==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-SEP-07 2R8T . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATASE CLASS II GLPX; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.V.LUNIN,T.SKARINA,G.BROWN,A.YAKUNIN,A.M.EDWARDS, . 319 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 1 1 0 1 0 0 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 0 1 0 4 0 1 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 0 0 0 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 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 2 A R > 0 0 80 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -11.4 14.3 5.9 38.6 2 3 A R G > + 0 0 180 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.728 360.0 67.5 -65.0 -21.5 17.5 6.0 40.7 3 4 A E G 3 S+ 0 0 169 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.658 96.0 57.1 -64.6 -20.8 16.6 2.6 42.2 4 5 A L G <> S+ 0 0 30 -3,-1.8 4,-2.4 1,-0.2 3,-0.4 0.555 76.6 94.8 -89.1 -12.2 17.1 1.1 38.7 5 6 A A H <> S+ 0 0 11 -3,-0.8 4,-1.4 -4,-0.3 -1,-0.2 0.851 87.2 47.4 -47.5 -44.9 20.7 2.3 38.4 6 7 A I H > S+ 0 0 95 -4,-0.3 4,-1.6 -3,-0.3 -1,-0.2 0.874 108.6 54.6 -65.1 -39.7 22.0 -1.1 39.7 7 8 A E H > S+ 0 0 54 -3,-0.4 4,-1.2 -4,-0.3 -2,-0.2 0.899 108.1 49.8 -59.8 -47.2 19.7 -3.0 37.3 8 9 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.839 106.3 55.0 -62.9 -32.8 21.2 -1.1 34.4 9 10 A S H X S+ 0 0 2 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.836 104.7 54.7 -70.8 -29.3 24.7 -1.8 35.5 10 11 A R H X S+ 0 0 103 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.814 101.7 59.3 -67.7 -32.7 23.8 -5.5 35.5 11 12 A V H X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.928 110.9 39.4 -63.8 -46.2 22.7 -5.1 31.9 12 13 A T H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.860 112.6 56.4 -70.8 -34.5 26.2 -3.9 30.8 13 14 A E H X S+ 0 0 17 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.935 110.7 45.0 -62.4 -43.6 27.9 -6.4 33.1 14 15 A S H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.884 112.5 49.3 -70.0 -40.1 26.0 -9.2 31.4 15 16 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.924 113.3 49.1 -62.1 -43.5 26.6 -7.8 27.8 16 17 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.937 109.5 50.8 -59.4 -54.0 30.4 -7.5 28.7 17 18 A L H X S+ 0 0 31 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.897 112.9 46.2 -50.5 -47.1 30.6 -11.1 30.1 18 19 A A H < S+ 0 0 16 -4,-2.1 4,-0.4 2,-0.2 3,-0.3 0.875 113.0 48.3 -64.2 -44.4 29.0 -12.5 26.9 19 20 A G H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.881 104.5 62.0 -63.1 -37.4 31.2 -10.4 24.6 20 21 A Y H >< S+ 0 0 63 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.811 90.6 67.7 -53.6 -34.1 34.2 -11.6 26.6 21 22 A K T 3< S+ 0 0 137 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.784 105.3 43.3 -57.4 -26.9 33.5 -15.2 25.6 22 23 A W T X S+ 0 0 93 -3,-1.4 3,-1.6 -4,-0.4 5,-0.4 0.208 81.9 135.8-104.9 5.4 34.4 -14.3 22.0 23 24 A L T < S+ 0 0 48 -3,-1.6 70,-0.2 1,-0.3 69,-0.1 -0.428 79.2 4.8 -61.0 124.7 37.5 -12.2 22.9 24 25 A G T 3 S+ 0 0 50 68,-2.6 -1,-0.3 -2,-0.2 69,-0.2 0.668 96.9 114.6 74.7 19.6 40.4 -13.0 20.5 25 26 A R S < S- 0 0 177 -3,-1.6 69,-0.1 67,-0.3 68,-0.1 0.257 78.5-124.9-109.0 11.7 38.3 -15.3 18.3 26 27 A G S S+ 0 0 66 67,-2.4 2,-0.5 66,-0.2 67,-0.1 0.645 73.8 116.3 65.7 19.6 38.3 -13.3 15.1 27 28 A D > + 0 0 61 -5,-0.4 4,-1.7 1,-0.2 5,-0.2 -0.862 36.8 179.4-129.1 93.3 34.6 -13.1 14.7 28 29 A K H > S+ 0 0 109 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.897 83.5 45.7 -52.5 -51.3 33.2 -9.5 15.0 29 30 A N H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.799 109.7 50.5 -75.5 -34.4 29.6 -10.5 14.5 30 31 A T H > S+ 0 0 53 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.909 113.0 47.9 -69.0 -39.9 29.4 -13.5 16.8 31 32 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.921 116.2 44.1 -57.1 -49.6 30.9 -11.4 19.7 32 33 A D H X S+ 0 0 26 -4,-2.0 4,-2.8 1,-0.2 3,-0.2 0.922 111.9 52.5 -65.2 -50.3 28.5 -8.6 18.9 33 34 A G H X S+ 0 0 33 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.789 109.5 50.2 -54.8 -33.1 25.5 -10.9 18.5 34 35 A A H X S+ 0 0 21 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.852 112.4 45.7 -76.3 -35.3 26.3 -12.5 21.9 35 36 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 -3,-0.2 -2,-0.2 0.901 113.2 50.2 -74.4 -42.4 26.5 -9.1 23.7 36 37 A V H X S+ 0 0 7 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.934 111.7 48.3 -55.4 -51.3 23.3 -7.9 22.0 37 38 A N H X S+ 0 0 69 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.922 113.6 46.1 -61.4 -45.6 21.5 -11.1 23.0 38 39 A A H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.873 112.7 50.2 -67.7 -39.0 22.6 -10.9 26.6 39 40 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.923 111.7 48.2 -63.1 -46.6 21.8 -7.1 26.9 40 41 A R H X S+ 0 0 81 -4,-2.8 4,-2.0 2,-0.2 32,-0.3 0.927 110.8 51.3 -58.6 -50.2 18.3 -7.7 25.5 41 42 A I H < S+ 0 0 81 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.911 113.5 44.0 -49.5 -53.6 17.6 -10.6 27.8 42 43 A M H >< S+ 0 0 24 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.899 112.5 51.8 -61.9 -41.6 18.7 -8.5 30.9 43 44 A L H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.3 5,-0.2 0.820 101.4 62.2 -66.2 -31.1 16.7 -5.4 29.7 44 45 A N T 3< S+ 0 0 55 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.584 102.9 50.9 -74.5 -6.4 13.6 -7.5 29.3 45 46 A Q T < S+ 0 0 112 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.3 0.357 90.4 97.6-104.4 0.5 13.7 -8.3 33.0 46 47 A V S < S- 0 0 2 -3,-1.3 27,-2.5 -4,-0.2 2,-1.9 -0.725 83.0-116.3 -90.9 140.8 14.0 -4.6 34.1 47 48 A N S S+ 0 0 78 -2,-0.3 30,-0.4 25,-0.2 2,-0.3 -0.503 75.6 103.7 -77.5 75.6 10.9 -2.7 35.2 48 49 A I S S- 0 0 0 -2,-1.9 26,-2.3 -5,-0.2 2,-0.5 -0.922 71.0-129.0-139.1 164.1 10.7 -0.1 32.5 49 50 A D E -a 78 0A 49 28,-3.2 30,-1.4 -2,-0.3 2,-0.2 -0.736 48.0-176.7-111.7 80.3 8.7 0.5 29.4 50 51 A G E -aB 79 71A 0 21,-2.4 21,-2.8 -2,-0.5 2,-0.5 -0.504 23.3-162.9 -86.9 141.7 11.7 1.0 27.1 51 52 A T E -aB 80 70A 39 28,-2.1 30,-2.4 19,-0.2 2,-0.5 -0.994 26.1-125.9-118.0 126.5 11.9 2.0 23.5 52 53 A I E +a 81 0A 1 17,-2.5 16,-3.5 -2,-0.5 17,-0.2 -0.655 38.1 164.3 -71.1 122.7 15.2 1.4 21.7 53 54 A V E S+ 0 0 15 28,-3.3 2,-0.4 -2,-0.5 29,-0.2 0.650 71.8 30.0-113.6 -31.2 16.1 4.7 20.1 54 55 A I E S+a 82 0A 12 27,-1.8 29,-2.3 12,-0.1 -1,-0.4 -0.999 90.5 111.0-135.2 126.3 19.8 4.0 19.4 55 56 A G S S- 0 0 20 -2,-0.4 11,-0.2 27,-0.2 10,-0.1 -0.829 73.1 -36.8-171.9-157.9 20.6 0.4 18.6 56 57 A E S S- 0 0 56 9,-2.0 2,-0.3 -2,-0.2 10,-0.2 0.514 94.3 -81.5 -75.4 -9.7 21.7 -2.3 16.2 57 58 A G B -h 66 0B 13 8,-0.5 10,-2.1 5,-0.1 -1,-0.2 -0.826 67.6 -28.5 137.4-177.9 19.8 -1.0 13.2 58 59 A E >> - 0 0 72 -2,-0.3 3,-2.1 8,-0.2 4,-1.3 -0.371 65.4-102.4 -70.7 152.4 16.4 -1.0 11.6 59 60 A I T 34 S+ 0 0 114 8,-0.4 -1,-0.1 1,-0.3 7,-0.1 0.668 118.7 61.2 -43.7 -27.6 14.0 -3.9 12.1 60 61 A A T 34 S+ 0 0 84 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.706 118.1 23.0 -81.5 -26.3 14.8 -5.3 8.7 61 62 A E T <4 S+ 0 0 154 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.288 120.9 57.4-124.1 8.6 18.5 -5.9 9.2 62 63 A A < - 0 0 4 -4,-1.3 -1,-0.2 -5,-0.1 4,-0.2 -0.820 52.5-177.3-140.3 100.6 18.6 -6.2 13.1 63 64 A P S S+ 0 0 112 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.712 77.1 47.6 -64.3 -25.4 16.4 -8.9 14.7 64 65 A M S S+ 0 0 50 1,-0.2 -8,-0.2 -8,-0.0 -27,-0.1 -0.980 121.5 0.5-129.0 136.1 17.5 -7.7 18.2 65 66 A L S S+ 0 0 0 -2,-0.4 -9,-2.0 1,-0.2 -8,-0.5 0.864 83.8 167.1 56.1 41.3 17.7 -4.2 19.7 66 67 A Y B > -h 57 0B 59 -4,-0.2 3,-2.0 -10,-0.2 -14,-0.3 -0.431 49.2 -78.5 -73.6 160.3 16.4 -2.7 16.4 67 68 A I T 3 S+ 0 0 42 -10,-2.1 -8,-0.4 1,-0.3 -14,-0.2 -0.431 120.3 19.7 -66.5 126.6 15.2 0.9 16.4 68 69 A G T 3 S+ 0 0 42 -16,-3.5 -1,-0.3 1,-0.3 -15,-0.1 0.345 87.0 148.0 91.3 -2.5 11.7 1.2 18.0 69 70 A E < - 0 0 6 -3,-2.0 -17,-2.5 -17,-0.2 2,-0.4 -0.440 46.4-128.9 -62.7 137.0 11.9 -2.2 19.8 70 71 A K E +B 51 0A 117 -19,-0.2 2,-0.3 -2,-0.1 -19,-0.2 -0.758 33.8 178.3 -87.2 130.8 10.0 -2.4 23.1 71 72 A V E +B 50 0A 3 -21,-2.8 -21,-2.4 -2,-0.4 3,-0.3 -0.910 30.8 45.2-133.8 162.0 12.0 -3.6 26.0 72 73 A G S S- 0 0 18 -2,-0.3 -25,-0.2 -32,-0.3 -28,-0.2 -0.235 95.9 -68.6 97.9 170.4 11.5 -4.2 29.7 73 74 A T - 0 0 66 -27,-2.5 -24,-0.2 -30,-0.2 -1,-0.2 0.545 65.8-118.2 -67.1 -8.1 8.7 -5.8 31.6 74 75 A G S S+ 0 0 45 -26,-2.3 -25,-0.2 -28,-0.4 -27,-0.1 0.336 81.2 116.2 76.1 -6.6 6.5 -2.8 30.7 75 76 A R + 0 0 181 -27,-0.4 -1,-0.3 -29,-0.2 -2,-0.1 -0.340 63.3 25.5 -75.1 173.7 6.1 -1.9 34.4 76 77 A G S S- 0 0 58 -28,-0.2 -28,-0.2 -3,-0.1 2,-0.1 -0.147 105.5 -15.5 69.1-164.5 7.6 1.5 35.4 77 78 A D - 0 0 85 -30,-0.4 -28,-3.2 1,-0.1 2,-0.5 -0.383 61.2-110.3 -80.5 151.4 8.3 4.6 33.2 78 79 A A E +a 49 0A 42 -30,-0.2 30,-0.9 -2,-0.1 2,-0.3 -0.727 51.4 176.3 -72.4 120.2 8.4 4.9 29.5 79 80 A V E -aC 50 107A 2 -30,-1.4 -28,-2.1 -2,-0.5 2,-0.3 -0.934 32.2-121.3-132.1 148.3 12.1 5.6 28.8 80 81 A D E -aC 51 106A 15 26,-2.4 26,-2.3 -2,-0.3 2,-0.4 -0.717 31.1-154.8 -84.3 142.9 14.3 6.0 25.7 81 82 A I E -aC 52 105A 0 -30,-2.4 -28,-3.3 -2,-0.3 -27,-1.8 -0.982 15.7-171.1-128.2 132.3 17.1 3.5 25.4 82 83 A A E -aC 54 104A 1 22,-2.6 22,-2.4 -2,-0.4 2,-0.4 -0.986 16.7-173.9-116.6 125.4 20.5 3.8 23.6 83 84 A V E + C 0 103A 3 -29,-2.3 20,-0.2 -2,-0.5 3,-0.1 -0.955 25.5 169.7-122.3 144.1 22.5 0.5 23.4 84 85 A D E - C 0 102A 23 18,-3.0 18,-2.7 -2,-0.4 3,-0.3 -0.597 13.5-174.2-143.8 76.9 26.0 -0.2 22.2 85 86 A P E S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -66,-0.1 0.753 79.4 16.8 -48.5 -36.1 26.4 -3.8 23.4 86 87 A I E - 0 0 2 15,-0.1 2,-0.6 16,-0.1 3,-0.4 -0.891 64.0-171.6-138.9 117.7 30.0 -3.7 22.2 87 88 A E E S+ C 0 100A 14 13,-3.6 13,-2.0 -2,-0.3 98,-0.1 -0.934 86.6 33.2 -97.9 116.3 31.8 -0.6 21.5 88 89 A G > + 0 0 10 -2,-0.6 4,-1.9 11,-0.2 -1,-0.2 0.824 67.8 162.9 95.9 47.1 35.0 -1.9 19.9 89 90 A T H > S+ 0 0 24 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.905 78.2 48.0 -61.3 -45.3 33.7 -5.1 18.2 90 91 A R H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.1 51.4 -62.6 -42.5 36.8 -5.3 16.0 91 92 A M H >>S+ 0 0 5 2,-0.2 5,-3.3 1,-0.2 4,-0.7 0.883 109.2 50.5 -62.3 -37.5 39.0 -4.9 19.0 92 93 A T H ><5S+ 0 0 0 -4,-1.9 -68,-2.6 3,-0.2 3,-0.6 0.913 110.4 48.9 -65.2 -43.0 37.1 -7.6 20.8 93 94 A A H 3<5S+ 0 0 8 -4,-2.2 -67,-2.4 1,-0.2 -2,-0.2 0.849 117.0 42.8 -63.8 -36.1 37.6 -10.0 17.8 94 95 A M H 3<5S- 0 0 112 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.467 113.1-117.0 -91.1 -2.3 41.3 -9.1 17.8 95 96 A G T <<5 + 0 0 40 -4,-0.7 -3,-0.2 -3,-0.6 2,-0.2 0.868 63.9 149.8 67.5 40.4 41.8 -9.3 21.6 96 97 A Q < - 0 0 75 -5,-3.3 3,-0.5 1,-0.2 -1,-0.2 -0.592 47.7 -89.3-106.7 166.8 42.7 -5.6 21.9 97 98 A A S S+ 0 0 55 -2,-0.2 187,-0.2 1,-0.2 -1,-0.2 -0.067 94.8 40.6 -67.2 163.5 42.3 -2.9 24.5 98 99 A N + 0 0 39 185,-2.1 2,-0.4 1,-0.2 -1,-0.2 0.656 66.2 142.7 74.4 17.4 39.3 -0.6 24.9 99 100 A A + 0 0 1 -3,-0.5 182,-3.0 184,-0.2 183,-1.3 -0.752 22.3 159.6 -83.9 138.6 36.3 -2.9 24.2 100 101 A L E -CD 87 280A 5 -13,-2.0 -13,-3.6 -2,-0.4 2,-0.4 -0.978 40.8-118.9-154.7 160.9 33.3 -2.1 26.4 101 102 A A E - D 0 279A 0 178,-2.5 178,-2.0 -2,-0.3 2,-0.4 -0.917 35.2-161.4-104.2 128.5 29.5 -2.6 26.6 102 103 A V E +CD 84 278A 1 -18,-2.7 -18,-3.0 -2,-0.4 2,-0.3 -0.932 17.5 168.3-123.5 138.0 27.5 0.7 26.7 103 104 A L E -CD 83 277A 1 174,-2.4 174,-2.8 -2,-0.4 2,-0.4 -0.997 7.2-175.2-140.6 137.0 23.9 1.6 27.7 104 105 A A E -CD 82 276A 0 -22,-2.4 -22,-2.6 -2,-0.3 2,-0.5 -1.000 6.6-169.3-128.3 137.7 22.2 5.0 28.3 105 106 A V E +CD 81 275A 1 170,-2.8 170,-2.5 -2,-0.4 2,-0.3 -0.988 16.5 158.9-124.9 128.3 18.6 5.4 29.6 106 107 A G E -CD 80 274A 0 -26,-2.3 -26,-2.4 -2,-0.5 168,-0.2 -0.851 43.4 -64.9-135.7 177.7 16.6 8.6 29.6 107 108 A D E > S-C 79 0A 47 166,-1.0 3,-2.1 -2,-0.3 4,-0.2 -0.182 72.9 -79.2 -44.9 143.7 13.3 10.3 29.8 108 109 A K T 3 S+ 0 0 152 -30,-0.9 -1,-0.1 1,-0.2 -29,-0.1 -0.256 121.1 13.8 -43.4 129.2 11.0 9.6 26.8 109 110 A G T 3 S+ 0 0 39 -3,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.521 92.2 123.7 77.1 4.8 12.1 11.9 23.8 110 111 A C < + 0 0 3 -3,-2.1 160,-3.1 159,-0.1 2,-0.5 0.679 58.2 60.8 -67.8 -28.2 15.4 12.7 25.6 111 112 A F B S-I 269 0C 6 -4,-0.2 158,-0.2 158,-0.2 -2,-0.1 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-3,-1.7 2,-0.3 14,-0.0 -2,-0.1 0.387 66.9 82.1-112.1 2.9 33.6 27.8 25.3 132 133 A I + 0 0 15 -4,-0.2 2,-0.2 12,-0.1 95,-0.1 -0.800 39.7 164.3-118.1 152.0 33.0 25.8 22.2 133 134 A D > - 0 0 42 -2,-0.3 3,-1.3 4,-0.1 8,-0.1 -0.731 27.3-150.6-166.8 112.2 31.0 26.4 18.9 134 135 A L T 3 S+ 0 0 7 1,-0.3 4,-0.1 -2,-0.2 7,-0.0 0.433 93.7 72.4 -68.2 -5.2 31.4 24.3 15.8 135 136 A N T 3 S+ 0 0 105 2,-0.1 -1,-0.3 127,-0.0 3,-0.1 0.846 90.8 72.8 -74.1 -35.5 30.5 27.3 13.6 136 137 A L S < S- 0 0 66 -3,-1.3 -3,-0.1 1,-0.1 5,-0.0 -0.256 102.3 -89.9 -63.8 154.9 34.0 28.7 14.5 137 138 A P > - 0 0 75 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.360 34.5-112.6 -67.9 157.5 37.2 27.2 13.0 138 139 A L H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.938 117.0 55.7 -49.1 -52.6 38.9 24.3 14.9 139 140 A A H > S+ 0 0 14 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.879 108.3 47.7 -51.8 -46.0 41.9 26.5 15.7 140 141 A D H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.869 111.4 50.1 -61.8 -43.4 39.7 29.1 17.3 141 142 A N H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.3 -2,-0.2 0.955 110.3 51.2 -61.8 -46.8 37.8 26.5 19.4 142 143 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.907 110.3 47.3 -58.0 -45.8 41.1 25.0 20.5 143 144 A R H X S+ 0 0 117 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.880 112.3 50.9 -64.1 -38.6 42.5 28.4 21.7 144 145 A N H X S+ 0 0 75 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.898 112.0 46.6 -64.7 -39.6 39.3 29.1 23.5 145 146 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.958 113.0 48.5 -68.3 -51.4 39.4 25.7 25.3 146 147 A A H X>S+ 0 0 3 -4,-3.0 5,-2.0 2,-0.2 4,-1.7 0.933 113.0 49.1 -51.2 -48.2 43.1 26.1 26.2 147 148 A A H <5S+ 0 0 76 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.945 113.9 44.4 -61.0 -48.0 42.4 29.6 27.5 148 149 A A H <5S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.3 51.8 -64.4 -32.6 39.4 28.5 29.6 149 150 A L H <5S- 0 0 58 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.715 111.5-126.4 -75.6 -20.9 41.3 25.5 30.8 150 151 A G T <5 + 0 0 70 -4,-1.7 -3,-0.2 -3,-0.5 -2,-0.1 0.873 69.9 110.4 80.8 39.8 44.2 27.8 31.8 151 152 A K S - 0 0 69 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.373 37.4-114.9 -61.3 151.1 49.1 26.9 26.9 153 154 A L G > S+ 0 0 40 1,-0.3 3,-2.2 2,-0.2 26,-0.3 0.876 117.2 60.5 -50.6 -44.1 47.8 25.6 23.6 154 155 A S G 3 S+ 0 0 75 1,-0.3 -1,-0.3 24,-0.1 23,-0.1 0.676 103.1 51.8 -61.1 -23.8 50.9 23.4 23.4 155 156 A E G < S+ 0 0 114 -3,-1.8 -1,-0.3 23,-0.1 -2,-0.2 0.514 87.7 109.3 -84.3 -11.6 49.8 21.7 26.6 156 157 A L < - 0 0 0 -3,-2.2 23,-2.6 -4,-0.4 2,-0.5 -0.459 57.4-151.0 -76.0 136.7 46.2 21.0 25.2 157 158 A T E -l 179 0D 2 43,-0.2 45,-2.6 21,-0.2 46,-1.9 -0.938 12.7-175.0-118.3 124.6 45.4 17.4 24.4 158 159 A V E -lm 180 203D 0 21,-3.0 23,-2.9 -2,-0.5 2,-0.3 -0.933 8.8-157.2-117.6 126.6 43.0 16.4 21.7 159 160 A T E +lm 181 204D 2 44,-2.7 46,-2.1 -2,-0.5 2,-0.3 -0.779 21.0 165.0-101.9 153.8 41.9 12.8 21.0 160 161 A I E -l 182 0D 0 21,-2.0 23,-2.2 -2,-0.3 2,-0.2 -0.986 43.5 -87.3-165.4 142.6 40.6 11.8 17.6 161 162 A L E -l 183 0D 13 -2,-0.3 2,-1.6 44,-0.3 46,-0.1 -0.413 38.5-127.0 -61.5 128.7 39.8 8.7 15.6 162 163 A A + 0 0 51 21,-3.7 -1,-0.1 -2,-0.2 3,-0.0 -0.655 61.4 134.3 -76.8 87.8 42.9 7.5 13.7 163 164 A K S > S- 0 0 57 -2,-1.6 3,-2.5 1,-0.1 4,-0.4 -0.972 70.2-110.1-138.0 151.0 41.2 7.4 10.3 164 165 A P G > S+ 0 0 110 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.880 116.0 62.7 -44.1 -45.8 42.1 8.5 6.7 165 166 A R G 3 S+ 0 0 53 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.668 103.5 51.8 -53.9 -17.5 39.3 11.2 6.9 166 167 A H G <> S+ 0 0 4 -3,-2.5 4,-2.3 1,-0.1 -1,-0.2 0.470 77.0 95.3-106.5 -4.2 41.3 12.8 9.7 167 168 A D H <> S+ 0 0 113 -3,-1.6 4,-2.4 -4,-0.4 5,-0.2 0.926 86.9 49.5 -50.2 -54.2 44.9 13.1 8.3 168 169 A A H > S+ 0 0 79 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.917 115.5 42.3 -56.2 -45.9 44.5 16.7 7.2 169 170 A V H > S+ 0 0 22 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.785 110.4 55.0 -78.5 -26.8 43.1 17.9 10.5 170 171 A I H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.932 110.0 48.3 -69.3 -43.3 45.6 15.9 12.7 171 172 A A H X S+ 0 0 52 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.971 109.0 53.5 -53.8 -54.9 48.4 17.7 10.8 172 173 A E H X S+ 0 0 95 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.835 112.2 44.8 -53.9 -37.4 46.7 21.1 11.3 173 174 A M H <>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 4,-0.3 0.840 113.5 48.1 -75.1 -40.6 46.6 20.5 15.1 174 175 A Q H ><5S+ 0 0 107 -4,-2.3 3,-2.4 3,-0.2 -2,-0.2 0.972 112.4 49.6 -64.4 -50.1 50.1 19.1 15.4 175 176 A Q H 3<5S+ 0 0 173 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.881 106.5 56.8 -50.5 -40.0 51.4 22.1 13.3 176 177 A L T 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.618 123.5-109.9 -69.8 -13.6 49.3 24.3 15.7 177 178 A G T < 5S+ 0 0 34 -3,-2.4 2,-0.3 -4,-0.3 -3,-0.2 0.684 70.5 138.1 93.3 22.8 51.4 22.7 18.6 178 179 A V < - 0 0 9 -5,-2.4 2,-0.5 -23,-0.1 -1,-0.3 -0.662 57.8-112.9 -99.9 150.2 48.7 20.6 20.2 179 180 A R E -l 157 0D 98 -23,-2.6 -21,-3.0 -26,-0.3 2,-0.6 -0.743 32.7-155.9 -84.5 129.9 49.1 17.0 21.6 180 181 A V E -l 158 0D 24 -2,-0.5 2,-1.0 -23,-0.2 -21,-0.2 -0.915 11.9-165.7-114.7 113.5 47.1 14.7 19.4 181 182 A F E -l 159 0D 75 -23,-2.9 -21,-2.0 -2,-0.6 2,-0.7 -0.795 13.4-164.5 -95.8 97.3 46.0 11.3 20.8 182 183 A A E -l 160 0D 52 -2,-1.0 -21,-0.2 -23,-0.2 -23,-0.1 -0.710 6.8-162.5 -83.3 114.6 44.9 9.3 17.8 183 184 A I E -l 161 0D 22 -23,-2.2 -21,-3.7 -2,-0.7 3,-0.1 -0.735 21.9-136.5-101.0 146.7 42.8 6.3 18.8 184 185 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.919 80.1 -26.0 -66.6 -44.0 42.1 3.3 16.6 185 186 A D S S+ 0 0 44 1,-0.1 -98,-0.0 -24,-0.1 -22,-0.0 -0.951 94.8 78.2-155.5 169.3 38.4 3.1 17.6 186 187 A G > + 0 0 10 -2,-0.3 4,-1.8 -3,-0.1 -1,-0.1 0.947 26.8 169.3 96.7 64.1 36.0 4.0 20.4 187 188 A D H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.668 76.5 65.7 -85.7 -9.0 34.9 7.7 20.6 188 189 A V H > S+ 0 0 1 2,-0.2 4,-1.2 1,-0.1 3,-0.2 0.991 109.8 36.0 -66.8 -58.0 32.2 7.0 23.1 189 190 A A H > S+ 0 0 4 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.909 117.0 54.5 -60.6 -40.2 34.8 6.0 25.8 190 191 A A H >X S+ 0 0 4 -4,-1.8 4,-0.6 1,-0.2 3,-0.6 0.875 102.7 56.6 -66.2 -33.9 37.3 8.6 24.6 191 192 A S H >< S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.868 100.8 57.3 -64.6 -33.9 34.7 11.5 24.9 192 193 A I H >< S+ 0 0 0 -4,-1.2 3,-2.2 -3,-0.4 -1,-0.2 0.814 92.0 71.4 -67.8 -24.9 34.2 10.6 28.6 193 194 A L H X< S+ 0 0 6 -4,-0.9 3,-2.1 -3,-0.6 6,-0.3 0.840 82.7 70.7 -60.9 -34.6 38.0 11.1 29.2 194 195 A T T << S+ 0 0 14 -3,-0.8 -69,-0.4 -4,-0.6 -1,-0.3 0.723 105.4 40.5 -49.5 -22.7 37.4 14.9 28.7 195 196 A C T < S+ 0 0 21 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.301 94.5 92.0-111.0 5.7 35.6 14.8 32.1 196 197 A M X - 0 0 26 -3,-2.1 3,-2.0 -4,-0.2 5,-0.2 -0.916 64.1-155.7-106.7 110.3 38.1 12.4 33.8 197 198 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.793 89.9 56.2 -60.9 -36.2 40.8 14.5 35.6 198 199 A D T 3 S+ 0 0 171 2,-0.0 2,-0.4 0, 0.0 -5,-0.0 0.350 91.4 90.2 -81.7 4.0 43.5 11.9 35.7 199 200 A S S < S- 0 0 28 -3,-2.0 87,-0.0 -6,-0.3 86,-0.0 -0.845 74.8-142.9 -93.5 140.9 43.2 11.6 31.9 200 201 A E + 0 0 114 -2,-0.4 2,-0.3 -44,-0.0 -43,-0.2 0.585 70.0 111.1 -76.9 -7.0 45.5 13.9 29.9 201 202 A V + 0 0 7 -5,-0.2 -5,-0.2 1,-0.2 -43,-0.2 -0.513 33.8 166.5 -73.6 125.8 42.6 14.3 27.3 202 203 A D + 0 0 19 -45,-2.6 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