==== 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 06-MAY-08 3D1R . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATASE CLASS II GLPX; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.SINGER,T.SKARINA,A.DONG,G.BROWN,A.JOACHIMIAK,A.M.EDWARDS, . 321 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 72.6 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 19.0 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 . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 25.5 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 2 1 0 0 0 1 0 1 1 1 0 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 1 2 0 1 0 4 1 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 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 1 A M 0 0 75 0, 0.0 76,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.3 -4.5 13.2 40.4 2 2 A R > + 0 0 42 76,-0.0 3,-1.6 275,-0.0 4,-0.4 -0.964 360.0 36.2 -74.3 -10.9 -5.7 14.4 38.2 3 3 A R G > S+ 0 0 182 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.891 113.4 62.1 -64.0 -30.9 -6.1 17.4 40.5 4 4 A E G 3 S+ 0 0 150 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.641 98.4 58.5 -61.6 -18.7 -2.6 16.5 41.9 5 5 A L G <> S+ 0 0 20 -3,-1.6 4,-2.6 1,-0.2 -1,-0.3 0.538 76.3 93.5 -89.9 -7.3 -1.2 17.1 38.4 6 6 A A H <> S+ 0 0 9 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.2 0.916 89.0 46.0 -52.9 -45.3 -2.4 20.7 38.2 7 7 A I H > S+ 0 0 88 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.3 0.884 109.3 55.0 -64.3 -39.0 1.0 21.9 39.5 8 8 A E H > S+ 0 0 65 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.912 108.0 49.9 -60.8 -43.6 2.9 19.6 37.1 9 9 A F H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.858 106.0 55.1 -65.9 -35.7 1.0 21.1 34.2 10 10 A S H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.863 104.4 55.1 -64.7 -32.9 1.8 24.7 35.3 11 11 A R H X S+ 0 0 110 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.840 103.1 57.2 -66.7 -31.9 5.5 23.7 35.3 12 12 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.940 110.3 41.3 -65.1 -46.4 5.1 22.6 31.7 13 13 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.872 112.4 55.7 -70.8 -33.4 3.9 26.1 30.6 14 14 A E H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.944 110.4 46.4 -62.1 -43.8 6.5 27.9 32.8 15 15 A S H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.907 112.9 48.2 -60.9 -47.8 9.2 25.9 31.0 16 16 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.906 113.3 48.4 -61.0 -45.8 7.8 26.6 27.5 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.902 111.0 49.0 -63.7 -43.7 7.5 30.3 28.3 18 18 A L H X S+ 0 0 43 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.899 111.9 50.3 -65.6 -37.4 11.0 30.6 29.7 19 19 A A H < S+ 0 0 22 -4,-2.3 4,-0.3 -5,-0.2 3,-0.3 0.917 113.0 44.7 -65.5 -42.5 12.3 28.8 26.6 20 20 A G H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.877 105.0 63.8 -68.2 -36.1 10.4 31.1 24.2 21 21 A Y H >< S+ 0 0 56 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.853 89.7 67.2 -57.7 -35.4 11.5 34.2 26.3 22 22 A K T 3< S+ 0 0 102 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.765 105.8 43.2 -56.0 -25.1 15.2 33.4 25.3 23 23 A W T X S+ 0 0 97 -3,-1.9 3,-2.0 -4,-0.3 5,-0.4 0.235 81.8 136.0-106.0 9.8 14.2 34.4 21.7 24 24 A L T < S+ 0 0 46 -3,-2.1 70,-0.2 1,-0.3 69,-0.1 -0.406 80.3 3.9 -63.0 128.0 12.1 37.4 22.6 25 25 A G T 3 S+ 0 0 50 68,-2.6 -1,-0.3 67,-0.2 69,-0.2 0.583 97.0 116.9 75.6 10.9 13.0 40.3 20.2 26 26 A R S < S- 0 0 178 -3,-2.0 69,-0.1 67,-0.3 -2,-0.1 0.465 77.7-125.5 -95.9 0.4 15.3 38.1 18.2 27 27 A G S S+ 0 0 64 67,-2.1 2,-0.4 -4,-0.2 67,-0.1 0.707 76.4 108.5 75.1 23.2 13.3 38.3 14.9 28 28 A D > + 0 0 58 -5,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.810 36.9 175.5-136.5 93.2 13.0 34.5 14.4 29 29 A K H > S+ 0 0 115 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.889 81.0 53.5 -71.2 -36.7 9.5 33.2 15.0 30 30 A N H > S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.908 110.8 45.6 -58.7 -48.3 10.3 29.6 14.0 31 31 A T H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 112.2 51.5 -67.0 -39.6 13.3 29.3 16.4 32 32 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.953 113.5 44.9 -59.2 -51.1 11.2 30.9 19.3 33 33 A D H X S+ 0 0 29 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.935 110.9 53.5 -60.8 -45.1 8.4 28.4 18.6 34 34 A G H X S+ 0 0 38 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.857 108.7 50.4 -58.2 -40.2 10.9 25.5 18.3 35 35 A A H X S+ 0 0 22 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.921 113.3 44.1 -64.8 -45.4 12.4 26.3 21.7 36 36 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.917 113.4 51.4 -66.8 -40.3 9.0 26.5 23.4 37 37 A V H X S+ 0 0 9 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.940 111.4 48.1 -61.0 -48.5 7.9 23.3 21.7 38 38 A N H X S+ 0 0 72 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.928 113.4 46.5 -56.7 -51.0 11.0 21.4 22.8 39 39 A A H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.893 112.3 50.3 -61.3 -42.3 10.7 22.6 26.4 40 40 A M H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.930 112.6 46.7 -62.3 -44.3 7.0 21.8 26.6 41 41 A R H X S+ 0 0 66 -4,-2.6 4,-2.2 -5,-0.2 32,-0.3 0.921 110.9 52.2 -63.5 -45.9 7.7 18.2 25.2 42 42 A I H < S+ 0 0 69 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.933 114.8 42.5 -55.0 -50.2 10.6 17.6 27.6 43 43 A M H >< S+ 0 0 24 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.931 112.0 52.0 -67.0 -45.9 8.5 18.6 30.6 44 44 A L H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 30,-0.2 0.854 102.3 62.4 -57.3 -36.4 5.3 16.7 29.5 45 45 A N T 3< S+ 0 0 58 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.558 102.0 51.2 -69.8 -7.8 7.5 13.6 29.1 46 46 A Q T < S+ 0 0 114 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.331 90.3 98.4-103.1 3.9 8.3 13.7 32.8 47 47 A V S < S- 0 0 2 -3,-1.7 27,-2.5 -4,-0.3 2,-2.1 -0.731 82.5-116.7 -93.5 141.5 4.6 14.0 33.9 48 48 A N S S+ 0 0 79 -2,-0.3 30,-0.3 25,-0.2 2,-0.3 -0.493 76.2 103.9 -81.3 75.3 2.7 10.9 35.0 49 49 A I S S- 0 0 0 -2,-2.1 26,-2.3 -5,-0.2 2,-0.7 -0.939 70.8-130.1-136.8 163.0 0.1 10.7 32.3 50 50 A D E -a 79 0A 52 28,-2.8 30,-1.9 -2,-0.3 2,-0.2 -0.815 48.7-176.8-109.6 82.8 -0.5 8.6 29.2 51 51 A G E -aB 80 72A 0 21,-2.5 21,-2.4 -2,-0.7 2,-0.4 -0.595 23.9-161.7 -91.2 145.0 -1.0 11.6 27.0 52 52 A T E -aB 81 71A 33 28,-2.0 30,-2.6 -2,-0.2 2,-0.6 -0.993 24.7-126.8-117.5 128.7 -1.9 11.9 23.3 53 53 A I E +a 82 0A 0 17,-2.8 16,-3.3 -2,-0.4 17,-0.2 -0.610 38.2 162.8 -72.0 117.4 -1.4 15.1 21.5 54 54 A V E S+ 0 0 36 28,-3.2 2,-0.4 -2,-0.6 29,-0.2 0.660 71.9 32.2-108.5 -24.1 -4.7 16.0 19.8 55 55 A I E S+a 83 0A 10 27,-1.5 29,-2.3 12,-0.1 -1,-0.4 -0.997 90.5 110.4-129.5 126.4 -4.0 19.6 19.1 56 56 A G S S- 0 0 20 -2,-0.4 11,-0.2 27,-0.2 10,-0.1 -0.734 73.0 -39.9-167.0-149.4 -0.5 20.5 18.3 57 57 A E S S- 0 0 59 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.681 94.6 -73.1 -82.8 -22.3 2.2 21.6 15.9 58 58 A G B -h 67 0B 12 8,-0.5 10,-2.7 5,-0.1 -1,-0.2 -0.942 67.2 -39.3 157.5-171.9 1.1 19.6 12.9 59 59 A E >> - 0 0 58 -2,-0.3 4,-2.4 8,-0.2 3,-1.4 -0.466 64.6-100.2 -76.0 157.2 1.0 16.1 11.4 60 60 A I T 34 S+ 0 0 114 8,-0.4 -1,-0.1 1,-0.3 7,-0.0 0.844 122.0 61.3 -40.4 -43.4 3.9 13.8 12.0 61 61 A A T 34 S+ 0 0 89 1,-0.2 -1,-0.3 3,-0.0 6,-0.0 0.847 117.9 23.8 -57.0 -41.3 5.1 14.6 8.4 62 62 A E T <4 S+ 0 0 134 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.631 121.1 55.8-102.9 -16.2 5.5 18.4 9.0 63 63 A A < - 0 0 7 -4,-2.4 -1,-0.2 1,-0.1 4,-0.2 -0.940 52.2-174.6-126.0 106.6 6.1 18.5 12.8 64 64 A P S S+ 0 0 110 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.755 78.6 43.8 -67.7 -22.9 8.9 16.4 14.4 65 65 A M S S+ 0 0 60 1,-0.2 -8,-0.2 5,-0.0 -27,-0.1 -0.985 121.5 3.5-131.4 139.3 7.8 17.4 17.9 66 66 A L S S+ 0 0 0 -2,-0.4 -9,-2.8 1,-0.2 -8,-0.5 0.893 83.5 167.5 53.4 45.4 4.2 17.6 19.5 67 67 A Y B > -h 58 0B 56 -10,-0.2 3,-2.2 -11,-0.2 -14,-0.2 -0.445 49.2 -80.3 -82.2 156.7 2.7 16.2 16.2 68 68 A I T 3 S+ 0 0 62 -10,-2.7 -8,-0.4 1,-0.3 -14,-0.2 -0.473 120.8 20.5 -65.9 127.5 -0.9 15.1 16.3 69 69 A G T 3 S+ 0 0 39 -16,-3.3 -1,-0.3 1,-0.3 -15,-0.1 0.209 87.0 146.2 95.3 -8.1 -1.1 11.6 17.8 70 70 A E < - 0 0 6 -3,-2.2 -17,-2.8 -17,-0.2 2,-0.4 -0.338 47.6-130.1 -59.6 136.1 2.3 11.9 19.5 71 71 A K E +B 52 0A 116 -19,-0.2 2,-0.3 -3,-0.1 -19,-0.2 -0.783 32.7 178.3 -88.7 131.8 2.4 10.0 22.8 72 72 A V E +B 51 0A 3 -21,-2.4 -21,-2.5 -2,-0.4 3,-0.2 -0.914 31.5 49.1-131.6 157.9 3.7 12.1 25.7 73 73 A G S S- 0 0 19 -2,-0.3 -25,-0.2 -32,-0.3 -28,-0.2 -0.275 93.9 -73.2 103.6 168.8 4.2 11.4 29.4 74 74 A T - 0 0 65 -27,-2.5 -24,-0.2 -30,-0.2 -1,-0.2 0.540 65.1-120.1 -72.4 -10.2 5.8 8.7 31.5 75 75 A G S S+ 0 0 44 -26,-2.3 -25,-0.2 -28,-0.4 2,-0.1 0.330 79.0 119.0 80.4 -7.2 2.8 6.5 30.6 76 76 A R + 0 0 187 -27,-0.4 -1,-0.3 -29,-0.2 -2,-0.1 -0.437 62.7 23.7 -79.1 163.5 1.9 6.1 34.2 77 77 A G S S- 0 0 58 -28,-0.2 -28,-0.2 -2,-0.1 2,-0.1 -0.255 105.4 -13.6 77.8-166.2 -1.6 7.6 35.2 78 78 A D - 0 0 80 -30,-0.3 -28,-2.8 1,-0.1 2,-0.5 -0.367 61.6-110.4 -76.3 148.3 -4.6 8.2 33.1 79 79 A A E +a 50 0A 45 -30,-0.2 30,-0.8 -2,-0.1 2,-0.3 -0.649 53.3 171.6 -68.2 122.2 -5.0 8.2 29.3 80 80 A V E -aC 51 108A 1 -30,-1.9 -28,-2.0 -2,-0.5 2,-0.4 -0.967 33.6-120.7-135.0 154.1 -5.7 11.9 28.6 81 81 A D E -aC 52 107A 14 26,-2.4 26,-2.6 -2,-0.3 2,-0.4 -0.773 28.3-154.1 -96.7 147.8 -5.9 14.1 25.6 82 82 A I E -aC 53 106A 0 -30,-2.6 -28,-3.2 -2,-0.4 -27,-1.5 -0.966 13.2-169.6-129.1 130.8 -3.6 17.0 25.3 83 83 A A E -aC 55 105A 1 22,-2.9 22,-2.8 -2,-0.4 2,-0.4 -0.987 15.8-174.3-119.0 125.5 -3.8 20.3 23.5 84 84 A V E + C 0 104A 2 -29,-2.3 20,-0.2 -2,-0.5 3,-0.1 -0.941 27.1 170.0-121.6 143.1 -0.7 22.5 23.2 85 85 A D E - C 0 103A 16 18,-2.7 18,-2.3 -2,-0.4 3,-0.3 -0.674 16.6-172.8-138.6 80.6 0.1 25.9 21.9 86 86 A P E S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -66,-0.1 0.796 78.9 17.3 -56.2 -35.4 3.7 26.3 23.1 87 87 A I E - 0 0 2 15,-0.2 2,-0.7 -3,-0.1 3,-0.4 -0.914 63.8-170.1-131.6 122.3 3.6 29.9 22.0 88 88 A E E S+ C 0 101A 12 13,-3.7 13,-1.8 -2,-0.3 98,-0.1 -0.928 87.5 33.6 -95.0 110.5 0.4 31.9 21.2 89 89 A G > + 0 0 8 -2,-0.7 4,-2.4 11,-0.2 -1,-0.2 0.800 67.2 162.6 106.9 48.9 1.9 35.0 19.7 90 90 A T H > S+ 0 0 37 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.923 80.9 44.5 -67.5 -46.4 5.0 33.7 17.8 91 91 A R H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 112.6 53.0 -60.3 -47.2 5.4 36.8 15.6 92 92 A M H 4>S+ 0 0 7 1,-0.2 5,-3.1 2,-0.2 4,-0.3 0.910 109.9 49.0 -54.4 -41.3 4.8 38.9 18.8 93 93 A T H ><5S+ 0 0 0 -4,-2.4 -68,-2.6 3,-0.2 3,-1.5 0.954 111.0 48.8 -61.1 -50.5 7.6 37.0 20.5 94 94 A A H 3<5S+ 0 0 8 -4,-2.6 -67,-2.1 1,-0.3 -2,-0.2 0.853 116.0 44.5 -55.5 -36.6 10.0 37.5 17.5 95 95 A M T 3<5S- 0 0 109 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.371 112.4-117.1 -93.6 3.0 9.1 41.2 17.5 96 96 A G T < 5 + 0 0 43 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.855 65.2 147.7 62.6 36.6 9.4 41.7 21.3 97 97 A Q < - 0 0 75 -5,-3.1 3,-0.4 -6,-0.2 -1,-0.2 -0.520 47.6 -86.1-103.2 167.8 5.7 42.7 21.5 98 98 A A S S+ 0 0 55 1,-0.2 190,-0.2 -2,-0.2 -1,-0.1 -0.162 93.7 35.7 -67.0 161.8 2.9 42.3 24.1 99 99 A N + 0 0 34 188,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.671 67.1 143.1 71.5 25.7 0.6 39.3 24.7 100 100 A A + 0 0 1 -3,-0.4 185,-2.9 187,-0.2 186,-1.6 -0.760 21.7 158.5 -90.2 143.8 2.8 36.3 23.9 101 101 A L E -CD 88 284A 4 -13,-1.8 -13,-3.7 -2,-0.4 2,-0.4 -0.980 40.3-116.3-160.1 161.7 2.1 33.3 26.2 102 102 A A E - D 0 283A 0 181,-2.5 181,-2.1 -2,-0.3 2,-0.4 -0.892 34.4-163.2-107.3 136.8 2.5 29.5 26.4 103 103 A V E +CD 85 282A 1 -18,-2.3 -18,-2.7 -2,-0.4 2,-0.3 -0.954 16.5 169.0-133.4 140.6 -0.7 27.4 26.5 104 104 A L E -CD 84 281A 1 177,-2.2 177,-2.8 -2,-0.4 2,-0.4 -0.993 7.1-173.4-143.9 139.9 -1.6 23.8 27.5 105 105 A A E -CD 83 280A 0 -22,-2.8 -22,-2.9 -2,-0.3 2,-0.4 -0.996 4.5-168.8-133.5 143.6 -4.9 22.1 28.1 106 106 A V E +CD 82 279A 1 173,-2.7 173,-2.6 -2,-0.4 2,-0.3 -0.997 16.3 158.3-131.8 130.7 -5.4 18.5 29.4 107 107 A G E -CD 81 278A 0 -26,-2.6 -26,-2.4 -2,-0.4 171,-0.2 -0.885 44.6 -62.9-141.6 178.1 -8.7 16.6 29.4 108 108 A D E > S-C 80 0A 46 169,-0.9 3,-2.3 -2,-0.3 4,-0.2 -0.195 73.6 -78.4 -53.7 154.1 -10.3 13.2 29.5 109 109 A K T 3 S+ 0 0 151 -30,-0.8 -1,-0.1 1,-0.3 -29,-0.1 -0.354 123.0 13.6 -51.5 129.1 -9.6 10.9 26.6 110 110 A G T 3 S+ 0 0 36 -3,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.548 90.6 121.3 80.5 9.6 -11.8 12.1 23.7 111 111 A C < + 0 0 3 -3,-2.3 163,-2.5 162,-0.1 2,-0.5 0.564 58.9 68.3 -84.3 -12.1 -12.7 15.4 25.4 112 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-1,-0.2 0.918 110.3 48.4 -59.4 -47.2 -29.2 39.6 17.1 142 142 A N H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.932 111.1 50.0 -59.1 -47.2 -26.5 37.8 19.2 143 143 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.926 111.5 48.1 -61.0 -43.8 -25.0 41.0 20.3 144 144 A R H X S+ 0 0 117 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.933 113.0 49.1 -61.0 -44.1 -28.4 42.4 21.3 145 145 A N H X S+ 0 0 78 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.876 111.2 49.0 -63.6 -39.4 -29.2 39.2 23.2 146 146 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.924 109.8 50.8 -68.5 -43.8 -25.8 39.2 25.0 147 147 A A H X>S+ 0 0 3 -4,-2.5 5,-2.5 2,-0.2 4,-0.7 0.904 111.4 48.6 -58.6 -42.3 -26.1 42.9 26.1 148 148 A A H ><5S+ 0 0 76 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.932 110.6 50.8 -63.7 -45.7 -29.6 42.3 27.5 149 149 A A H 3<5S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 113.3 45.5 -59.1 -38.0 -28.3 39.2 29.3 150 150 A L H 3<5S- 0 0 60 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.545 111.8-123.8 -84.0 -8.6 -25.5 41.3 30.8 151 151 A G T <<5S+ 0 0 69 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.858 70.6 117.1 69.9 37.0 -27.9 44.1 31.7 152 152 A K S - 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.391 35.7-114.7 -65.1 152.8 -26.9 48.9 26.7 154 154 A L G > S+ 0 0 40 1,-0.3 3,-1.8 2,-0.2 26,-0.3 0.852 114.8 64.0 -52.0 -40.3 -25.7 47.7 23.4 155 155 A S G 3 S+ 0 0 75 1,-0.3 -1,-0.3 24,-0.1 23,-0.1 0.667 103.9 48.3 -64.3 -16.2 -23.4 50.8 23.1 156 156 A E G < S+ 0 0 109 -3,-1.6 -1,-0.3 23,-0.1 2,-0.2 0.459 84.2 112.7 -98.9 -5.0 -21.5 49.6 26.1 157 157 A L < - 0 0 0 -3,-1.8 23,-2.8 -4,-0.3 2,-0.5 -0.519 56.5-151.0 -70.6 134.9 -21.1 46.0 24.9 158 158 A T E -l 180 0D 1 43,-0.3 45,-2.6 -2,-0.2 46,-2.0 -0.946 13.4-174.3-116.4 119.3 -17.4 45.3 24.1 159 159 A V E -lm 181 204D 0 21,-2.9 23,-2.7 -2,-0.5 2,-0.3 -0.925 9.6-154.5-111.4 129.7 -16.5 42.8 21.5 160 160 A T E +lm 182 205D 2 44,-3.0 46,-2.3 -2,-0.5 2,-0.3 -0.815 22.3 163.5-102.2 151.8 -12.9 41.7 20.8 161 161 A I E -l 183 0D 1 21,-1.8 23,-2.5 -2,-0.3 2,-0.2 -0.977 43.6 -87.6-163.9 145.9 -12.0 40.3 17.3 162 162 A L E 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0 0 36 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.922 111.6 53.4 -61.5 -42.4 -17.7 48.3 10.5 173 173 A E H X S+ 0 0 85 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.919 110.9 45.5 -58.5 -47.2 -21.1 46.6 11.1 174 174 A M H X>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-0.7 0.903 111.2 51.5 -65.9 -41.0 -20.5 46.4 14.8 175 175 A Q H ><5S+ 0 0 109 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.925 109.4 51.1 -64.8 -38.8 -19.2 50.0 15.1 176 176 A Q H 3<5S+ 0 0 165 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.852 104.3 57.3 -64.1 -35.5 -22.4 51.1 13.2 177 177 A L H 3<5S- 0 0 46 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.702 121.5-114.7 -63.3 -18.5 -24.4 49.1 15.7 178 178 A G T <<5 + 0 0 35 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.537 68.3 139.6 93.5 8.6 -22.7 51.3 18.4 179 179 A V < - 0 0 8 -5,-1.9 2,-0.5 -23,-0.1 -1,-0.3 -0.475 57.6-111.0 -80.5 157.5 -20.7 48.5 20.1 180 180 A R E -l 158 0D 97 -23,-2.8 -21,-2.9 -26,-0.3 2,-0.6 -0.788 32.2-157.6 -89.5 128.0 -17.1 48.9 21.3 181 181 A V E -l 159 0D 24 -2,-0.5 2,-0.9 -23,-0.2 -21,-0.2 -0.920 12.1-166.2-115.1 118.6 -14.7 46.9 19.2 182 182 A F E -l 160 0D 76 -23,-2.7 -21,-1.8 -2,-0.6 2,-0.6 -0.840 15.4-164.5-103.4 97.8 -11.3 45.9 20.6 183 183 A A E -l 161 0D 51 -2,-0.9 -21,-0.2 -23,-0.2 -23,-0.1 -0.749 8.0-159.8 -92.2 117.6 -9.5 44.7 17.4 184 184 A I E -l 162 0D 22 -23,-2.5 -21,-3.2 -2,-0.6 3,-0.1 -0.786 22.5-135.3-107.1 143.3 -6.4 42.7 18.4 185 185 A P S S- 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.851 80.9 -27.7 -62.7 -34.8 -3.3 41.9 16.3 186 186 A D S S+ 0 0 46 1,-0.1 -98,-0.0 -24,-0.1 5,-0.0 -0.969 93.5 80.2-166.2 162.5 -3.2 38.2 17.3 187 187 A G > + 0 0 11 -2,-0.3 4,-1.8 -3,-0.1 -1,-0.1 0.940 27.0 169.7 100.5 62.6 -4.1 35.8 20.2 188 188 A D H > S+ 0 0 8 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.650 76.2 63.5 -82.0 -12.5 -7.7 34.8 20.3 189 189 A V H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.974 110.6 37.2 -67.2 -56.2 -7.1 32.1 22.9 190 190 A A H > S+ 0 0 3 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.909 117.6 52.4 -60.9 -42.6 -6.0 34.6 25.6 191 191 A A H >< S+ 0 0 4 -4,-1.8 3,-0.7 1,-0.2 4,-0.5 0.881 101.7 60.2 -64.5 -34.1 -8.6 37.2 24.4 192 192 A S H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.869 99.8 56.9 -61.8 -34.1 -11.4 34.6 24.6 193 193 A I H >< S+ 0 0 0 -4,-1.2 3,-2.4 -3,-0.4 -1,-0.2 0.801 89.3 73.3 -70.6 -25.3 -10.7 34.2 28.4 194 194 A L G X< S+ 0 0 4 -4,-0.9 3,-1.4 -3,-0.7 6,-0.3 0.759 82.3 71.1 -59.3 -25.4 -11.3 38.0 28.9 195 195 A T G < S+ 0 0 15 -3,-1.1 -69,-0.4 -4,-0.5 -1,-0.3 0.718 104.9 40.3 -58.9 -25.7 -15.0 37.3 28.4 196 196 A C G < S+ 0 0 19 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.209 95.4 93.3-106.4 7.1 -14.8 35.6 31.9 197 197 A M X - 0 0 28 -3,-1.4 3,-1.8 5,-0.2 5,-0.1 -0.915 62.6-157.2-108.2 107.9 -12.5 38.1 33.5 198 198 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.783 90.5 55.2 -55.8 -32.2 -14.6 40.8 35.4 199 199 A D T 3 S+ 0 0 166 2,-0.0 2,-0.5 0, 0.0 -5,-0.1 0.475 91.6 85.9 -84.5 -6.5 -11.8 43.4 35.3 200 200 A S S < S- 0 0 29 -3,-1.8 -3,-0.1 -6,-0.3 90,-0.0 -0.893 75.5-143.0 -92.4 132.0 -11.5 43.2 31.5 201 201 A E + 0 0 110 -2,-0.5 -43,-0.3 -44,-0.0 2,-0.1 0.641 69.7 113.6 -62.1 -18.4 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