 14.3 10.7 193 187 A G H < S- 0 0 16 -7,-1.8 3,-2.4 -11,-0.2 4,-0.3 -0.699 107.9 -37.8-106.1 162.1 -2.1 10.5 7.7 200 194 A A T 3 S+ 0 0 7 1,-0.3 -1,-0.1 -2,-0.2 -147,-0.1 -0.240 123.7 32.8 -51.1 141.4 -3.7 7.1 8.2 201 195 A P T 3 S- 0 0 14 0, 0.0 -1,-0.3 0, 0.0 -8,-0.1 -0.935 92.0-143.2 -87.5 17.5 -6.5 6.3 8.7 202 196 A G < + 0 0 8 -3,-2.4 7,-0.7 1,-0.2 2,-0.3 0.818 40.0 158.1 70.7 32.8 -7.2 9.3 6.4 203 197 A R + 0 0 33 -10,-2.1 -6,-0.8 -4,-0.3 2,-0.3 -0.682 5.0 123.5 -92.7 143.6 -10.3 10.5 8.1 204 198 A a B > -J 196 0C 14 6,-2.1 3,-0.8 -2,-0.3 6,-0.1 -0.942 69.3 -77.8-178.3 172.8 -11.7 14.0 8.0 205 199 A S T 3 S+ 0 0 67 -10,-0.5 -1,-0.1 -2,-0.3 6,-0.1 0.924 127.8 27.6 -50.2 -57.4 -14.8 16.0 7.0 206 200 A G T 3 S+ 0 0 80 -3,-0.1 -1,-0.2 4,-0.1 5,-0.1 0.525 99.1 131.1 -81.3 -1.1 -14.4 15.9 3.2 207 201 A a X - 0 0 34 -3,-0.8 3,-1.7 3,-0.2 -3,-0.1 -0.110 64.5-130.0 -76.3 149.0 -12.5 12.6 3.2 208 202 A D T 3 S+ 0 0 138 1,-0.3 3,-0.1 -6,-0.1 -1,-0.1 0.853 111.5 49.6 -48.7 -46.5 -12.9 9.4 1.1 209 203 A A T 3 S- 0 0 59 -7,-0.7 -1,-0.3 1,-0.3 2,-0.1 0.469 115.9-116.8 -76.3 -5.2 -12.8 7.3 4.2 210 204 A G < + 0 0 29 -3,-1.7 -6,-2.1 -8,-0.2 -1,-0.3 -0.433 50.0 142.5 91.5-174.8 -15.4 9.4 6.0 211 205 A G - 0 0 30 -8,-0.3 2,-0.2 -2,-0.1 -16,-0.1 -0.790 43.7-109.0 136.1-175.6 -14.9 11.4 9.2 212 206 A N >> - 0 0 61 -18,-0.4 4,-2.5 -2,-0.2 3,-1.2 -0.708 11.6-166.8-162.3 101.4 -15.7 14.6 11.2 213 207 A S T 34 S+ 0 0 6 1,-0.3 129,-1.0 -2,-0.2 127,-0.1 0.654 88.4 60.7 -67.6 -18.3 -13.0 17.2 11.7 214 208 A T T 34 S+ 0 0 22 127,-0.2 -1,-0.3 126,-0.1 127,-0.1 0.718 124.6 9.5 -81.5 -22.4 -15.1 19.0 14.4 215 209 A T T <> S+ 0 0 46 -3,-1.2 4,-1.8 -21,-0.2 3,-0.3 0.715 112.0 68.2-126.6 -41.0 -15.2 16.0 16.7 216 210 A E H X S+ 0 0 25 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.860 96.8 54.5 -64.2 -38.7 -12.9 13.0 15.8 217 211 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.909 111.7 46.7 -60.7 -36.4 -9.5 14.7 16.5 218 212 A Y H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.855 112.8 49.1 -72.6 -34.1 -10.7 15.6 20.0 219 213 A L H X S+ 0 0 67 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.910 112.8 48.0 -68.1 -45.1 -12.0 12.1 20.6 220 214 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.941 111.7 48.6 -60.5 -52.5 -8.8 10.5 19.3 221 215 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.902 108.2 56.1 -54.9 -43.6 -6.6 12.8 21.5 222 216 A H H X S+ 0 0 11 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.907 110.1 43.5 -58.0 -45.3 -8.7 12.0 24.5 223 217 A H H X S+ 0 0 13 -4,-1.8 4,-2.3 -70,-0.3 -1,-0.2 0.747 109.8 57.0 -74.5 -23.2 -8.2 8.2 24.2 224 218 A L H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.924 109.1 46.6 -70.0 -42.2 -4.5 8.7 23.4 225 219 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.938 114.4 46.5 -62.6 -47.5 -4.1 10.5 26.8 226 220 A L H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.911 112.9 50.3 -62.6 -40.7 -6.1 7.8 28.6 227 221 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.902 111.1 48.6 -65.2 -41.8 -4.0 5.1 26.8 228 222 A H H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.957 113.6 46.9 -58.1 -51.6 -0.8 6.8 27.8 229 223 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.890 112.5 49.7 -58.7 -41.7 -2.0 7.2 31.5 230 224 A A H X S+ 0 0 7 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.868 111.2 49.3 -68.1 -38.2 -3.2 3.5 31.6 231 225 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.4 50.0 -63.8 -45.2 0.2 2.3 30.2 232 226 A V H X S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.885 105.5 57.1 -66.1 -39.1 2.2 4.4 32.8 233 227 A K H X S+ 0 0 96 -4,-2.1 4,-2.6 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