==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAY-01 1J8V . COMPND 2 MOLECULE: BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR M.HRMOVA,R.DE GORI,B.J.SMITH,J.K.FAIRWEATHER,H.DRIGUEZ,J.N.V . 602 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 1 3 5 2 2 1 1 1 0 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 1 2 1 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 . 2 1 0 1 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 . 0 1 1 0 1 1 0 0 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 1 A D 0 0 187 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.0 29.5 3.9 -1.9 2 2 A Y - 0 0 118 1,-0.1 2,-0.8 2,-0.0 5,-0.0 -0.288 360.0-143.4 -59.3 134.7 26.8 3.3 0.7 3 3 A V >> - 0 0 42 1,-0.2 3,-1.2 2,-0.0 4,-0.6 -0.850 10.5-166.7-107.9 100.0 27.2 5.3 3.9 4 4 A L G >4 S+ 0 0 28 -2,-0.8 3,-1.9 1,-0.2 -1,-0.2 0.879 81.5 56.8 -49.7 -53.3 26.0 3.2 6.9 5 5 A Y G 34 S+ 0 0 6 1,-0.3 -1,-0.2 10,-0.2 10,-0.1 0.722 104.4 53.6 -58.8 -21.6 25.8 6.0 9.5 6 6 A K G <4 S+ 0 0 116 -3,-1.2 2,-0.8 3,-0.0 -1,-0.3 0.613 84.2 102.1 -88.0 -11.2 23.4 8.0 7.4 7 7 A D X< - 0 0 37 -3,-1.9 3,-1.5 -4,-0.6 8,-0.1 -0.632 56.9-163.4 -77.5 106.6 21.0 5.1 7.0 8 8 A A T 3 S+ 0 0 55 -2,-0.8 -1,-0.2 1,-0.3 352,-0.1 0.704 84.4 65.7 -63.8 -21.2 18.1 5.6 9.5 9 9 A T T 3 S+ 0 0 119 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.248 87.1 94.6 -86.5 14.2 17.0 2.0 9.3 10 10 A K S < S- 0 0 83 -3,-1.5 5,-0.0 -6,-0.2 0, 0.0 -0.804 85.1 -93.7-109.3 150.2 20.2 0.8 10.9 11 11 A P > - 0 0 72 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.213 31.8-120.3 -58.4 146.4 20.9 0.1 14.6 12 12 A V H > S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 111.7 50.9 -52.5 -53.0 22.4 2.9 16.7 13 13 A E H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 110.3 49.6 -56.7 -40.9 25.5 0.9 17.6 14 14 A D H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 113.0 46.8 -64.4 -43.9 26.3 0.1 14.0 15 15 A R H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.908 111.3 51.0 -64.8 -44.1 25.8 3.8 13.0 16 16 A V H X S+ 0 0 2 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.969 112.8 46.1 -57.3 -53.7 28.0 5.1 15.8 17 17 A A H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 113.3 49.8 -56.4 -43.3 30.8 2.7 14.9 18 18 A D H < S+ 0 0 44 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.934 115.3 41.7 -63.3 -47.9 30.5 3.5 11.2 19 19 A L H >X S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 4,-0.9 0.925 113.4 52.4 -65.8 -47.5 30.6 7.3 11.8 20 20 A L H >< S+ 0 0 23 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.942 102.8 59.7 -53.8 -50.5 33.3 7.1 14.4 21 21 A G T 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.537 107.6 46.8 -58.2 -6.0 35.5 5.1 12.1 22 22 A R T <4 S+ 0 0 87 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.571 91.1 105.7-109.7 -15.1 35.4 8.0 9.6 23 23 A M << - 0 0 14 -3,-1.6 2,-0.2 -4,-0.9 -3,-0.0 -0.365 58.7-141.3 -74.8 144.1 36.1 10.8 12.0 24 24 A T > - 0 0 68 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.528 35.1-100.5 -93.2 165.7 39.4 12.7 12.2 25 25 A L H > S+ 0 0 41 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.926 124.5 54.0 -51.7 -47.5 40.8 13.9 15.6 26 26 A A H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.866 110.8 45.9 -56.5 -38.1 39.5 17.4 15.0 27 27 A E H > S+ 0 0 6 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.849 113.3 49.5 -75.3 -33.1 36.0 16.0 14.4 28 28 A K H >X S+ 0 0 23 -4,-2.4 4,-1.0 2,-0.2 3,-0.5 0.961 114.0 43.6 -69.2 -51.8 36.2 13.8 17.4 29 29 A I H 3< S+ 0 0 0 -4,-3.1 3,-0.3 1,-0.2 4,-0.2 0.839 108.9 60.2 -62.4 -32.7 37.4 16.5 19.8 30 30 A G H >< S+ 0 0 0 -4,-1.6 21,-2.2 -5,-0.3 3,-1.3 0.856 100.0 54.7 -64.1 -34.6 34.8 18.9 18.2 31 31 A Q H << S+ 0 0 4 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.819 103.9 56.3 -67.6 -28.7 32.0 16.6 19.3 32 32 A M T 3< S+ 0 0 0 -4,-1.0 283,-2.8 -3,-0.3 2,-0.5 0.460 92.6 93.1 -81.9 0.3 33.4 16.8 22.8 33 33 A T E < -a 315 0A 0 -3,-1.3 19,-1.3 -4,-0.2 18,-0.9 -0.830 50.5-175.8-103.7 127.3 33.1 20.6 22.8 34 34 A Q E -ab 316 52A 0 281,-2.1 283,-1.1 -2,-0.5 2,-0.3 -0.980 11.8-174.7-120.4 123.3 30.0 22.5 24.0 35 35 A I E - b 0 53A 0 17,-1.9 19,-1.9 -2,-0.5 284,-0.2 -0.810 28.1-105.6-119.2 157.5 30.0 26.3 23.5 36 36 A E E > - b 0 54A 4 282,-3.3 3,-1.3 -2,-0.3 4,-0.2 -0.496 28.6-123.7 -76.1 147.7 27.7 29.1 24.6 37 37 A R G > S+ 0 0 41 17,-1.5 3,-1.8 1,-0.3 -1,-0.1 0.842 108.0 70.0 -60.2 -32.4 25.5 30.6 21.8 38 38 A L G 3 S+ 0 0 118 1,-0.3 -1,-0.3 3,-0.0 281,-0.1 0.795 106.0 37.5 -56.6 -30.1 27.0 34.0 22.6 39 39 A V G < S+ 0 0 43 -3,-1.3 2,-0.3 279,-0.2 -1,-0.3 0.257 97.4 109.1-106.2 13.0 30.4 32.9 21.2 40 40 A A < + 0 0 13 -3,-1.8 3,-0.1 -4,-0.2 37,-0.0 -0.720 36.1 169.9 -99.2 143.7 29.1 30.8 18.3 41 41 A T > - 0 0 59 -2,-0.3 4,-3.4 1,-0.1 5,-0.3 -0.940 46.4-112.4-140.5 155.4 29.2 31.6 14.5 42 42 A P H > S+ 0 0 63 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.945 123.6 45.6 -57.8 -41.9 28.4 29.6 11.4 43 43 A D H > S+ 0 0 94 2,-0.2 4,-4.0 1,-0.2 5,-0.4 0.970 113.8 48.3 -61.5 -53.1 32.1 29.7 10.6 44 44 A V H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 6,-0.3 0.896 115.4 44.0 -53.0 -47.3 33.1 28.8 14.2 45 45 A L H <>S+ 0 0 0 -4,-3.4 5,-1.3 2,-0.2 4,-0.4 0.899 119.8 42.7 -67.0 -40.5 30.6 25.9 14.4 46 46 A R H ><5S+ 0 0 83 -4,-2.7 3,-0.9 -5,-0.3 -2,-0.2 0.959 116.1 45.4 -71.0 -52.1 31.6 24.7 10.9 47 47 A D H 3<5S+ 0 0 103 -4,-4.0 -3,-0.2 1,-0.2 -2,-0.2 0.810 119.2 40.5 -63.5 -33.6 35.4 25.1 11.2 48 48 A N T 3<5S- 0 0 46 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.392 101.4-127.9 -97.8 3.9 35.7 23.5 14.7 49 49 A F T < 5 - 0 0 55 -3,-0.9 -16,-0.2 -4,-0.4 -3,-0.2 0.861 34.5-157.4 53.7 38.4 33.2 20.7 14.1 50 50 A I < - 0 0 2 -5,-1.3 -19,-0.2 -6,-0.3 -1,-0.2 -0.165 15.1-162.5 -51.4 132.6 31.3 21.8 17.2 51 51 A G + 0 0 0 -21,-2.2 40,-1.3 -18,-0.9 2,-0.3 0.667 65.3 9.4 -93.7 -18.2 29.2 19.0 18.7 52 52 A S E -bc 34 91A 0 -19,-1.3 -17,-1.9 -22,-0.3 2,-0.3 -0.987 51.2-160.5-163.5 150.0 26.9 21.0 21.0 53 53 A L E -bc 35 92A 0 38,-1.1 40,-2.8 -2,-0.3 2,-0.3 -0.900 15.3-169.1-125.5 156.5 25.8 24.5 22.0 54 54 A L E -bc 36 93A 0 -19,-1.9 -17,-1.5 -2,-0.3 2,-0.5 -0.910 20.6-133.7-140.9 170.2 24.0 25.6 25.1 55 55 A S E - c 0 94A 0 38,-1.7 40,-0.7 -2,-0.3 3,-0.1 -0.960 24.5-152.0-128.8 107.7 22.2 28.6 26.5 56 56 A G > - 0 0 3 -2,-0.5 3,-2.6 1,-0.2 -19,-0.0 -0.221 49.9 -53.4 -71.9 171.8 23.3 29.5 30.0 57 57 A G T 3 S+ 0 0 27 1,-0.3 377,-0.4 376,-0.1 -1,-0.2 -0.194 128.8 3.4 -49.5 126.8 20.9 31.2 32.4 58 58 A G T 3 S+ 0 0 24 375,-0.3 2,-1.7 1,-0.2 -1,-0.3 0.398 89.0 136.7 78.7 -3.6 19.5 34.4 30.7 59 59 A S < + 0 0 9 -3,-2.6 -1,-0.2 2,-0.0 -22,-0.1 -0.556 29.1 154.0 -79.4 85.7 21.3 33.7 27.4 60 60 A V - 0 0 29 -2,-1.7 3,-0.1 -3,-0.1 43,-0.0 -0.805 55.2-124.1-116.6 157.3 18.5 34.5 25.0 61 61 A P S S- 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.733 95.2 -13.9 -66.8 -21.7 18.4 35.7 21.4 62 62 A R S > S- 0 0 146 3,-0.0 3,-1.7 4,-0.0 2,-0.2 -0.901 82.1 -89.9-176.4 145.5 16.3 38.7 22.4 63 63 A K T 3 S+ 0 0 132 1,-0.3 40,-0.1 -2,-0.3 369,-0.0 -0.478 114.9 7.1 -66.3 134.0 14.3 39.8 25.4 64 64 A G T 3 S+ 0 0 33 -2,-0.2 -1,-0.3 1,-0.2 39,-0.1 0.753 91.6 173.0 65.6 24.7 10.7 38.6 25.0 65 65 A A < - 0 0 2 -3,-1.7 39,-0.3 1,-0.1 -1,-0.2 -0.290 28.3-118.7 -63.7 149.9 11.6 36.5 21.9 66 66 A T > - 0 0 72 1,-0.1 4,-1.7 37,-0.1 3,-0.4 -0.422 25.5-101.6 -88.3 166.7 8.9 34.3 20.5 67 67 A A H > S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.865 123.9 52.1 -54.2 -39.1 9.0 30.5 20.1 68 68 A K H > S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.870 103.2 57.6 -67.5 -35.4 9.8 30.9 16.4 69 69 A E H > S+ 0 0 48 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.883 108.9 46.5 -62.3 -37.0 12.7 33.3 17.1 70 70 A W H X S+ 0 0 2 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.950 111.2 51.0 -68.3 -48.4 14.2 30.5 19.2 71 71 A Q H X S+ 0 0 4 -4,-2.3 4,-2.9 66,-0.2 293,-0.3 0.914 110.6 50.1 -54.5 -44.1 13.6 27.9 16.5 72 72 A D H X S+ 0 0 107 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.902 111.1 48.8 -62.0 -42.2 15.2 30.2 13.9 73 73 A M H X S+ 0 0 25 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.947 113.7 45.3 -63.7 -48.8 18.2 30.7 16.2 74 74 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 64,-0.3 -2,-0.2 0.947 113.8 49.6 -60.7 -48.1 18.7 27.0 16.9 75 75 A D H X S+ 0 0 23 -4,-2.9 4,-3.0 -5,-0.3 -1,-0.2 0.852 105.8 57.8 -59.2 -36.9 18.2 26.1 13.2 76 76 A G H X S+ 0 0 35 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.941 109.6 43.6 -59.5 -47.6 20.7 28.7 12.2 77 77 A F H X S+ 0 0 27 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.862 113.5 53.1 -65.4 -36.3 23.4 27.1 14.3 78 78 A Q H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.940 102.1 56.1 -66.4 -47.5 22.3 23.6 13.1 79 79 A K H X S+ 0 0 130 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.889 107.4 51.9 -50.3 -42.3 22.6 24.5 9.3 80 80 A A H >< S+ 0 0 4 -4,-1.3 3,-0.6 -5,-0.2 -1,-0.2 0.928 112.9 43.5 -61.5 -45.9 26.2 25.4 10.0 81 81 A C H >< S+ 0 0 2 -4,-1.7 3,-1.8 1,-0.2 7,-0.3 0.905 108.9 56.3 -68.2 -40.9 26.9 22.1 11.7 82 82 A M H 3< S+ 0 0 57 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.655 98.3 65.7 -65.6 -14.1 25.0 20.0 9.1 83 83 A S T << S+ 0 0 62 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.534 78.0 107.5 -86.5 -5.9 27.3 21.6 6.5 84 84 A T S < S- 0 0 22 -3,-1.8 -37,-0.1 -4,-0.2 -38,-0.1 -0.114 91.6 -94.7 -63.9 171.3 30.5 20.0 7.8 85 85 A R S S+ 0 0 155 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.883 128.2 28.3 -54.8 -44.4 32.1 17.1 5.9 86 86 A L S S- 0 0 8 2,-0.1 -1,-0.2 -67,-0.0 -4,-0.1 0.603 100.2-137.6 -94.1 -14.1 30.3 14.5 8.0 87 87 A G + 0 0 6 -6,-0.2 -5,-0.2 1,-0.2 -6,-0.1 0.905 30.5 179.7 57.9 47.3 27.3 16.7 8.7 88 88 A I - 0 0 7 -7,-0.3 -1,-0.2 1,-0.0 -4,-0.1 -0.713 24.8-129.6 -83.5 114.1 27.0 15.7 12.4 89 89 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 -0.273 19.1-124.7 -63.6 145.1 24.0 17.7 13.9 90 90 A M - 0 0 0 272,-0.1 2,-0.6 -12,-0.1 -38,-0.2 -0.540 11.8-132.1 -88.9 157.3 24.6 19.5 17.1 91 91 A I E -c 52 0A 0 -40,-1.3 -38,-1.1 -2,-0.2 2,-0.5 -0.953 18.4-146.2-111.2 121.2 22.5 19.1 20.3 92 92 A Y E -c 53 0A 0 -2,-0.6 50,-0.9 -40,-0.2 49,-0.7 -0.774 16.9-162.4 -91.3 127.9 21.4 22.3 21.9 93 93 A G E +cd 54 142A 0 -40,-2.8 -38,-1.7 -2,-0.5 2,-0.3 -0.821 13.8 165.8-113.4 151.1 21.2 22.3 25.6 94 94 A I E -cd 55 143A 0 48,-1.9 50,-3.0 -2,-0.3 2,-1.3 -0.979 43.3-101.2-154.5 163.7 19.4 24.5 28.1 95 95 A D + 0 0 15 -40,-0.7 2,-1.2 -2,-0.3 3,-0.2 -0.660 43.5 159.9 -92.2 81.2 18.3 24.8 31.7 96 96 A A + 0 0 3 -2,-1.3 3,-0.3 1,-0.2 4,-0.1 -0.687 15.5 150.8 -97.6 74.4 14.6 24.0 31.6 97 97 A V S S+ 0 0 18 -2,-1.2 15,-0.2 1,-0.2 -1,-0.2 0.652 78.8 9.5 -83.7 -19.0 14.6 23.2 35.3 98 98 A H S S- 0 0 5 1,-0.9 11,-2.4 -3,-0.2 2,-0.2 -0.245 139.0 -38.1-155.1 54.1 11.0 24.1 36.0 99 99 A G S S- 0 0 0 -3,-0.3 2,-2.4 9,-0.2 -1,-0.9 -0.574 101.2 -48.2 111.9-179.1 9.5 24.6 32.5 100 100 A Q S > S+ 0 0 0 7,-0.4 3,-1.3 -2,-0.2 6,-0.2 -0.431 78.4 171.3 -82.4 62.7 11.3 26.2 29.6 101 101 A N T 3 + 0 0 0 -2,-2.4 331,-3.5 1,-0.3 -1,-0.2 0.530 62.4 56.8 -54.7 -19.1 12.2 28.9 32.2 102 102 A N T 3 S+ 0 0 3 329,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.791 93.5 87.3 -82.2 -28.9 14.6 31.1 30.1 103 103 A V S X S- 0 0 1 -3,-1.3 3,-1.4 1,-0.1 2,-0.1 -0.534 83.6-120.1 -77.2 131.3 12.0 31.5 27.4 104 104 A Y T 3 S+ 0 0 105 -39,-0.3 338,-0.1 -2,-0.3 3,-0.1 -0.409 97.6 18.3 -68.5 141.1 9.5 34.4 27.7 105 105 A G T 3 S+ 0 0 12 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.426 93.5 137.7 77.9 -2.8 5.9 33.3 27.8 106 106 A A < - 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0 0 5 0, 0.0 2,-0.3 0, 0.0 53,-0.2 -0.471 36.9-173.9 -82.0 158.8 20.4 6.3 26.9 194 194 A F + 0 0 33 51,-0.9 9,-0.3 -2,-0.1 2,-0.3 -0.987 23.4 161.1-157.3 147.0 16.8 6.9 25.7 195 195 A V - 0 0 3 -2,-0.3 -13,-0.2 160,-0.3 -14,-0.1 -0.837 29.4-143.3-162.7 121.7 14.6 9.5 24.0 196 196 A A - 0 0 63 -15,-3.1 2,-0.3 -2,-0.3 -14,-0.1 0.927 59.9 -70.7 -57.9 -52.9 11.4 8.6 22.3 197 197 A G S > S- 0 0 22 -16,-0.3 3,-2.4 4,-0.0 -1,-0.2 -0.958 71.0 -35.3-177.7-162.4 11.5 11.1 19.4 198 198 A K T 3 S+ 0 0 94 -2,-0.3 167,-0.1 1,-0.3 159,-0.0 0.580 126.1 57.1 -60.0 -9.3 11.4 14.6 18.1 199 199 A N T 3 S+ 0 0 68 -18,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.346 103.8 59.5-103.7 5.0 8.7 15.4 20.6 200 200 A K S < S- 0 0 39 -3,-2.4 2,-0.3 156,-0.2 -19,-0.2 -0.693 73.8-136.9-121.1 174.4 10.8 14.5 23.6 201 201 A V - 0 0 0 -21,-2.3 2,-0.2 -2,-0.2 -59,-0.2 -0.961 23.0-104.2-136.0 154.3 14.1 15.8 24.9 202 202 A A B -e 142 0A 0 -61,-2.2 -59,-2.5 -2,-0.3 2,-0.2 -0.574 42.7-147.4 -73.8 139.1 17.3 14.2 26.3 203 203 A A - 0 0 0 -9,-0.3 45,-0.9 -2,-0.2 2,-0.3 -0.474 3.3-140.5-102.7 177.1 17.4 14.7 30.1 204 204 A C E -g 248 0C 0 -59,-4.4 2,-0.7 -2,-0.2 45,-0.2 -0.954 2.7-149.1-145.4 120.9 20.3 15.2 32.5 205 205 A A E -g 249 0C 0 43,-2.3 45,-1.4 -2,-0.3 3,-0.4 -0.810 41.0-130.5 -91.5 115.3 20.8 13.8 36.0 206 206 A K E +f 147 0B 3 -60,-1.7 -58,-2.3 -2,-0.7 -57,-0.2 -0.910 53.9 4.4-134.7 157.3 22.8 16.3 38.0 207 207 A H E > S- 0 0 4 43,-0.4 4,-0.9 -2,-0.3 2,-0.4 0.249 71.0-131.2-114.1 113.8 25.1 17.0 39.7 208 208 A F E 4 S+g 251 0C 0 42,-2.6 44,-2.4 -3,-0.4 27,-0.1 -0.456 73.2 6.1 -62.2 113.7 27.1 13.7 40.1 209 209 A V T 4 S- 0 0 1 -2,-0.4 -1,-0.2 42,-0.2 26,-0.1 0.583 114.8 -27.7-150.5 146.6 27.6 13.4 43.0 210 210 A G T >4 + 0 0 0 24,-0.4 3,-1.8 20,-0.1 -2,-0.1 0.697 65.0 143.0 85.9 19.9 26.9 14.7 46.5 211 211 A D G >< S+ 0 0 7 -4,-0.9 3,-0.6 1,-0.3 9,-0.2 0.778 71.5 56.5 -63.3 -25.1 26.2 18.3 45.5 212 212 A G G 3 S+ 0 0 4 1,-0.2 -60,-1.8 -5,-0.1 -1,-0.3 0.149 98.8 63.8 -92.9 20.5 23.5 18.4 48.1 213 213 A G G < + 0 0 17 -3,-1.8 11,-0.3 -62,-0.2 -1,-0.2 0.025 65.4 139.5-132.1 30.2 25.8 17.4 50.9 214 214 A T X - 0 0 7 -3,-0.6 3,-2.2 9,-0.2 9,-0.3 -0.468 64.1 -89.9 -77.2 147.4 28.4 20.2 51.2 215 215 A V G > S- 0 0 54 7,-2.6 3,-1.9 1,-0.3 -1,-0.1 -0.324 109.4 -3.5 -57.3 129.4 29.6 21.5 54.6 216 216 A D G 3 S- 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.678 119.7 -79.6 59.1 20.1 27.4 24.3 55.9 217 217 A G G < S+ 0 0 1 -3,-2.2 -60,-0.5 1,-0.2 2,-0.5 0.747 79.2 165.7 61.7 24.2 25.5 24.2 52.6 218 218 A I X - 0 0 71 -3,-1.9 3,-1.4 4,-0.1 -1,-0.2 -0.622 39.5-116.1 -75.1 123.6 28.3 26.1 50.9 219 219 A N T 3 S+ 0 0 15 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.303 90.6 5.4 -63.4 141.4 27.8 25.8 47.2 220 220 A E T 3 S+ 0 0 48 -9,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.616 107.5 121.2 62.3 13.3 30.4 24.1 45.1 221 221 A N < - 0 0 69 -3,-1.4 34,-1.9 -10,-0.2 2,-0.3 0.089 66.6 -56.5 -91.3-156.1 32.3 23.2 48.3 222 222 A N E -j 255 0D 34 32,-0.2 -7,-2.6 -7,-0.1 2,-0.8 -0.674 30.3-151.5 -95.0 139.6 33.3 19.9 50.0 223 223 A T E -j 256 0D 1 32,-1.8 2,-0.8 -2,-0.3 34,-0.8 -0.870 15.9-166.3-108.3 96.2 31.1 17.0 50.9 224 224 A I + 0 0 120 -2,-0.8 2,-0.3 -11,-0.3 32,-0.0 -0.760 37.0 115.8 -87.9 107.4 32.8 15.3 53.9 225 225 A I - 0 0 34 -2,-0.8 -2,-0.1 3,-0.0 5,-0.1 -0.918 64.4 -95.2-171.9 143.1 31.2 11.9 54.5 226 226 A N > - 0 0 98 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.073 42.9-105.4 -57.7 162.6 32.1 8.2 54.4 227 227 A R H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.778 119.5 61.6 -62.3 -28.2 31.5 6.2 51.3 228 228 A E H > S+ 0 0 153 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 107.8 41.7 -63.9 -47.7 28.5 4.5 53.0 229 229 A G H >>S+ 0 0 10 2,-0.2 4,-3.1 -3,-0.2 5,-0.9 0.884 111.4 55.9 -66.7 -38.8 26.7 7.9 53.4 230 230 A L H <>S+ 0 0 0 -4,-2.0 5,-1.2 1,-0.2 4,-0.3 0.917 117.8 35.5 -58.0 -43.6 27.7 8.9 49.9 231 231 A M H <5S+ 0 0 43 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.695 119.6 49.3 -84.2 -22.9 26.0 5.8 48.6 232 232 A N H <5S+ 0 0 91 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.840 129.6 14.3 -85.1 -35.9 23.2 5.7 51.1 233 233 A I T <5S+ 0 0 27 -4,-3.1 4,-0.3 -5,-0.2 -3,-0.2 0.868 132.8 29.8-105.0 -58.9 22.1 9.3 50.6 234 234 A H T >> S+ 0 0 20 0, 0.0 3,-1.4 0, 0.0 4,-1.2 0.803 86.7 57.5 -36.4 -55.1 20.6 6.1 45.1 237 237 A A H 3> S+ 0 0 5 -4,-0.3 4,-2.0 1,-0.3 5,-0.1 0.770 97.8 63.3 -54.1 -29.4 18.7 8.4 42.7 238 238 A Y H <> S+ 0 0 1 -3,-1.8 4,-2.3 2,-0.2 -1,-0.3 0.858 99.0 53.6 -66.0 -33.8 21.3 7.9 40.0 239 239 A K H S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 -2,-0.2 0.897 108.8 49.7 -64.3 -40.9 18.0 7.5 36.6 242 242 A M H ><5S+ 0 0 1 -4,-2.3 -51,-2.0 1,-0.2 3,-1.9 0.960 110.3 49.5 -62.3 -50.9 20.0 4.6 35.0 243 243 A D H 3<5S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.6 49.3 -57.8 -32.6 16.9 2.3 35.1 244 244 A K T 3<5S- 0 0 40 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.392 118.6-112.6 -90.2 5.4 14.8 5.0 33.5 245 245 A G T < 5 - 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