==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-SEP-09 3K2Q . COMPND 2 MOLECULE: PYROPHOSPHATE-DEPENDENT PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MARINOBACTER AQUAEOLEI VT8; . AUTHOR J.SEETHARAMAN,S.LEW,D.WANG,H.NEELY,K.JANJUA,K.CUNNINGHAM, . 1176 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 818 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 3 0.3 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 . 2 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 . 68 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.5 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 3 6 3 3 0 0 0 3 6 3 0 0 3 0 0 2 1 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 5 1 3 9 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 . 10 2 3 0 0 0 0 3 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 0 1 0 0 0 4 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 3 A I 0 0 117 0, 0.0 95,-0.2 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 51.5 55.3 9.8 -27.2 2 4 A K + 0 0 127 93,-0.7 33,-3.3 32,-0.1 94,-0.2 0.598 360.0 82.6-114.8 -17.8 53.4 12.3 -29.5 3 5 A N E -a 96 0A 25 92,-3.5 94,-2.1 31,-0.2 95,-1.4 -0.506 67.1-139.9 -84.9 164.0 51.9 10.3 -32.4 4 6 A A E -ab 98 37A 0 32,-2.3 34,-3.5 92,-0.2 2,-0.5 -0.892 2.9-145.7-123.6 152.7 48.6 8.5 -32.0 5 7 A F E -ab 99 38A 0 93,-2.6 95,-3.1 -2,-0.3 2,-0.4 -0.980 14.3-173.7-123.1 123.9 47.4 5.1 -33.2 6 8 A Y E +ab 100 39A 1 32,-3.2 34,-2.5 -2,-0.5 2,-0.3 -0.929 9.7 167.8-115.6 137.4 43.8 4.5 -34.2 7 9 A A E -a 101 0A 2 93,-1.7 95,-2.6 -2,-0.4 2,-0.3 -0.993 25.0-135.8-148.3 151.9 42.4 1.1 -35.1 8 10 A Q E -a 102 0A 1 67,-0.5 2,-0.3 32,-0.4 36,-0.3 -0.711 20.8-162.6-105.1 158.2 39.0 -0.5 -35.6 9 11 A S - 0 0 9 93,-1.6 95,-0.3 -2,-0.3 69,-0.2 -0.999 43.3 -2.9-146.6 142.1 37.9 -3.8 -34.2 10 12 A G S S- 0 0 13 67,-2.5 67,-0.1 -2,-0.3 69,-0.1 -0.350 108.1 -5.8 80.2-163.0 35.1 -6.4 -34.9 11 13 A G S S- 0 0 11 1,-0.1 -2,-0.2 -2,-0.1 123,-0.1 -0.393 78.2-117.7 -67.6 144.0 32.4 -6.0 -37.4 12 14 A V - 0 0 36 -4,-0.1 2,-0.3 -2,-0.1 122,-0.1 -0.207 26.4-147.1 -76.1 171.1 32.2 -2.6 -39.1 13 15 A T - 0 0 2 58,-0.3 58,-1.1 263,-0.1 4,-0.4 -0.877 27.9-110.7-135.9 167.1 29.3 -0.2 -38.9 14 16 A A S S+ 0 0 2 -2,-0.3 262,-0.1 56,-0.2 267,-0.1 0.773 121.7 26.8 -68.9 -24.7 27.6 2.4 -41.0 15 17 A V S >> S+ 0 0 1 2,-0.1 3,-1.5 1,-0.1 4,-1.4 0.322 85.7 102.9-120.9 6.4 29.0 5.1 -38.7 16 18 A I H 3> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 -2,-0.1 0.831 84.5 56.9 -60.9 -25.8 32.1 3.6 -37.3 17 19 A N H 3> S+ 0 0 0 -4,-0.4 4,-1.8 52,-0.3 -1,-0.3 0.721 96.8 62.7 -74.2 -20.6 34.0 5.8 -39.8 18 20 A A H <> S+ 0 0 1 -3,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.907 103.4 48.6 -67.7 -41.3 32.2 8.8 -38.2 19 21 A S H X S+ 0 0 1 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.940 109.0 52.5 -60.8 -47.6 34.0 7.9 -34.9 20 22 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.857 110.4 49.4 -56.3 -36.8 37.2 7.7 -36.9 21 23 A C H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.4 0.941 109.1 50.8 -68.8 -47.3 36.4 11.2 -38.2 22 24 A G H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.868 115.1 43.9 -58.3 -36.7 35.7 12.5 -34.8 23 25 A V H X S+ 0 0 1 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.935 117.0 44.1 -75.3 -45.1 39.0 11.2 -33.5 24 26 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.918 112.2 49.7 -67.7 -46.2 41.1 12.3 -36.5 25 27 A Q H < S+ 0 0 39 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.905 113.2 45.2 -62.3 -43.1 39.7 15.8 -36.9 26 28 A T H >< S+ 0 0 1 -4,-1.1 3,-0.9 -5,-0.4 -1,-0.2 0.851 108.6 57.3 -70.6 -31.9 40.1 16.7 -33.2 27 29 A A H >< S+ 0 0 1 -4,-1.6 3,-1.4 1,-0.3 7,-0.3 0.908 104.0 53.4 -63.0 -38.9 43.6 15.3 -33.1 28 30 A R T 3< S+ 0 0 78 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.653 98.1 67.0 -68.4 -14.7 44.5 17.6 -36.0 29 31 A K T < S+ 0 0 58 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.236 100.9 49.0 -90.0 12.5 43.2 20.5 -33.8 30 32 A H X> + 0 0 45 -3,-1.4 3,-3.1 4,-0.2 4,-2.3 -0.197 57.6 156.4-145.7 49.5 46.0 20.0 -31.3 31 33 A P T 34 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.644 75.6 63.2 -52.0 -15.6 49.3 19.8 -33.3 32 34 A D T 34 S+ 0 0 118 1,-0.1 3,-0.1 -3,-0.1 -3,-0.0 0.398 116.0 26.6 -91.7 1.8 51.1 20.9 -30.1 33 35 A Q T <4 S+ 0 0 64 -3,-3.1 2,-0.4 1,-0.4 -1,-0.1 0.558 125.2 37.5-129.5 -33.5 50.1 17.8 -28.2 34 36 A I < - 0 0 1 -4,-2.3 -1,-0.4 -7,-0.3 -31,-0.2 -0.987 60.8-168.2-128.6 134.5 49.6 15.1 -30.9 35 37 A G - 0 0 38 -33,-3.3 2,-0.1 -2,-0.4 -32,-0.1 0.540 59.9 -8.5 -87.4-124.0 51.6 14.5 -34.0 36 38 A K - 0 0 83 1,-0.1 -32,-2.3 -5,-0.0 2,-0.7 -0.465 62.5-132.9 -77.3 147.3 50.6 12.2 -36.8 37 39 A V E -b 4 0A 7 -34,-0.2 18,-1.6 -2,-0.1 2,-0.3 -0.893 23.6-160.7-100.5 112.3 47.5 9.9 -36.4 38 40 A Y E -bC 5 54A 19 -34,-3.5 -32,-3.2 -2,-0.7 2,-0.4 -0.734 2.4-150.4 -94.7 144.1 48.5 6.4 -37.6 39 41 A A E -bC 6 53A 0 14,-2.5 14,-3.4 -2,-0.3 2,-0.5 -0.942 17.8-121.4-116.3 136.6 45.8 3.9 -38.5 40 42 A G E > - C 0 52A 1 -34,-2.5 3,-1.6 -2,-0.4 2,-0.4 -0.624 28.8-124.7 -75.9 121.4 46.2 0.2 -38.1 41 43 A R T 3 S- 0 0 98 10,-2.0 5,-0.4 -2,-0.5 34,-0.2 -0.534 93.5 -6.6 -68.5 121.3 45.7 -1.5 -41.5 42 44 A N T > S- 0 0 67 32,-2.7 3,-0.6 -2,-0.4 34,-0.3 0.853 127.6 -67.7 61.3 36.8 42.9 -4.0 -41.0 43 45 A G T X> S- 0 0 0 -3,-1.6 3,-1.6 32,-0.7 4,-0.5 -0.481 98.4 -23.1 87.6-157.0 42.8 -3.4 -37.2 44 46 A I H 3> S+ 0 0 12 -36,-0.3 4,-3.1 1,-0.3 3,-0.3 0.689 124.3 77.9 -66.2 -17.8 45.5 -4.3 -34.6 45 47 A I H <> S+ 0 0 19 -3,-0.6 4,-3.1 1,-0.3 -1,-0.3 0.907 91.0 58.1 -54.7 -34.7 46.7 -6.8 -37.1 46 48 A G H <4>S+ 0 0 0 -3,-1.6 5,-3.8 -5,-0.4 -1,-0.3 0.881 106.7 43.3 -60.6 -43.9 48.2 -3.7 -38.6 47 49 A A H ><5S+ 0 0 0 -4,-0.5 3,-1.0 -3,-0.3 -2,-0.2 0.933 114.4 51.7 -68.2 -46.3 50.1 -2.8 -35.5 48 50 A L H 3<5S+ 0 0 4 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.917 117.8 36.5 -55.5 -47.6 51.2 -6.4 -35.1 49 51 A K T 3<5S- 0 0 79 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.365 113.4-119.5 -88.9 5.9 52.5 -6.7 -38.7 50 52 A E T < 5 + 0 0 6 -3,-1.0 2,-0.8 -5,-0.2 -3,-0.2 0.903 63.1 146.9 56.5 45.7 53.7 -3.1 -38.5 51 53 A E < + 0 0 30 -5,-3.8 -10,-2.0 -6,-0.2 2,-0.5 -0.826 24.1 178.0-110.9 87.7 51.5 -1.9 -41.4 52 54 A L E -C 40 0A 3 -2,-0.8 333,-1.9 333,-0.3 2,-0.5 -0.825 21.8-143.0 -99.2 126.7 50.7 1.6 -40.2 53 55 A I E -CD 39 384A 2 -14,-3.4 -14,-2.5 -2,-0.5 2,-1.2 -0.744 11.1-139.9 -88.8 126.3 48.6 4.0 -42.3 54 56 A D E > +C 38 0A 10 329,-2.9 3,-1.2 -2,-0.5 329,-0.4 -0.717 21.8 179.8 -86.5 95.1 49.8 7.6 -42.3 55 57 A T G > S+ 0 0 2 -18,-1.6 3,-0.8 -2,-1.2 -1,-0.2 0.462 71.1 78.1 -76.7 0.7 46.4 9.4 -42.1 56 58 A S G 3 S+ 0 0 46 1,-0.2 -1,-0.2 -19,-0.2 -18,-0.1 0.770 83.8 63.5 -77.6 -23.3 48.3 12.8 -42.1 57 59 A L G < S+ 0 0 61 -3,-1.2 2,-0.4 326,-0.1 -1,-0.2 0.440 86.6 99.0 -77.2 0.2 48.8 12.4 -45.8 58 60 A E S < S- 0 0 7 -3,-0.8 322,-0.1 1,-0.1 -3,-0.0 -0.755 78.8-118.6 -93.6 134.3 45.0 12.5 -46.2 59 61 A S > - 0 0 64 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.281 23.8-113.2 -67.9 154.2 43.4 15.8 -47.2 60 62 A D H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.853 117.3 55.7 -55.7 -36.2 40.9 17.5 -44.8 61 63 A D H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.966 105.6 48.7 -62.2 -53.9 38.1 16.8 -47.3 62 64 A A H > S+ 0 0 8 1,-0.3 4,-1.0 2,-0.2 3,-0.4 0.932 112.3 49.5 -51.6 -50.1 38.8 13.0 -47.4 63 65 A I H >< S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.3 4,-0.3 0.888 108.9 53.0 -57.3 -39.4 38.8 12.9 -43.6 64 66 A Q H >< S+ 0 0 83 -4,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.847 100.4 62.2 -64.4 -34.1 35.5 14.9 -43.6 65 67 A A H >< S+ 0 0 11 -4,-2.2 3,-2.4 -3,-0.4 313,-0.3 0.781 83.0 82.0 -62.0 -28.0 34.1 12.3 -46.0 66 68 A L G X< S+ 0 0 0 -4,-1.0 3,-1.0 -3,-0.7 -1,-0.3 0.750 80.8 63.4 -50.3 -28.3 34.5 9.7 -43.3 67 69 A I G < S+ 0 0 41 -3,-1.4 -1,-0.3 -4,-0.3 -49,-0.2 0.562 107.8 39.8 -79.7 -5.6 31.3 10.7 -41.6 68 70 A H G < S+ 0 0 14 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.053 98.8 86.6-128.2 25.9 29.1 9.7 -44.5 69 71 A T < - 0 0 12 -3,-1.0 -52,-0.3 308,-0.1 4,-0.2 -0.992 66.1-140.6-130.0 125.6 30.8 6.5 -45.6 70 72 A P + 0 0 45 0, 0.0 -56,-0.2 0, 0.0 206,-0.1 -0.081 60.0 36.5 -74.1 178.1 30.0 3.0 -44.1 71 73 A G S S- 0 0 19 -58,-1.1 2,-0.6 204,-0.4 -54,-0.3 -0.241 103.9 -50.9 75.2-166.5 32.4 0.2 -43.3 72 74 A G > - 0 0 23 1,-0.1 3,-0.8 -60,-0.1 4,-0.1 -0.934 42.6-158.9-111.9 108.1 35.9 0.5 -42.0 73 75 A A T 3 S+ 0 0 22 -2,-0.6 307,-0.1 1,-0.3 -1,-0.1 0.740 97.3 33.7 -56.7 -26.7 37.9 3.0 -44.0 74 76 A F T 3 S- 0 0 10 1,-0.3 -32,-2.7 -3,-0.1 -1,-0.3 0.451 120.6-110.3-107.1 -5.3 41.2 1.5 -42.8 75 77 A G < - 0 0 16 -3,-0.8 -32,-0.7 -34,-0.2 -67,-0.5 -0.122 30.6-140.4 94.1 162.8 39.9 -2.0 -42.5 76 78 A S - 0 0 28 -34,-0.3 2,-0.3 -4,-0.1 -67,-0.1 -0.860 9.3-159.2-148.1-179.9 39.2 -4.1 -39.4 77 79 A C - 0 0 27 -2,-0.3 -67,-2.5 -69,-0.2 -33,-0.1 -0.958 27.1-126.9-158.5 169.5 39.5 -7.7 -38.3 78 80 A R + 0 0 168 -2,-0.3 -67,-0.1 -69,-0.2 -35,-0.1 0.229 57.2 142.1-109.4 13.0 38.1 -10.0 -35.7 79 81 A Y 0 0 48 1,-0.2 -35,-0.2 -69,-0.1 -2,-0.1 -0.276 360.0 360.0 -57.2 131.2 41.5 -11.0 -34.3 80 82 A K 0 0 175 30,-0.0 -1,-0.2 -2,-0.0 -3,-0.0 0.627 360.0 360.0-126.7 360.0 41.6 -11.5 -30.5 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 91 A R > 0 0 210 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -70.8 54.2 -11.1 -27.0 83 92 A E H > + 0 0 41 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.936 360.0 39.8 -70.9 -45.5 51.3 -9.8 -29.0 84 93 A Y H > S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.859 117.5 50.5 -67.4 -36.5 50.9 -7.2 -26.3 85 94 A E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.879 109.6 49.7 -68.6 -38.3 54.7 -6.9 -26.1 86 95 A R H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.803 104.8 59.6 -70.8 -29.4 54.9 -6.5 -29.9 87 96 A L H X S+ 0 0 6 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.902 109.6 41.5 -66.3 -39.8 52.2 -3.8 -29.8 88 97 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.3 0.850 110.2 58.7 -76.3 -33.7 54.3 -1.6 -27.5 89 98 A E H X S+ 0 0 55 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.910 113.2 37.8 -61.7 -40.9 57.5 -2.4 -29.4 90 99 A V H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.783 114.6 55.8 -81.8 -27.5 56.0 -1.0 -32.6 91 100 A F H ><>S+ 0 0 0 -4,-1.6 5,-3.1 -5,-0.2 3,-0.5 0.942 112.0 40.9 -68.4 -47.4 54.2 1.9 -30.8 92 101 A R H ><5S+ 0 0 103 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.811 108.5 60.5 -71.2 -29.5 57.4 3.2 -29.2 93 102 A A H 3<5S+ 0 0 34 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.772 113.3 39.8 -66.6 -23.8 59.4 2.7 -32.4 94 103 A H T <<5S- 0 0 4 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.151 117.8-109.3-110.1 16.4 56.9 5.1 -34.0 95 104 A D T < 5 + 0 0 94 -3,-1.3 -92,-3.5 1,-0.2 2,-0.7 0.903 58.7 164.6 57.6 44.4 56.6 7.6 -31.1 96 105 A I E < +a 3 0A 1 -5,-3.1 -1,-0.2 -94,-0.2 -92,-0.2 -0.846 15.9 156.0 -99.9 113.5 53.1 6.5 -30.3 97 106 A G E + 0 0 3 -94,-2.1 29,-2.1 -2,-0.7 2,-0.4 0.473 61.6 66.4-108.8 -8.1 51.9 7.7 -26.9 98 107 A Y E -ae 4 126A 30 -95,-1.4 -93,-2.6 27,-0.2 2,-0.5 -0.964 56.9-173.3-121.2 131.5 48.2 7.6 -27.7 99 108 A F E -ae 5 127A 0 27,-2.5 29,-1.7 -2,-0.4 2,-0.8 -0.938 0.8-175.7-126.0 106.9 46.1 4.4 -28.5 100 109 A F E -ae 6 128A 2 -95,-3.1 -93,-1.7 -2,-0.5 2,-0.7 -0.868 7.3-171.5-105.8 101.6 42.6 4.9 -29.6 101 110 A Y E -ae 7 129A 2 27,-0.9 29,-2.5 -2,-0.8 2,-0.8 -0.851 4.3-165.0-100.4 115.7 40.9 1.6 -29.9 102 111 A N E +ae 8 130A 0 -95,-2.6 -93,-1.6 -2,-0.7 2,-0.2 -0.799 43.1 86.5-103.1 93.2 37.4 1.7 -31.5 103 112 A G E S- e 0 131A 0 27,-0.9 29,-0.9 -2,-0.8 -93,-0.1 -0.876 70.1 -62.8-162.1-165.2 35.5 -1.5 -31.0 104 113 A G S > S- 0 0 12 -95,-0.3 4,-1.8 -2,-0.2 -1,-0.2 0.143 75.1 -61.9 -79.0-159.5 33.2 -3.8 -29.0 105 114 A G H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 131.0 53.6 -54.0 -54.7 33.9 -5.3 -25.5 106 115 A D H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.921 108.0 52.8 -48.3 -50.0 36.9 -7.4 -26.4 107 116 A S H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 106.4 51.8 -50.7 -54.7 38.6 -4.3 -27.8 108 117 A Q H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.911 110.8 48.7 -50.4 -48.6 38.0 -2.3 -24.7 109 118 A D H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.948 112.5 46.1 -59.5 -52.0 39.6 -5.0 -22.5 110 119 A T H X S+ 0 0 19 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.828 108.0 58.2 -62.1 -30.8 42.7 -5.4 -24.7 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