==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 10-NOV-10 2XXK . COMPND 2 MOLECULE: SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR M.FISCHER,R.E.HUBBARD . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 3 0 0 1 2 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 56 0, 0.0 3,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 168.0 32.5 11.2 -4.2 2 2 A D + 0 0 114 32,-0.4 2,-0.5 1,-0.3 34,-0.2 0.909 360.0 27.7 -58.4 -38.1 32.6 13.6 -7.2 3 3 A Y E S-a 36 0A 49 32,-2.2 34,-2.4 31,-0.2 2,-1.1 -0.906 72.1-170.1-129.7 101.1 29.6 11.7 -8.6 4 4 A D E -a 37 0A 101 -2,-0.5 2,-0.2 -3,-0.4 34,-0.2 -0.806 24.9-176.4 -90.7 92.4 27.4 10.1 -5.9 5 5 A L E -a 38 0A 5 32,-2.9 34,-3.0 -2,-1.1 2,-0.4 -0.625 16.6-146.9-103.5 159.4 25.3 7.9 -8.2 6 6 A K E -a 39 0A 90 32,-0.2 57,-2.2 -2,-0.2 56,-0.8 -0.974 6.0-164.9-129.4 138.4 22.3 5.7 -7.4 7 7 A F E -ab 40 63A 1 32,-2.8 34,-2.7 -2,-0.4 2,-0.3 -0.972 14.8-164.1-126.2 113.4 21.1 2.4 -9.1 8 8 A G E +ab 41 64A 0 55,-2.1 57,-0.7 -2,-0.5 2,-0.3 -0.703 12.7 167.9 -98.8 149.4 17.5 1.3 -8.3 9 9 A M - 0 0 2 32,-2.3 35,-2.3 -2,-0.3 36,-0.4 -0.991 42.0-137.1-156.6 151.6 16.0 -2.1 -8.8 10 10 A N S S+ 0 0 38 -2,-0.3 -1,-0.1 33,-0.3 38,-0.0 0.772 82.6 93.3 -70.2 -39.4 13.0 -4.3 -8.0 11 11 A A S S- 0 0 8 32,-0.1 32,-2.4 31,-0.1 33,-0.3 -0.261 74.4-126.7 -58.4 152.0 15.3 -7.3 -7.4 12 12 A G > - 0 0 5 30,-0.2 3,-1.7 31,-0.1 6,-0.4 -0.252 28.5 -87.0 -97.5-177.5 16.4 -7.9 -3.8 13 13 A T T 3 S+ 0 0 88 1,-0.3 -2,-0.1 5,-0.1 -1,-0.0 0.611 122.7 53.6 -69.6 -12.8 19.8 -8.4 -2.1 14 14 A S T 3 S+ 0 0 75 180,-0.2 -1,-0.3 4,-0.0 2,-0.2 0.275 92.5 106.2 -99.2 8.7 19.9 -12.2 -2.7 15 15 A S S <> S- 0 0 3 -3,-1.7 4,-2.1 1,-0.1 5,-0.1 -0.481 76.6-125.1 -95.2 159.1 19.3 -11.8 -6.5 16 16 A N H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 112.3 58.0 -58.8 -42.2 21.5 -12.2 -9.5 17 17 A E H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 107.7 46.2 -57.9 -46.4 20.6 -8.7 -10.6 18 18 A Y H > S+ 0 0 43 -6,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.917 111.2 51.9 -65.0 -42.8 21.9 -7.3 -7.3 19 19 A K H X S+ 0 0 79 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.912 112.7 45.5 -59.0 -42.9 25.2 -9.4 -7.6 20 20 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.909 110.9 52.5 -70.7 -36.2 25.8 -8.1 -11.1 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.873 107.3 53.8 -64.9 -35.6 25.0 -4.5 -10.1 22 22 A E H X S+ 0 0 97 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.911 107.7 49.5 -62.7 -42.7 27.5 -4.9 -7.3 23 23 A M H X S+ 0 0 63 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.946 112.4 48.7 -60.3 -45.1 30.1 -6.0 -9.8 24 24 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.928 111.6 48.7 -57.4 -52.0 29.2 -2.9 -11.9 25 25 A A H X S+ 0 0 14 -4,-2.8 4,-2.3 1,-0.2 13,-0.3 0.887 112.2 48.5 -58.2 -43.4 29.5 -0.6 -9.0 26 26 A K H X S+ 0 0 125 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.925 112.5 47.2 -68.6 -41.5 32.9 -2.0 -7.9 27 27 A E H X S+ 0 0 20 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.920 112.0 50.2 -67.3 -43.6 34.4 -1.8 -11.4 28 28 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 8,-0.3 0.930 111.6 48.0 -61.2 -46.7 33.1 1.8 -11.9 29 29 A K H <>S+ 0 0 102 -4,-2.3 5,-2.6 -5,-0.2 6,-0.2 0.931 116.7 43.4 -58.2 -46.4 34.5 2.9 -8.5 30 30 A E H ><5S+ 0 0 112 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.964 117.5 42.6 -64.5 -51.6 37.9 1.3 -9.2 31 31 A K H 3<5S+ 0 0 124 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.700 111.0 55.8 -79.6 -18.4 38.4 2.4 -12.9 32 32 A S T ><5S- 0 0 4 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.3 0.309 111.5-121.2 -83.7 3.4 37.1 5.9 -12.2 33 33 A Q T < 5S- 0 0 180 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.838 72.0 -53.9 55.4 37.5 39.8 6.2 -9.5 34 34 A G T 3 + 0 0 10 0, 0.0 3,-1.7 0, 0.0 -30,-0.2 -0.089 45.5 45.1 -85.7-177.0 17.0 -2.7 -4.2 43 43 A S T 3 S- 0 0 62 -32,-2.4 -33,-0.3 1,-0.3 -31,-0.1 0.764 122.5 -68.6 55.1 35.3 13.6 -4.2 -3.4 44 44 A S T > S+ 0 0 23 -35,-2.3 3,-1.7 -33,-0.3 -1,-0.3 0.761 84.7 149.3 62.2 24.4 11.6 -1.4 -5.0 45 45 A Q T < S+ 0 0 118 -3,-1.7 3,-0.1 -36,-0.4 -2,-0.1 0.830 78.5 40.7 -55.1 -33.0 12.6 1.1 -2.3 46 46 A L T 3 S- 0 0 56 1,-0.5 -1,-0.3 -5,-0.3 2,-0.2 0.350 130.4 -87.2 -95.2 2.3 12.3 3.8 -4.9 47 47 A G < - 0 0 27 -3,-1.7 -1,-0.5 -38,-0.1 -38,-0.1 -0.702 62.4 -49.3 113.0-175.3 9.2 2.4 -6.5 48 48 A D > - 0 0 51 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.075 65.3 -85.6 -86.5-175.7 8.7 -0.1 -9.2 49 49 A D H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.814 128.7 55.1 -65.6 -31.6 10.4 -0.2 -12.6 50 50 A R H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 112.6 44.3 -61.8 -44.5 7.8 2.1 -14.1 51 51 A A H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.917 112.8 50.9 -66.0 -46.0 8.6 4.6 -11.4 52 52 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 106.2 54.6 -67.1 -34.2 12.3 4.2 -11.7 53 53 A L H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.907 107.7 50.9 -63.3 -40.5 12.2 4.7 -15.5 54 54 A K H X S+ 0 0 129 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.891 108.2 53.3 -61.9 -36.4 10.4 8.1 -14.8 55 55 A Q H X>S+ 0 0 40 -4,-2.0 5,-1.4 2,-0.2 6,-1.4 0.877 107.2 49.6 -71.2 -34.4 13.2 8.9 -12.3 56 56 A L H <5S+ 0 0 0 -4,-2.2 165,-0.5 4,-0.2 3,-0.3 0.935 110.6 51.7 -63.0 -42.1 15.9 8.3 -14.9 57 57 A K H <5S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.932 114.6 41.6 -57.8 -46.2 14.0 10.5 -17.4 58 58 A D H <5S- 0 0 91 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.637 113.1-120.5 -75.2 -17.1 13.8 13.3 -14.8 59 59 A G T <5S+ 0 0 24 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.1 0.487 82.1 115.3 84.1 12.5 17.4 12.7 -13.7 60 60 A S S - 0 0 37 -2,-0.3 3,-1.2 147,-0.2 4,-0.5 -0.637 28.5-120.0 -75.5 151.5 13.3 -5.4 -19.9 68 68 A S G > S+ 0 0 0 1,-0.2 3,-1.6 -2,-0.2 4,-0.2 0.917 115.8 60.5 -52.5 -41.0 13.0 -4.5 -23.6 69 69 A A G > S+ 0 0 4 1,-0.3 3,-2.0 12,-0.2 -1,-0.2 0.759 87.6 71.9 -60.5 -27.3 9.3 -5.6 -23.2 70 70 A R G X S+ 0 0 15 -3,-1.2 3,-1.8 1,-0.3 -1,-0.3 0.750 81.1 73.3 -65.1 -22.3 8.7 -2.9 -20.6 71 71 A F G X> + 0 0 1 -3,-1.6 4,-2.4 -4,-0.5 3,-1.8 0.597 69.5 89.8 -72.4 -2.2 8.9 -0.3 -23.4 72 72 A Q G <4 S+ 0 0 27 -3,-2.0 -1,-0.3 6,-0.3 7,-0.2 0.765 72.9 73.4 -58.7 -21.4 5.5 -1.5 -24.5 73 73 A L G <4 S+ 0 0 59 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.784 113.8 20.7 -61.7 -27.5 4.2 1.2 -22.1 74 74 A F T <4 S+ 0 0 90 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.735 134.5 34.4-112.7 -30.8 5.3 3.8 -24.7 75 75 A Y S >< S- 0 0 21 -4,-2.4 3,-2.5 1,-0.1 -1,-0.3 -0.935 70.4-156.9-131.6 100.1 5.5 1.9 -28.0 76 76 A P G > S+ 0 0 74 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.783 88.8 63.3 -58.9 -34.3 2.8 -0.8 -28.1 77 77 A E G > S+ 0 0 14 1,-0.3 3,-1.9 2,-0.1 -5,-0.1 0.717 84.3 77.0 -57.7 -23.6 4.6 -2.9 -30.7 78 78 A A G X S+ 0 0 0 -3,-2.5 3,-1.6 1,-0.3 -6,-0.3 0.626 70.6 85.8 -69.5 -7.5 7.5 -3.4 -28.2 79 79 A A G X> + 0 0 7 -3,-1.8 3,-2.5 1,-0.3 4,-0.7 0.719 67.2 85.3 -57.5 -22.2 5.1 -6.0 -26.5 80 80 A V G X4 S+ 0 0 0 -3,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.816 76.7 65.3 -51.4 -33.9 6.5 -8.4 -29.1 81 81 A F G <4 S+ 0 0 10 -3,-1.6 130,-0.3 1,-0.2 -1,-0.3 0.642 113.8 30.1 -60.3 -24.9 9.4 -9.0 -26.7 82 82 A A G <4 S+ 0 0 3 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.211 77.3 128.5-126.9 14.7 7.0 -10.6 -24.2 83 83 A L S XX S- 0 0 3 -4,-0.7 3,-2.1 -3,-0.7 4,-0.6 -0.604 78.4 -97.9 -62.9 122.4 4.2 -12.2 -26.3 84 84 A P T 34 S- 0 0 0 0, 0.0 126,-0.2 0, 0.0 125,-0.1 -0.214 98.4 -0.6 -56.6 132.1 4.3 -15.6 -24.8 85 85 A Y T 34 S+ 0 0 37 124,-1.8 125,-0.1 2,-0.2 -2,-0.1 0.352 102.1 104.5 77.3 -3.1 6.3 -18.1 -26.9 86 86 A V T <4 S+ 0 0 19 -3,-2.1 2,-0.6 123,-0.2 -5,-0.1 0.975 71.3 56.4 -75.7 -54.9 7.3 -15.7 -29.6 87 87 A I S < S- 0 0 16 -4,-0.6 -2,-0.2 -7,-0.3 -1,-0.1 -0.682 74.5-162.4 -77.4 118.1 10.9 -15.1 -28.6 88 88 A S - 0 0 83 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.852 56.6 -22.0 -69.8 -43.8 12.5 -18.5 -28.6 89 89 A N S > S- 0 0 46 122,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.930 73.0 -82.8-159.9 176.8 15.6 -18.0 -26.6 90 90 A Y H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.874 121.2 63.3 -67.0 -33.3 18.1 -15.4 -25.4 91 91 A N H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 107.3 44.5 -52.1 -46.5 20.0 -15.6 -28.7 92 92 A V H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 109.5 55.5 -65.4 -44.1 16.9 -14.3 -30.4 93 93 A A H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.885 108.2 49.2 -57.8 -38.5 16.3 -11.6 -27.7 94 94 A Q H X S+ 0 0 75 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.941 115.1 41.9 -66.2 -48.1 19.8 -10.2 -28.4 95 95 A K H X S+ 0 0 77 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.848 109.7 59.7 -70.9 -30.5 19.4 -10.1 -32.1 96 96 A A H < S+ 0 0 0 -4,-2.8 7,-0.4 -5,-0.2 4,-0.3 0.904 114.2 36.8 -60.3 -44.3 15.8 -8.7 -31.8 97 97 A L H < S+ 0 0 0 -4,-1.7 10,-0.3 -5,-0.2 3,-0.2 0.933 132.1 22.5 -75.4 -47.3 17.1 -5.7 -29.9 98 98 A F H < S+ 0 0 78 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.687 124.9 43.4 -98.6 -21.2 20.4 -4.9 -31.6 99 99 A D S < S+ 0 0 107 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 0.033 95.7 77.1-124.3 23.1 20.1 -6.5 -35.1 100 100 A T S > S- 0 0 10 -4,-0.3 4,-2.5 -3,-0.2 5,-0.2 -0.939 77.3-126.0-122.7 154.7 16.7 -5.6 -36.3 101 101 A E H > S+ 0 0 133 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.924 113.8 54.0 -61.4 -39.0 15.4 -2.3 -37.7 102 102 A F H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 111.5 43.7 -58.5 -50.8 12.7 -2.4 -35.1 103 103 A G H > S+ 0 0 0 -7,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.924 111.8 52.0 -66.3 -43.1 15.1 -2.9 -32.2 104 104 A K H X S+ 0 0 88 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.886 111.2 48.2 -59.8 -41.8 17.6 -0.3 -33.4 105 105 A D H X S+ 0 0 79 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.881 107.9 55.4 -65.0 -39.0 14.8 2.3 -33.7 106 106 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 105.9 51.5 -59.2 -43.0 13.5 1.4 -30.2 107 107 A I H X S+ 0 0 41 -4,-2.3 4,-1.6 -10,-0.3 -1,-0.2 0.917 110.8 48.5 -62.5 -42.2 17.0 2.1 -28.8 108 108 A K H X S+ 0 0 152 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.917 110.8 50.5 -65.3 -38.5 17.0 5.5 -30.5 109 109 A K H X>S+ 0 0 28 -4,-2.5 4,-3.0 1,-0.2 5,-1.1 0.870 104.4 57.5 -65.7 -41.1 13.5 6.3 -29.2 110 110 A M H X5S+ 0 0 0 -4,-2.5 6,-2.0 -5,-0.2 4,-0.7 0.917 113.0 41.8 -56.4 -39.4 14.5 5.4 -25.6 111 111 A D H X5S+ 0 0 82 -4,-1.6 4,-1.0 4,-0.2 -2,-0.2 0.973 122.1 37.6 -69.0 -55.6 17.2 8.0 -25.9 112 112 A K H <5S+ 0 0 162 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.885 131.5 23.0 -69.7 -42.5 15.2 10.7 -27.6 113 113 A D H <5S+ 0 0 57 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.776 129.6 35.9 -97.6 -32.9 11.9 10.3 -26.0 114 114 A L H < S- 0 0 48 133,-0.2 3,-1.5 -3,-0.1 4,-0.3 -0.955 85.1 -86.4-154.3 172.3 -1.7 -29.8 -18.0 138 138 A I G > S+ 0 0 43 133,-0.3 3,-2.0 -2,-0.3 4,-0.5 0.815 119.1 70.9 -56.1 -27.6 -3.3 -26.6 -19.3 139 139 A A G > S+ 0 0 69 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.853 89.2 61.3 -57.1 -36.8 -6.6 -27.8 -17.7 140 140 A D G < S+ 0 0 45 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.649 93.5 64.9 -67.1 -16.7 -5.0 -27.1 -14.2 141 141 A M G X S+ 0 0 0 -3,-2.0 3,-2.1 -4,-0.3 -1,-0.2 0.654 72.8 114.9 -72.0 -22.0 -4.7 -23.4 -15.2 142 142 A K T < S- 0 0 158 -3,-1.4 21,-0.2 -4,-0.5 3,-0.1 -0.329 96.3 -10.0 -66.6 121.8 -8.4 -22.9 -15.4 143 143 A G T 3 S+ 0 0 33 19,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.513 90.0 152.6 70.0 0.1 -9.4 -20.6 -12.7 144 144 A L < - 0 0 0 -3,-2.1 20,-2.9 18,-0.1 2,-1.3 -0.496 52.0-124.3 -60.3 130.0 -6.0 -20.6 -11.0 145 145 A K E -g 164 0B 104 -2,-0.2 38,-2.3 18,-0.2 39,-1.3 -0.683 39.1-172.5 -80.7 95.7 -5.6 -17.3 -9.2 146 146 A L E -gh 165 184B 0 18,-1.7 20,-1.9 -2,-1.3 39,-0.2 -0.855 17.0-141.2-103.3 111.9 -2.4 -16.3 -10.9 147 147 A R E -g 166 0B 4 37,-2.8 39,-0.3 -2,-0.7 35,-0.0 -0.481 25.7-178.9 -64.9 140.8 -0.5 -13.3 -9.7 148 148 A V E -g 167 0B 0 18,-2.0 20,-2.1 -2,-0.2 39,-0.1 -0.961 30.2-106.6-130.7 155.8 1.1 -11.3 -12.5 149 149 A P - 0 0 22 0, 0.0 2,-2.1 0, 0.0 20,-0.1 -0.285 52.8 -88.1 -66.7 169.5 3.2 -8.1 -12.6 150 150 A D S S+ 0 0 84 18,-0.1 2,-0.3 17,-0.1 3,-0.1 -0.544 90.5 117.6 -84.1 75.1 1.4 -5.0 -13.8 151 151 A A > - 0 0 10 -2,-2.1 4,-2.2 1,-0.1 3,-0.3 -0.988 66.2-133.7-145.0 133.3 2.3 -5.7 -17.4 152 152 A A H > S+ 0 0 59 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.838 103.7 53.3 -60.3 -38.3 -0.1 -6.3 -20.3 153 153 A T H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 110.4 45.7 -68.5 -38.9 1.8 -9.2 -21.7 154 154 A N H > S+ 0 0 6 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.890 111.5 53.4 -68.5 -41.6 1.8 -11.2 -18.4 155 155 A L H X S+ 0 0 50 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.927 110.6 48.6 -55.1 -44.8 -1.9 -10.4 -17.8 156 156 A A H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.880 105.3 56.5 -66.7 -40.4 -2.5 -11.8 -21.3 157 157 A Y H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 6,-0.2 0.960 112.2 43.5 -48.6 -54.3 -0.5 -14.9 -20.6 158 158 A A H X>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-0.5 0.941 115.9 47.3 -60.3 -47.9 -2.7 -15.6 -17.6 159 159 A K H ><5S+ 0 0 134 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.939 112.0 48.0 -58.9 -52.5 -6.0 -14.7 -19.4 160 160 A Y H 3<5S+ 0 0 56 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.799 108.7 52.3 -72.1 -24.9 -5.3 -16.8 -22.6 161 161 A V H 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.3 -20,-0.2 0.528 123.1-103.8 -84.6 -2.9 -4.3 -20.0 -20.7 162 162 A G T <<5S+ 0 0 19 -3,-1.3 -19,-2.4 -4,-0.5 -3,-0.2 0.469 75.7 132.9 100.7 4.1 -7.5 -19.7 -18.7 163 163 A A < - 0 0 9 -5,-2.1 -1,-0.3 -21,-0.2 -18,-0.2 -0.275 59.4-117.7 -79.3 172.2 -6.2 -18.4 -15.4 164 164 A S E -g 145 0B 59 -20,-2.9 -18,-1.7 -23,-0.2 2,-0.1 -0.911 36.4-145.3-112.3 103.0 -7.7 -15.6 -13.3 165 165 A P E -g 146 0B 46 0, 0.0 -18,-0.2 0, 0.0 -20,-0.1 -0.428 18.7-171.3 -79.1 149.9 -5.0 -12.9 -13.1 166 166 A T E -g 147 0B 56 -20,-1.9 -18,-2.0 -2,-0.1 2,-0.3 -0.945 17.5-147.4-129.3 109.3 -4.3 -10.6 -10.1 167 167 A P E +g 148 0B 61 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.574 32.1 150.0 -73.6 139.4 -1.8 -7.9 -10.9 168 168 A M - 0 0 37 -20,-2.1 -18,-0.1 -2,-0.3 5,-0.1 -0.970 47.5 -87.9-163.2 156.1 0.4 -6.8 -8.0 169 169 A A > - 0 0 47 -2,-0.3 3,-1.7 -20,-0.1 4,-0.5 -0.257 38.7-115.3 -61.1 149.1 3.8 -5.4 -7.4 170 170 A F G > S+ 0 0 34 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.861 113.8 62.0 -52.9 -39.5 6.8 -7.8 -6.9 171 171 A S G 3 S+ 0 0 63 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.736 103.3 49.3 -61.1 -25.1 7.2 -6.7 -3.4 172 172 A E G <> S+ 0 0 111 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.489 87.3 88.4 -92.1 -8.0 3.7 -7.9 -2.4 173 173 A V H <> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.5 5,-0.2 0.908 77.8 56.9 -67.5 -43.8 4.0 -11.3 -3.9 174 174 A Y H > S+ 0 0 63 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.914 110.8 44.9 -54.1 -48.7 5.5 -13.4 -1.1 175 175 A L H > S+ 0 0 108 -4,-0.3 4,-2.4 1,-0.2 6,-0.3 0.861 110.3 55.1 -64.3 -39.1 2.6 -12.5 1.3 176 176 A A H <>S+ 0 0 8 -4,-1.6 6,-1.6 2,-0.2 5,-1.2 0.882 113.2 41.6 -60.6 -40.1 0.0 -13.1 -1.3 177 177 A L H ><5S+ 0 0 1 -4,-2.3 3,-1.0 2,-0.2 -2,-0.2 0.925 112.6 53.4 -71.3 -43.8 1.3 -16.6 -1.9 178 178 A Q H 3<5S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.837 115.4 40.3 -57.8 -44.5 1.8 -17.3 1.8 179 179 A T T 3<5S- 0 0 84 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.457 108.4-124.0 -83.9 -3.0 -1.7 -16.4 2.6 180 180 A N T < 5 + 0 0 89 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.676 67.4 139.4 51.3 33.2 -3.2 -18.1 -0.5 181 181 A A S > -E 127 0B 3 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.302 49.7-106.0 -64.0 160.7 12.2 -17.2 -13.7 189 189 A L H 3> S+ 0 0 4 -63,-0.6 4,-2.2 1,-0.3 5,-0.2 0.849 118.4 60.5 -55.8 -39.7 13.7 -19.9 -11.5 190 190 A A H 3> S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.849 106.5 46.7 -61.6 -34.1 16.3 -17.4 -10.2 191 191 A A H <> S+ 0 0 11 -3,-0.9 4,-2.6 2,-0.2 6,-0.4 0.858 105.8 57.3 -75.9 -36.0 13.6 -15.2 -8.8 192 192 A V H <>S+ 0 0 3 -4,-1.8 5,-1.3 2,-0.2 6,-1.0 0.912 115.1 41.1 -55.8 -42.1 11.7 -18.1 -7.3 193 193 A Q H ><5S+ 0 0 70 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.966 115.0 48.5 -66.3 -55.4 15.0 -18.7 -5.4 194 194 A A H 3<5S+ 0 0 20 -4,-2.9 -2,-0.2 1,-0.3 -180,-0.2 0.883 118.1 39.3 -58.4 -42.1 15.8 -15.1 -4.6 195 195 A Q T 3<5S- 0 0 42 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.444 107.2-126.0 -83.9 -4.2 12.4 -14.2 -3.3 196 196 A K T X 5 + 0 0 101 -3,-1.4 3,-2.0 -4,-0.2 4,-0.3 0.772 55.9 152.7 57.8 36.8 12.1 -17.5 -1.5 197 197 A F G > < + 0 0 0 -5,-1.3 3,-1.6 -6,-0.4 4,-0.3 0.770 62.4 73.8 -65.4 -23.9 8.8 -18.2 -3.2 198 198 A Y G 3 S+ 0 0 27 -6,-1.0 3,-0.3 1,-0.3 -1,-0.3 0.681 86.3 64.6 -58.0 -22.8 9.7 -21.9 -2.8 199 199 A E G < S+ 0 0 102 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.691 114.3 29.2 -69.4 -20.5 8.9 -21.5 0.8 200 200 A V S < S+ 0 0 26 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.124 111.8 69.7-133.4 17.8 5.3 -20.8 0.0 201 201 A Q - 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