==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-NOV-10 2XWO . 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) . 13668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 75.3 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 . 25 8.1 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 38.3 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 2 1 0 2 1 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 . 1 1 1 1 0 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 55 0, 0.0 3,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 169.0 32.5 11.6 -4.2 2 2 A D + 0 0 114 32,-0.4 2,-0.5 1,-0.3 34,-0.2 0.912 360.0 28.8 -58.7 -39.8 32.6 13.9 -7.2 3 3 A Y E S-a 36 0A 50 32,-2.4 34,-2.4 31,-0.2 2,-1.1 -0.902 71.5-172.4-126.6 100.9 29.7 11.9 -8.6 4 4 A D E -a 37 0A 101 -2,-0.5 2,-0.2 -3,-0.4 34,-0.2 -0.808 25.6-178.2 -90.6 93.9 27.5 10.4 -5.9 5 5 A L E -a 38 0A 6 32,-2.8 34,-2.8 -2,-1.1 2,-0.4 -0.633 18.0-144.7-105.4 161.2 25.3 8.3 -8.2 6 6 A K E -a 39 0A 94 32,-0.2 57,-2.2 -2,-0.2 56,-0.9 -0.969 6.0-164.0-130.8 137.4 22.3 6.0 -7.4 7 7 A F E -ab 40 63A 1 32,-2.8 34,-2.6 -2,-0.4 2,-0.3 -0.977 15.6-163.3-124.7 111.0 21.1 2.7 -9.1 8 8 A G E +ab 41 64A 0 55,-2.3 57,-0.7 -2,-0.5 2,-0.3 -0.741 13.4 167.1 -96.8 148.7 17.6 1.6 -8.3 9 9 A M - 0 0 2 32,-2.2 35,-2.0 -2,-0.3 36,-0.4 -0.995 40.6-139.3-155.8 153.9 16.0 -1.8 -8.8 10 10 A N S S+ 0 0 44 -2,-0.3 -1,-0.1 33,-0.3 38,-0.0 0.772 81.3 91.7 -82.0 -30.8 13.0 -3.8 -7.9 11 11 A A S S- 0 0 9 32,-0.1 32,-2.4 31,-0.1 33,-0.3 -0.257 75.6-122.7 -61.9 155.8 15.1 -7.0 -7.3 12 12 A G > - 0 0 5 30,-0.2 3,-1.8 31,-0.1 6,-0.4 -0.296 27.9 -88.4 -98.6-176.7 16.4 -7.6 -3.7 13 13 A T T 3 S+ 0 0 85 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.609 121.8 55.3 -74.0 -11.9 19.7 -8.1 -2.1 14 14 A S T 3 S+ 0 0 80 180,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.308 91.8 105.3 -95.4 4.2 19.8 -11.9 -2.6 15 15 A S S <> S- 0 0 3 -3,-1.8 4,-2.1 1,-0.1 5,-0.1 -0.485 77.2-124.2 -88.8 160.5 19.3 -11.6 -6.4 16 16 A N H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 112.9 57.9 -58.6 -42.5 21.5 -12.0 -9.5 17 17 A E H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 107.2 46.1 -59.2 -46.9 20.6 -8.5 -10.6 18 18 A Y H > S+ 0 0 45 -6,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.921 111.4 52.8 -61.9 -43.4 21.9 -7.0 -7.3 19 19 A K H X S+ 0 0 81 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.900 111.8 44.7 -58.8 -45.6 25.1 -9.1 -7.5 20 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.881 111.0 53.8 -68.7 -38.7 25.8 -7.9 -11.0 21 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.879 106.1 53.9 -62.0 -36.5 25.0 -4.3 -10.0 22 22 A E H X S+ 0 0 95 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 108.4 49.3 -62.4 -42.2 27.5 -4.6 -7.2 23 23 A M H X S+ 0 0 64 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.943 111.2 49.1 -60.3 -49.3 30.1 -5.7 -9.7 24 24 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.939 111.8 48.6 -51.7 -52.4 29.3 -2.7 -11.9 25 25 A A H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 13,-0.3 0.904 111.8 49.8 -57.8 -42.1 29.5 -0.3 -8.9 26 26 A K H X S+ 0 0 126 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.922 112.2 46.1 -64.8 -46.5 32.9 -1.8 -7.9 27 27 A E H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.908 112.6 49.5 -64.7 -47.4 34.4 -1.5 -11.3 28 28 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 8,-0.3 0.940 112.1 48.3 -58.9 -46.3 33.2 2.0 -11.9 29 29 A K H <>S+ 0 0 102 -4,-2.4 5,-2.6 -5,-0.2 6,-0.2 0.927 117.7 42.4 -59.6 -44.1 34.5 3.2 -8.4 30 30 A E H ><5S+ 0 0 111 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.948 117.7 42.7 -66.2 -50.5 37.9 1.6 -9.1 31 31 A K H 3<5S+ 0 0 113 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.710 111.2 55.0 -78.9 -18.1 38.4 2.6 -12.8 32 32 A S T ><5S- 0 0 1 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.3 0.276 112.5-119.9 -86.6 3.9 37.1 6.2 -12.2 33 33 A Q T < 5S- 0 0 159 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.847 71.1 -53.6 58.4 36.3 39.8 6.5 -9.5 34 34 A G T 3 + 0 0 8 0, 0.0 3,-1.7 0, 0.0 -30,-0.2 -0.103 45.5 44.6 -83.5-177.5 17.0 -2.4 -4.1 43 43 A S T 3 S- 0 0 58 -32,-2.4 -33,-0.3 1,-0.3 -31,-0.1 0.774 122.8 -67.5 55.1 35.1 13.6 -3.8 -3.4 44 44 A S T > S+ 0 0 29 -35,-2.0 3,-2.3 -3,-0.3 -1,-0.3 0.711 84.7 150.8 66.5 19.1 11.5 -1.1 -5.0 45 45 A Q T < S+ 0 0 132 -3,-1.7 -2,-0.1 -36,-0.4 3,-0.1 0.877 80.5 37.6 -48.0 -40.2 12.7 1.4 -2.3 46 46 A L T 3 S- 0 0 59 1,-0.4 -1,-0.3 -5,-0.3 2,-0.2 0.274 131.9 -85.2 -95.0 10.1 12.3 4.2 -4.9 47 47 A G < - 0 0 27 -3,-2.3 -1,-0.4 -38,-0.1 -3,-0.1 -0.581 62.5 -53.9 104.8-176.7 9.1 2.7 -6.5 48 48 A D > - 0 0 63 -2,-0.2 4,-2.9 -3,-0.1 5,-0.2 -0.051 65.2 -81.2 -88.1-170.3 8.9 0.1 -9.2 49 49 A D H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.867 129.7 53.0 -63.0 -39.8 10.5 -0.0 -12.7 50 50 A R H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 113.7 45.0 -58.8 -43.3 7.8 2.3 -14.2 51 51 A A H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.929 112.6 50.5 -68.5 -41.1 8.6 4.8 -11.4 52 52 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.860 105.7 55.8 -68.2 -34.4 12.3 4.4 -11.7 53 53 A L H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.882 106.7 51.2 -60.1 -39.8 12.2 5.0 -15.5 54 54 A K H X S+ 0 0 131 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.874 108.2 52.7 -61.5 -39.4 10.4 8.3 -14.8 55 55 A Q H X>S+ 0 0 39 -4,-1.7 4,-1.6 2,-0.2 5,-1.4 0.867 107.2 50.2 -69.1 -36.1 13.2 9.2 -12.4 56 56 A L H <5S+ 0 0 0 -4,-2.1 165,-0.5 4,-0.2 -2,-0.2 0.945 110.4 51.6 -62.7 -44.0 15.9 8.5 -15.0 57 57 A K H <5S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.924 113.9 43.0 -54.2 -49.4 14.0 10.7 -17.4 58 58 A D H <5S- 0 0 84 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.747 113.5-118.3 -71.3 -23.9 13.8 13.6 -14.9 59 59 A G T <5S+ 0 0 21 -4,-1.6 -3,-0.2 2,-0.2 -4,-0.1 0.474 83.9 113.6 94.7 7.0 17.4 13.1 -13.8 60 60 A S S > - 0 0 37 -2,-0.3 3,-1.2 147,-0.2 4,-0.5 -0.605 28.6-120.0 -74.9 152.1 13.3 -5.2 -19.8 68 68 A S G >4 S+ 0 0 0 1,-0.2 3,-1.5 -2,-0.2 4,-0.1 0.922 115.9 59.8 -53.1 -40.1 13.1 -4.4 -23.6 69 69 A A G >4 S+ 0 0 4 1,-0.3 3,-1.9 12,-0.2 -1,-0.2 0.728 87.9 72.7 -61.0 -28.5 9.4 -5.4 -23.3 70 70 A R G X4 S+ 0 0 13 -3,-1.2 3,-1.9 1,-0.3 -1,-0.3 0.799 81.1 72.7 -63.4 -22.6 8.7 -2.7 -20.6 71 71 A F G XX + 0 0 1 -3,-1.5 4,-2.5 -4,-0.5 3,-1.6 0.567 69.2 89.6 -73.1 -1.6 9.0 -0.0 -23.4 72 72 A Q G <4 S+ 0 0 27 -3,-1.9 -1,-0.3 6,-0.3 7,-0.2 0.749 73.4 73.2 -59.0 -22.5 5.6 -1.3 -24.6 73 73 A L G <4 S+ 0 0 65 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.847 114.1 20.7 -59.1 -31.2 4.3 1.4 -22.1 74 74 A F T <4 S+ 0 0 87 -3,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.740 134.9 34.1-109.7 -33.0 5.5 4.0 -24.7 75 75 A Y >< - 0 0 22 -4,-2.5 3,-2.4 1,-0.1 -1,-0.3 -0.919 69.5-157.4-129.6 102.3 5.6 2.1 -28.0 76 76 A P G > S+ 0 0 75 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.785 88.4 63.7 -58.6 -31.8 3.0 -0.5 -28.2 77 77 A E G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 -5,-0.1 0.708 85.1 76.6 -64.9 -18.3 4.8 -2.6 -30.8 78 78 A A G X S+ 0 0 0 -3,-2.4 3,-1.7 1,-0.3 -6,-0.3 0.618 70.0 84.8 -71.2 -6.6 7.5 -3.2 -28.3 79 79 A A G X> + 0 0 6 -3,-1.9 3,-2.5 1,-0.3 4,-0.7 0.709 66.9 86.7 -63.1 -16.7 5.2 -5.8 -26.6 80 80 A V G X4 S+ 0 0 0 -3,-1.8 3,-0.6 1,-0.3 7,-0.3 0.811 76.7 66.2 -50.6 -31.0 6.7 -8.2 -29.2 81 81 A F G <4 S+ 0 0 10 -3,-1.7 130,-0.3 1,-0.2 -1,-0.3 0.678 113.7 28.0 -66.0 -20.2 9.5 -8.8 -26.7 82 82 A A G <4 S+ 0 0 3 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.197 77.0 128.8-132.0 15.5 7.1 -10.4 -24.3 83 83 A L S XX S- 0 0 3 -4,-0.7 3,-2.1 -3,-0.6 4,-0.6 -0.625 79.2 -96.5 -62.8 122.5 4.2 -11.9 -26.4 84 84 A P T 34 S- 0 0 0 0, 0.0 126,-0.2 0, 0.0 125,-0.1 -0.189 98.9 -0.8 -58.0 135.2 4.3 -15.4 -24.9 85 85 A Y T 34 S+ 0 0 37 124,-1.9 125,-0.1 2,-0.2 -2,-0.1 0.309 102.3 104.6 74.4 -3.0 6.4 -17.9 -26.9 86 86 A V T <4 S+ 0 0 18 -3,-2.1 2,-0.6 123,-0.2 -5,-0.1 0.982 71.5 56.4 -71.1 -57.9 7.3 -15.4 -29.7 87 87 A I S < S- 0 0 15 -4,-0.6 -2,-0.2 -7,-0.3 -1,-0.1 -0.686 75.3-161.8 -73.7 118.6 11.0 -14.8 -28.7 88 88 A S - 0 0 82 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.865 56.8 -26.2 -74.3 -43.1 12.5 -18.3 -28.7 89 89 A N S > S- 0 0 45 122,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.920 73.3 -78.7-159.8-179.7 15.6 -17.7 -26.6 90 90 A Y H > S+ 0 0 27 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.863 121.3 62.2 -64.1 -34.1 18.2 -15.2 -25.5 91 91 A N H > S+ 0 0 52 1,-0.2 4,-2.0 215,-0.2 -1,-0.2 0.912 108.0 45.2 -53.1 -45.7 20.1 -15.3 -28.8 92 92 A V H > S+ 0 0 4 -3,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 109.3 55.3 -66.6 -43.3 16.9 -14.1 -30.4 93 93 A A H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.874 108.8 48.0 -57.3 -38.2 16.4 -11.4 -27.8 94 94 A Q H X S+ 0 0 75 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.937 115.4 43.3 -68.0 -45.1 19.9 -10.0 -28.4 95 95 A K H X S+ 0 0 82 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.858 110.0 57.8 -69.7 -34.3 19.4 -9.9 -32.2 96 96 A A H < S+ 0 0 0 -4,-2.8 7,-0.5 1,-0.2 4,-0.4 0.913 114.7 37.1 -61.0 -43.6 15.9 -8.5 -31.8 97 97 A L H < S+ 0 0 0 -4,-1.7 10,-0.3 -5,-0.2 3,-0.2 0.944 131.4 23.9 -76.2 -46.8 17.2 -5.5 -29.9 98 98 A F H < S+ 0 0 80 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.707 124.8 41.8 -94.9 -22.0 20.5 -4.8 -31.6 99 99 A D S < S+ 0 0 107 -4,-2.3 2,-0.3 -5,-0.3 -1,-0.2 0.029 95.0 78.3-126.1 20.1 20.2 -6.2 -35.1 100 100 A T S > S- 0 0 11 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.917 77.1-125.1-120.1 157.4 16.7 -5.4 -36.4 101 101 A E H > S+ 0 0 133 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.910 114.0 54.9 -63.5 -41.7 15.5 -2.1 -37.8 102 102 A F H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 111.1 42.4 -54.9 -49.8 12.8 -2.2 -35.2 103 103 A G H > S+ 0 0 0 -7,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.901 111.6 53.3 -69.7 -41.9 15.2 -2.6 -32.2 104 104 A K H X S+ 0 0 88 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.905 111.3 47.8 -59.0 -40.2 17.7 -0.0 -33.5 105 105 A D H X S+ 0 0 77 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.894 108.3 54.6 -67.5 -38.0 14.9 2.5 -33.7 106 106 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.899 106.8 51.1 -60.8 -45.2 13.6 1.6 -30.3 107 107 A I H X S+ 0 0 42 -4,-2.2 4,-1.5 -10,-0.3 -1,-0.2 0.915 111.1 48.7 -60.4 -44.3 17.1 2.3 -28.8 108 108 A K H X S+ 0 0 149 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.898 110.7 50.4 -62.1 -42.0 17.2 5.7 -30.6 109 109 A K H X>S+ 0 0 23 -4,-2.5 4,-3.1 2,-0.2 5,-1.0 0.886 104.2 57.6 -65.3 -39.3 13.7 6.6 -29.2 110 110 A M H X5S+ 0 0 0 -4,-2.4 6,-2.0 3,-0.2 4,-0.7 0.902 112.3 42.7 -54.1 -41.6 14.7 5.7 -25.7 111 111 A D H X5S+ 0 0 83 -4,-1.5 4,-0.9 4,-0.2 -2,-0.2 0.974 122.2 37.7 -67.3 -55.7 17.4 8.3 -25.9 112 112 A K H <5S+ 0 0 160 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.862 130.7 22.2 -65.8 -48.0 15.3 11.0 -27.7 113 113 A D H <5S+ 0 0 59 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.800 130.1 36.4 -94.8 -32.5 11.9 10.7 -26.1 114 114 A L H < S- 0 0 48 133,-0.2 3,-1.7 -3,-0.1 4,-0.4 -0.954 85.2 -86.8-158.6 170.3 -1.8 -29.5 -18.2 138 138 A I G > S+ 0 0 44 133,-0.3 3,-1.6 -2,-0.3 4,-0.3 0.792 118.9 72.8 -55.5 -27.2 -3.3 -26.3 -19.4 139 139 A A G > S+ 0 0 68 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.835 87.9 60.8 -58.2 -32.3 -6.6 -27.5 -17.8 140 140 A D G < S+ 0 0 44 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.669 91.8 66.8 -72.6 -15.4 -5.1 -26.8 -14.3 141 141 A M G X S+ 0 0 0 -3,-1.6 3,-1.8 -4,-0.4 -1,-0.3 0.630 71.4 118.4 -75.6 -16.4 -4.7 -23.1 -15.1 142 142 A K T < S- 0 0 157 -3,-1.4 21,-0.2 -4,-0.3 3,-0.1 -0.390 94.3 -9.6 -61.3 118.6 -8.5 -22.7 -15.3 143 143 A G T 3 S+ 0 0 37 19,-2.0 -1,-0.3 1,-0.2 2,-0.2 0.464 91.5 152.7 72.2 1.7 -9.5 -20.2 -12.5 144 144 A L < - 0 0 0 -3,-1.8 20,-3.3 18,-0.1 2,-1.4 -0.454 50.7-127.6 -62.4 127.1 -6.0 -20.3 -11.0 145 145 A K E -h 164 0C 103 -2,-0.2 38,-2.5 18,-0.2 39,-1.2 -0.677 34.8-168.8 -80.0 94.5 -5.5 -16.9 -9.3 146 146 A L E -hi 165 184C 0 18,-1.4 20,-1.9 -2,-1.4 2,-0.2 -0.787 12.6-144.4 -99.4 110.8 -2.2 -16.1 -11.0 147 147 A E E +h 166 0C 5 37,-2.8 39,-0.4 -2,-0.7 35,-0.0 -0.552 29.3 168.2 -71.5 138.3 -0.3 -13.1 -9.6 148 148 A V E -h 167 0C 0 18,-1.6 20,-1.8 -2,-0.2 7,-0.0 -0.967 39.3 -95.0-144.1 156.5 1.6 -11.1 -12.3 149 149 A P - 0 0 38 0, 0.0 2,-2.0 0, 0.0 6,-0.1 -0.344 53.4 -95.3 -63.3 157.3 3.4 -7.7 -12.6 150 150 A N S S+ 0 0 86 18,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.570 85.1 121.6 -78.8 79.4 1.2 -4.9 -13.9 151 151 A A > - 0 0 10 -2,-2.0 4,-2.2 1,-0.1 3,-0.4 -0.986 66.9-129.1-145.5 133.7 2.3 -5.3 -17.5 152 152 A A H > S+ 0 0 57 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.851 105.2 54.5 -57.1 -40.8 -0.1 -6.1 -20.3 153 153 A T H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 110.5 44.5 -65.1 -36.9 1.9 -9.0 -21.7 154 154 A N H > S+ 0 0 5 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.869 112.5 52.2 -75.6 -37.7 1.9 -10.9 -18.3 155 155 A L H X S+ 0 0 46 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 111.2 48.8 -59.8 -41.2 -1.8 -10.1 -17.8 156 156 A A H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.889 105.5 56.5 -69.3 -42.2 -2.5 -11.6 -21.3 157 157 A Y H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 6,-0.2 0.962 112.0 43.2 -47.3 -54.4 -0.4 -14.7 -20.6 158 158 A A H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 4,-0.4 0.930 116.1 48.2 -60.7 -46.9 -2.7 -15.4 -17.5 159 159 A K H ><5S+ 0 0 136 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.943 110.7 48.5 -60.9 -51.7 -5.9 -14.5 -19.5 160 160 A Y H 3<5S+ 0 0 57 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 108.0 52.6 -70.3 -24.0 -5.2 -16.6 -22.6 161 161 A V T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -5,-0.3 -20,-0.2 0.498 123.4-103.5 -85.1 -3.3 -4.3 -19.8 -20.7 162 162 A G T < 5S+ 0 0 21 -3,-1.6 -19,-2.0 -4,-0.4 -3,-0.2 0.472 77.6 132.1 99.6 5.7 -7.6 -19.5 -18.8 163 163 A A < - 0 0 8 -5,-2.3 -1,-0.3 -6,-0.2 -18,-0.2 -0.274 60.3-116.0 -84.5 173.2 -6.2 -18.2 -15.4 164 164 A S E -h 145 0C 57 -20,-3.3 -18,-1.4 -23,-0.2 2,-0.1 -0.910 33.5-145.5-111.8 103.0 -7.5 -15.2 -13.4 165 165 A P E -h 146 0C 47 0, 0.0 -18,-0.2 0, 0.0 -20,-0.1 -0.468 16.4-172.5 -76.3 142.9 -4.7 -12.6 -13.2 166 166 A T E -h 147 0C 53 -20,-1.9 -18,-1.6 -2,-0.1 2,-0.2 -0.935 16.7-147.1-127.8 106.0 -4.1 -10.4 -10.1 167 167 A P E +h 148 0C 59 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 -0.507 29.4 162.6 -72.8 140.6 -1.6 -7.7 -10.7 168 168 A M - 0 0 44 -20,-1.8 -18,-0.3 -2,-0.2 2,-0.2 -0.971 43.8 -91.2-150.2 160.9 0.5 -6.8 -7.7 169 169 A A > - 0 0 59 -2,-0.3 3,-1.8 -20,-0.1 4,-0.5 -0.583 40.2-121.0 -73.3 143.2 3.7 -5.1 -6.6 170 170 A F G > S+ 0 0 36 1,-0.3 3,-1.3 -2,-0.2 4,-0.5 0.853 110.7 59.6 -56.1 -39.2 6.7 -7.5 -6.4 171 171 A S G 3 S+ 0 0 69 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.755 104.2 51.0 -61.7 -24.9 7.2 -6.8 -2.7 172 172 A E G <> S+ 0 0 113 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.546 87.1 86.4 -89.2 -9.7 3.7 -8.0 -1.9 173 173 A V H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.5 5,-0.2 0.897 79.7 57.2 -67.9 -42.4 3.9 -11.4 -3.6 174 174 A Y H > S+ 0 0 65 -4,-0.5 4,-2.4 1,-0.3 -1,-0.2 0.918 111.5 42.9 -55.0 -49.4 5.4 -13.6 -1.0 175 175 A L H > S+ 0 0 108 -4,-0.3 4,-2.4 1,-0.2 6,-0.3 0.862 111.1 55.8 -65.1 -40.1 2.7 -12.8 1.5 176 176 A A H <>S+ 0 0 9 -4,-1.7 6,-1.6 2,-0.2 5,-1.2 0.893 112.7 42.8 -58.4 -39.0 -0.0 -13.2 -1.2 177 177 A L H ><5S+ 0 0 0 -4,-2.4 3,-0.8 2,-0.2 -2,-0.2 0.930 113.1 51.5 -71.6 -45.5 1.3 -16.7 -1.9 178 178 A Q H 3<5S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.834 114.9 42.0 -60.5 -41.3 1.7 -17.7 1.7 179 179 A T T 3<5S- 0 0 81 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.517 107.6-125.8 -82.7 -7.2 -1.9 -16.6 2.6 180 180 A N T < 5 + 0 0 89 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.678 68.9 136.8 58.2 27.2 -3.2 -18.2 -0.6 181 181 A A S > -E 127 0B 2 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.318 47.7-101.5 -61.9 160.0 12.0 -17.0 -13.8 189 189 A L H 3> S+ 0 0 3 -63,-0.6 4,-2.2 1,-0.2 5,-0.2 0.852 119.5 61.6 -54.2 -37.0 13.6 -19.6 -11.5 190 190 A A H 3> S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 106.7 45.6 -64.0 -35.1 16.3 -17.2 -10.2 191 191 A A H <> S+ 0 0 10 -3,-0.7 4,-2.6 2,-0.2 6,-0.4 0.846 106.4 58.3 -74.0 -35.1 13.6 -14.9 -8.7 192 192 A V H <>S+ 0 0 3 -4,-1.7 5,-1.4 2,-0.2 6,-1.0 0.923 114.3 40.6 -57.1 -38.0 11.7 -17.9 -7.2 193 193 A Q H ><5S+ 0 0 75 -4,-2.2 3,-1.3 3,-0.2 -2,-0.2 0.969 115.7 48.0 -71.8 -54.8 14.9 -18.6 -5.4 194 194 A A H 3<5S+ 0 0 20 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.879 118.5 39.9 -60.7 -42.1 15.9 -15.0 -4.5 195 195 A Q T 3<5S- 0 0 45 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.444 107.2-127.1 -81.4 -6.2 12.4 -14.1 -3.2 196 196 A K T X 5 + 0 0 98 -3,-1.3 3,-1.8 -4,-0.3 4,-0.4 0.777 55.6 152.4 56.8 37.0 12.1 -17.6 -1.5 197 197 A F G > < + 0 0 0 -5,-1.4 3,-1.3 -6,-0.4 -4,-0.1 0.752 62.6 72.3 -63.0 -24.2 8.8 -18.2 -3.2 198 198 A Y G 3 S+ 0 0 22 -6,-1.0 3,-0.4 1,-0.2 -1,-0.3 0.683 86.5 64.5 -62.0 -19.6 9.6 -21.9 -3.0 199 199 A E G < S+ 0 0 86 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.747 114.7 30.8 -71.2 -23.2 8.9 -21.7 0.8 200 200 A V S < S+ 0 0 21 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.2 0.118 110.7 69.6-127.0 17.7 5.3 -20.9 0.0 201 201 A Q - 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