==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-SEP-08 2V4C . COMPND 2 MOLECULE: SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR M.FISCHER,R.E.HUBBARD . 306 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.5 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 . 39 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 37.9 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 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 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 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 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 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 58 0, 0.0 3,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 -13.8 32.1 10.9 -4.2 2 2 A D + 0 0 113 32,-0.4 2,-0.5 33,-0.3 34,-0.2 0.881 360.0 29.6 -55.8 -38.1 32.6 13.7 -6.8 3 3 A Y E S-a 36 0A 77 32,-2.1 34,-2.4 2,-0.0 2,-1.0 -0.896 76.7-172.4-125.8 100.1 29.7 11.7 -8.2 4 4 A D E -a 37 0A 106 -2,-0.5 2,-0.2 -3,-0.4 34,-0.2 -0.799 24.6-177.9 -87.5 99.1 27.5 10.1 -5.6 5 5 A L E -a 38 0A 11 32,-2.9 34,-2.7 -2,-1.0 2,-0.4 -0.672 18.0-144.1-110.9 162.3 25.3 8.0 -7.9 6 6 A K E -a 39 0A 89 -2,-0.2 57,-2.1 32,-0.2 56,-0.9 -0.975 6.6-165.1-128.7 139.1 22.4 5.8 -7.2 7 7 A F E -ab 40 63A 1 32,-2.9 34,-2.8 -2,-0.4 2,-0.3 -0.972 15.3-165.3-125.3 109.9 21.2 2.5 -8.9 8 8 A G E +ab 41 64A 0 55,-2.1 57,-0.8 -2,-0.5 2,-0.3 -0.689 13.0 164.9 -96.1 153.0 17.7 1.4 -8.1 9 9 A M - 0 0 1 32,-2.0 35,-2.3 -2,-0.3 36,-0.4 -0.989 42.2-133.4-160.6 156.2 16.1 -2.0 -8.7 10 10 A N S S+ 0 0 38 -2,-0.3 -1,-0.1 33,-0.2 37,-0.0 0.763 81.8 94.1 -80.9 -33.4 13.2 -4.3 -7.8 11 11 A A S S- 0 0 7 32,-0.1 32,-2.4 31,-0.1 33,-0.3 -0.252 74.0-124.0 -62.6 155.5 15.4 -7.3 -7.2 12 12 A G > - 0 0 5 30,-0.2 3,-1.9 31,-0.1 6,-0.4 -0.300 29.4 -89.9 -98.3-178.7 16.6 -8.0 -3.6 13 13 A T T 3 S+ 0 0 89 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.632 122.5 55.2 -72.8 -10.5 20.0 -8.4 -2.1 14 14 A S T 3 S+ 0 0 70 180,-0.2 -1,-0.3 4,-0.1 2,-0.2 0.271 91.4 104.7 -95.4 7.7 20.0 -12.2 -2.7 15 15 A S S <> S- 0 0 3 -3,-1.9 4,-2.2 1,-0.1 5,-0.1 -0.485 77.7-124.1 -94.9 160.3 19.4 -11.9 -6.4 16 16 A N H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.879 112.7 58.7 -60.9 -42.5 21.6 -12.2 -9.5 17 17 A E H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 107.3 45.8 -53.0 -47.4 20.7 -8.7 -10.6 18 18 A Y H > S+ 0 0 43 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.925 111.1 52.7 -67.3 -41.5 22.1 -7.3 -7.3 19 19 A K H X S+ 0 0 85 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.895 112.8 43.9 -57.6 -42.9 25.2 -9.4 -7.6 20 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.867 111.4 53.9 -74.4 -34.7 25.9 -8.1 -11.1 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.890 107.0 53.3 -65.2 -35.4 25.0 -4.5 -10.0 22 22 A E H X S+ 0 0 95 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.892 108.1 49.2 -63.2 -43.0 27.6 -4.9 -7.2 23 23 A M H X S+ 0 0 63 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.930 111.5 49.8 -59.7 -48.1 30.2 -5.9 -9.8 24 24 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.953 112.1 47.5 -54.4 -51.7 29.3 -2.9 -11.9 25 25 A A H X S+ 0 0 14 -4,-2.9 4,-2.1 1,-0.2 13,-0.3 0.887 111.7 50.0 -57.1 -42.4 29.6 -0.6 -8.9 26 26 A K H X S+ 0 0 131 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.930 112.2 47.1 -66.8 -45.2 32.9 -2.0 -7.8 27 27 A E H X S+ 0 0 19 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.912 111.9 49.9 -61.2 -43.4 34.4 -1.6 -11.4 28 28 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 8,-0.3 0.917 111.9 47.8 -63.7 -43.2 33.2 1.9 -11.8 29 29 A K H <>S+ 0 0 99 -4,-2.1 5,-2.9 -5,-0.2 7,-0.2 0.940 116.7 43.8 -62.8 -47.1 34.6 3.0 -8.4 30 30 A E H ><5S+ 0 0 111 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.955 117.5 42.4 -62.1 -52.9 38.0 1.3 -9.2 31 31 A K H 3<5S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.676 110.9 54.2 -78.2 -16.9 38.4 2.5 -12.7 32 32 A S T ><5S- 0 0 2 -4,-1.8 3,-1.8 -5,-0.3 -1,-0.3 0.271 112.4-120.7 -87.8 7.0 37.2 6.1 -12.1 33 33 A Q T < 5S- 0 0 170 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.881 71.7 -51.0 51.8 40.6 39.8 6.2 -9.3 34 34 A G T 3 + 0 0 10 0, 0.0 3,-1.9 0, 0.0 -30,-0.2 -0.088 46.9 44.4 -84.8-179.9 17.2 -2.8 -4.0 43 43 A S T 3 S- 0 0 61 -32,-2.4 -33,-0.2 1,-0.3 -32,-0.1 0.772 123.1 -69.0 60.1 29.9 13.8 -4.3 -3.2 44 44 A S T > S+ 0 0 23 -35,-2.3 3,-2.2 -3,-0.3 -1,-0.3 0.751 83.9 152.0 65.2 22.4 11.8 -1.5 -4.8 45 45 A Q T < S+ 0 0 125 -3,-1.9 -1,-0.1 -36,-0.4 -2,-0.1 0.819 77.5 42.0 -51.1 -34.3 12.9 1.0 -2.0 46 46 A L T 3 S- 0 0 54 1,-0.5 -1,-0.3 -5,-0.3 2,-0.2 0.328 130.7 -84.7 -94.9 8.3 12.5 3.8 -4.6 47 47 A G < - 0 0 29 -3,-2.2 -1,-0.5 -38,-0.1 -38,-0.1 -0.696 64.2 -48.3 111.9-176.2 9.3 2.5 -6.1 48 48 A D > - 0 0 34 -2,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.099 65.0 -87.7 -86.8-171.4 8.7 -0.1 -8.8 49 49 A D H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.834 128.6 54.7 -70.3 -32.2 10.4 -0.2 -12.2 50 50 A R H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 112.0 45.4 -59.8 -46.4 7.8 2.1 -13.7 51 51 A A H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.919 112.0 50.8 -61.6 -44.1 8.6 4.6 -11.0 52 52 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.857 106.4 54.7 -69.3 -33.1 12.3 4.2 -11.3 53 53 A L H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.899 107.2 51.3 -62.1 -39.5 12.2 4.8 -15.1 54 54 A K H X S+ 0 0 133 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.891 108.7 51.9 -63.3 -39.2 10.4 8.1 -14.4 55 55 A Q H X>S+ 0 0 40 -4,-2.1 5,-1.7 2,-0.2 4,-1.3 0.878 107.7 50.7 -67.9 -37.0 13.2 9.0 -12.0 56 56 A L H <5S+ 0 0 0 -4,-2.3 165,-0.4 2,-0.2 3,-0.3 0.935 111.2 49.3 -62.6 -44.3 15.8 8.3 -14.6 57 57 A K H <5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.941 114.2 44.9 -57.6 -46.8 13.9 10.5 -17.1 58 58 A D H <5S- 0 0 92 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.692 113.1-120.5 -71.4 -18.7 13.6 13.2 -14.5 59 59 A G T <5S+ 0 0 25 -4,-1.3 -3,-0.2 -3,-0.3 -4,-0.1 0.518 83.5 113.1 89.6 6.4 17.3 12.8 -13.5 60 60 A S S - 0 0 35 -2,-0.3 3,-1.0 147,-0.2 4,-0.5 -0.538 26.2-122.6 -74.5 154.4 13.3 -5.1 -19.6 68 68 A S G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.2 4,-0.1 0.912 115.7 59.4 -57.1 -40.5 13.1 -4.2 -23.2 69 69 A A G > S+ 0 0 4 1,-0.3 3,-1.9 12,-0.2 -1,-0.3 0.747 88.7 71.2 -60.5 -26.8 9.4 -5.3 -23.0 70 70 A R G X S+ 0 0 11 -3,-1.0 3,-1.6 1,-0.3 -1,-0.3 0.743 82.2 73.8 -67.4 -19.3 8.8 -2.7 -20.3 71 71 A F G X> + 0 0 2 -3,-1.7 4,-2.7 -4,-0.5 3,-2.0 0.566 68.6 89.2 -72.4 -2.2 9.1 -0.0 -23.0 72 72 A Q G <4 S+ 0 0 26 -3,-1.9 -1,-0.3 6,-0.3 7,-0.2 0.760 72.6 74.6 -61.2 -22.2 5.6 -1.2 -24.3 73 73 A L G <4 S+ 0 0 87 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.798 112.7 21.1 -61.3 -28.3 4.5 1.5 -21.8 74 74 A F T <4 S+ 0 0 97 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.707 135.3 34.0-109.7 -29.1 5.6 4.1 -24.3 75 75 A Y >< - 0 0 22 -4,-2.7 3,-2.6 1,-0.1 -1,-0.3 -0.910 69.9-157.9-134.1 101.8 5.7 2.2 -27.6 76 76 A P G > S+ 0 0 75 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.785 88.2 64.0 -58.3 -31.9 3.0 -0.4 -27.8 77 77 A E G > S+ 0 0 16 1,-0.3 3,-1.8 2,-0.1 4,-0.1 0.726 84.9 76.7 -67.7 -15.0 4.8 -2.5 -30.4 78 78 A A G X S+ 0 0 0 -3,-2.6 3,-1.6 1,-0.3 -6,-0.3 0.600 70.9 84.3 -71.6 -5.2 7.6 -3.1 -27.9 79 79 A A G X> + 0 0 6 -3,-1.9 3,-2.3 1,-0.3 4,-0.7 0.678 67.2 85.6 -66.4 -16.2 5.2 -5.6 -26.2 80 80 A V G X4 S+ 0 0 0 -3,-1.8 3,-0.7 1,-0.3 7,-0.3 0.831 77.5 65.6 -53.2 -31.5 6.5 -8.0 -28.9 81 81 A F G <4 S+ 0 0 9 -3,-1.6 130,-0.3 1,-0.2 -1,-0.3 0.680 113.5 30.3 -63.4 -21.9 9.4 -8.7 -26.5 82 82 A A G <4 S+ 0 0 3 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.209 77.9 128.1-126.5 13.4 7.0 -10.3 -24.0 83 83 A L S XX S- 0 0 2 -3,-0.7 3,-2.2 -4,-0.7 4,-0.6 -0.579 78.4 -97.4 -61.6 123.0 4.2 -11.8 -26.2 84 84 A P T 34 S- 0 0 0 0, 0.0 126,-0.2 0, 0.0 125,-0.1 -0.224 97.8 -2.4 -57.4 138.4 4.3 -15.2 -24.7 85 85 A Y T 34 S+ 0 0 37 124,-1.8 125,-0.1 2,-0.2 -2,-0.1 0.373 102.9 104.5 65.4 2.2 6.3 -17.8 -26.7 86 86 A V T <4 S+ 0 0 19 -3,-2.2 2,-0.6 123,-0.2 -5,-0.1 0.982 71.1 57.5 -75.2 -55.4 7.2 -15.3 -29.5 87 87 A I S < S- 0 0 15 -4,-0.6 -2,-0.2 -7,-0.3 -1,-0.1 -0.654 74.6-162.3 -76.1 120.3 10.9 -14.7 -28.5 88 88 A S - 0 0 83 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.868 57.5 -28.1 -74.2 -41.3 12.4 -18.3 -28.5 89 89 A N S > S- 0 0 48 122,-0.1 4,-2.0 1,-0.0 3,-0.2 -0.911 73.8 -77.0-164.0 179.0 15.5 -17.7 -26.5 90 90 A Y H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.846 121.3 62.8 -64.9 -34.7 18.1 -15.1 -25.4 91 91 A N H > S+ 0 0 52 1,-0.2 4,-2.1 215,-0.2 -1,-0.2 0.928 108.3 44.6 -50.8 -46.7 19.9 -15.3 -28.8 92 92 A V H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.911 109.7 55.1 -67.5 -43.6 16.7 -14.0 -30.3 93 93 A A H X S+ 0 0 4 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.872 108.8 48.2 -56.9 -40.7 16.2 -11.4 -27.6 94 94 A Q H X S+ 0 0 76 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.925 115.3 42.9 -64.9 -47.5 19.7 -9.9 -28.3 95 95 A K H X S+ 0 0 66 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.855 109.9 58.6 -68.7 -32.8 19.3 -9.8 -32.1 96 96 A A H < S+ 0 0 0 -4,-2.9 7,-0.4 -5,-0.2 4,-0.2 0.904 114.6 37.1 -61.8 -39.7 15.7 -8.4 -31.7 97 97 A L H < S+ 0 0 0 -4,-1.5 10,-0.3 -5,-0.2 3,-0.2 0.933 132.2 21.7 -80.8 -44.7 17.0 -5.5 -29.7 98 98 A F H < S+ 0 0 77 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.653 124.2 44.2-100.5 -18.7 20.3 -4.7 -31.5 99 99 A D S < S+ 0 0 107 -4,-2.3 2,-0.3 -5,-0.3 -1,-0.2 -0.045 95.8 77.7-123.6 25.4 20.1 -6.2 -35.0 100 100 A T S > S- 0 0 11 -4,-0.2 4,-2.4 -3,-0.2 5,-0.2 -0.945 76.9-126.8-126.2 159.0 16.6 -5.2 -36.2 101 101 A E H > S+ 0 0 133 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.916 113.6 54.3 -69.2 -40.5 15.4 -1.9 -37.5 102 102 A F H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 112.0 42.9 -53.2 -50.7 12.6 -2.0 -34.9 103 103 A G H > S+ 0 0 0 -7,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.924 112.4 51.9 -67.0 -45.3 15.1 -2.6 -32.0 104 104 A K H X S+ 0 0 81 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.905 111.0 48.5 -56.6 -41.2 17.6 0.0 -33.2 105 105 A D H X S+ 0 0 80 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.877 108.4 54.4 -67.7 -35.8 14.8 2.6 -33.5 106 106 A L H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.937 107.5 50.3 -63.8 -45.9 13.6 1.7 -30.0 107 107 A I H X S+ 0 0 40 -4,-2.4 4,-1.6 -10,-0.3 -1,-0.2 0.901 111.2 49.0 -59.4 -44.0 17.1 2.4 -28.6 108 108 A K H X S+ 0 0 133 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.921 111.3 48.8 -62.6 -43.2 17.3 5.8 -30.3 109 109 A K H X>S+ 0 0 33 -4,-2.5 4,-3.5 1,-0.2 5,-1.4 0.905 105.6 58.0 -66.8 -38.7 13.8 6.8 -29.0 110 110 A M H <5S+ 0 0 1 -4,-2.8 6,-2.2 3,-0.2 4,-0.5 0.902 114.8 38.0 -52.1 -43.2 14.8 5.7 -25.5 111 111 A D H X5S+ 0 0 41 -4,-1.6 4,-1.0 4,-0.2 -2,-0.2 0.971 126.3 34.8 -73.4 -57.8 17.7 8.2 -25.7 112 112 A K H <5S+ 0 0 160 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.877 132.0 25.2 -69.8 -41.7 16.0 11.0 -27.6 113 113 A D T <5S+ 0 0 89 -4,-3.5 -3,-0.2 -5,-0.3 -1,-0.2 0.803 130.6 34.1 -93.1 -36.3 12.4 10.7 -26.2 114 114 A L T 4 S- 0 0 47 133,-0.2 3,-1.5 -3,-0.2 4,-0.3 -0.960 85.6 -87.5-160.0 172.6 -1.9 -29.4 -18.0 138 138 A I G > S+ 0 0 40 133,-0.3 3,-1.6 -2,-0.3 4,-0.4 0.772 118.2 71.7 -60.9 -24.6 -3.4 -26.1 -19.2 139 139 A A G > S+ 0 0 68 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.841 88.0 63.2 -58.3 -34.7 -6.7 -27.3 -17.7 140 140 A D G < S+ 0 0 68 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.654 90.4 66.8 -66.1 -16.3 -5.2 -26.7 -14.3 141 141 A M G X S+ 0 0 0 -3,-1.6 3,-2.5 -4,-0.3 -1,-0.3 0.717 71.7 115.8 -73.3 -21.4 -4.9 -22.9 -15.0 142 142 A K T < S- 0 0 168 -3,-1.4 21,-0.2 -4,-0.4 3,-0.1 -0.303 96.3 -9.7 -61.7 122.1 -8.6 -22.5 -15.1 143 143 A G T 3 S+ 0 0 41 19,-1.8 -1,-0.3 1,-0.2 2,-0.3 0.504 91.7 150.9 65.8 5.4 -9.6 -20.2 -12.3 144 144 A L < - 0 0 19 -3,-2.5 20,-3.2 18,-0.1 2,-1.2 -0.541 51.2-129.6 -64.9 126.5 -6.1 -20.3 -10.8 145 145 A K E -g 164 0B 112 -2,-0.3 38,-2.7 18,-0.2 39,-1.2 -0.724 35.7-172.4 -83.3 100.3 -5.7 -17.0 -9.1 146 146 A L E -gh 165 184B 0 18,-1.3 20,-2.1 -2,-1.2 39,-0.2 -0.856 18.1-138.6-105.8 116.1 -2.3 -16.1 -10.7 147 147 A R E +g 166 0B 3 37,-2.9 39,-0.4 -2,-0.6 35,-0.0 -0.520 27.8 179.5 -65.3 140.8 -0.5 -13.1 -9.4 148 148 A V E -g 167 0B 0 18,-1.9 20,-2.1 -2,-0.2 39,-0.1 -0.939 30.1-104.5-133.5 158.4 1.1 -11.1 -12.3 149 149 A P - 0 0 21 0, 0.0 2,-2.1 0, 0.0 20,-0.1 -0.289 50.9 -86.6 -70.8 171.4 3.2 -7.9 -12.3 150 150 A N S S+ 0 0 53 18,-0.1 2,-0.3 17,-0.1 19,-0.0 -0.522 91.8 114.5 -76.8 71.6 1.5 -4.7 -13.4 151 151 A A > - 0 0 13 -2,-2.1 4,-2.2 1,-0.1 3,-0.2 -0.992 66.8-134.9-151.5 132.1 2.3 -5.3 -17.1 152 152 A A H > S+ 0 0 58 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.829 102.8 54.6 -61.5 -37.1 -0.1 -5.9 -20.0 153 153 A T H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 111.3 44.2 -69.3 -37.7 1.7 -8.8 -21.5 154 154 A N H > S+ 0 0 6 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.884 111.8 53.3 -71.4 -38.4 1.8 -10.8 -18.2 155 155 A L H X S+ 0 0 62 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.939 111.2 48.1 -59.0 -43.5 -1.9 -10.0 -17.6 156 156 A A H X S+ 0 0 9 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.876 105.9 55.9 -62.4 -42.3 -2.6 -11.4 -21.1 157 157 A Y H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 6,-0.2 0.969 112.0 44.1 -53.6 -53.3 -0.6 -14.5 -20.5 158 158 A A H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.6 0.931 115.3 48.1 -57.8 -49.3 -2.8 -15.2 -17.5 159 159 A K H ><5S+ 0 0 129 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.944 111.8 47.8 -55.8 -52.8 -6.1 -14.3 -19.3 160 160 A Y H 3<5S+ 0 0 53 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.774 107.9 52.2 -73.2 -23.0 -5.5 -16.3 -22.4 161 161 A V H 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.3 -20,-0.2 0.520 122.5-103.6 -86.0 -3.2 -4.4 -19.6 -20.6 162 162 A G T <<5S+ 0 0 19 -3,-1.2 -19,-1.8 -4,-0.6 -3,-0.2 0.456 75.6 133.6 102.5 3.2 -7.6 -19.3 -18.6 163 163 A A < - 0 0 8 -5,-2.0 -1,-0.3 -6,-0.2 -18,-0.2 -0.246 60.2-115.8 -81.1 171.5 -6.3 -18.1 -15.2 164 164 A S E -g 145 0B 57 -20,-3.2 -18,-1.3 -23,-0.2 2,-0.1 -0.888 36.7-145.1-109.0 100.9 -7.7 -15.3 -13.1 165 165 A P E -g 146 0B 45 0, 0.0 -18,-0.2 0, 0.0 -20,-0.1 -0.397 19.0-173.5 -76.9 142.9 -5.0 -12.6 -12.9 166 166 A T E -g 147 0B 54 -20,-2.1 -18,-1.9 -2,-0.1 2,-0.2 -0.934 17.5-148.3-127.5 107.3 -4.3 -10.4 -9.9 167 167 A P E +g 148 0B 56 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.535 30.7 150.4 -74.3 139.1 -1.8 -7.7 -10.6 168 168 A M - 0 0 32 -20,-2.1 -18,-0.1 -2,-0.2 5,-0.1 -0.958 47.7 -85.1-160.8 157.1 0.4 -6.6 -7.8 169 169 A A > - 0 0 35 -2,-0.3 3,-1.6 -20,-0.1 4,-0.4 -0.237 38.8-116.8 -60.7 146.2 3.9 -5.2 -7.1 170 170 A F G > S+ 0 0 34 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.864 114.0 62.0 -50.2 -41.2 6.9 -7.7 -6.8 171 171 A S G 3 S+ 0 0 64 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.752 103.3 49.2 -60.9 -24.7 7.3 -6.6 -3.2 172 172 A E G <> S+ 0 0 105 -3,-1.6 4,-1.7 1,-0.1 -1,-0.3 0.481 87.8 88.5 -93.5 -5.5 3.8 -7.8 -2.2 173 173 A V H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.4 5,-0.3 0.926 78.6 55.3 -67.8 -46.3 4.1 -11.3 -3.8 174 174 A Y H > S+ 0 0 63 -4,-0.5 4,-2.7 1,-0.3 -1,-0.2 0.916 111.6 45.3 -56.4 -48.4 5.6 -13.4 -1.0 175 175 A L H > S+ 0 0 104 -4,-0.3 4,-2.5 1,-0.2 6,-0.3 0.880 111.2 53.5 -59.8 -44.8 2.8 -12.4 1.5 176 176 A A H <>S+ 0 0 9 -4,-1.7 6,-1.6 1,-0.2 5,-1.3 0.883 113.3 42.7 -58.8 -41.0 0.1 -13.0 -1.1 177 177 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.912 113.2 52.5 -71.7 -42.0 1.4 -16.5 -1.8 178 178 A Q H 3<5S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.880 115.2 40.0 -64.0 -40.8 2.0 -17.3 1.9 179 179 A T T 3<5S- 0 0 81 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.449 108.9-124.1 -83.4 -3.3 -1.6 -16.3 2.9 180 180 A N T < 5 + 0 0 86 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.706 67.3 139.6 59.3 25.6 -3.0 -17.9 -0.3 181 181 A A S > -E 127 0B 3 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.290 49.7-107.2 -67.0 158.0 12.1 -17.0 -13.7 189 189 A L H 3> S+ 0 0 1 -63,-0.6 4,-2.3 1,-0.2 5,-0.2 0.850 118.1 60.0 -55.9 -34.5 13.6 -19.7 -11.4 190 190 A A H 3> S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.852 106.5 47.1 -67.9 -31.6 16.3 -17.4 -10.1 191 191 A A H <> S+ 0 0 11 -3,-0.9 4,-2.7 2,-0.2 6,-0.4 0.864 107.3 56.0 -72.6 -35.9 13.6 -15.0 -8.8 192 192 A V H <>S+ 0 0 4 -4,-1.9 5,-1.4 1,-0.2 6,-1.1 0.909 115.4 41.1 -60.4 -38.9 11.7 -17.9 -7.2 193 193 A Q H ><5S+ 0 0 69 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.965 115.5 47.5 -70.1 -55.1 15.0 -18.7 -5.5 194 194 A A H 3<5S+ 0 0 17 -4,-3.0 -180,-0.2 1,-0.3 -2,-0.2 0.871 118.7 39.6 -55.9 -41.9 16.0 -15.1 -4.6 195 195 A Q T 3<5S- 0 0 42 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.432 107.6-125.9 -88.5 -1.5 12.6 -14.1 -3.2 196 196 A K T X 5 + 0 0 78 -3,-1.3 3,-1.9 -4,-0.2 4,-0.4 0.791 56.7 151.6 57.6 33.9 12.2 -17.5 -1.5 197 197 A F G > < + 0 0 0 -5,-1.4 3,-1.5 -6,-0.4 4,-0.3 0.798 62.6 72.5 -63.8 -21.8 8.9 -18.1 -3.2 198 198 A Y G 3 S+ 0 0 32 -6,-1.1 -1,-0.3 1,-0.3 3,-0.3 0.687 86.2 64.6 -66.2 -17.3 9.7 -21.8 -3.0 199 199 A E G < S+ 0 0 105 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.722 114.8 30.3 -71.9 -20.9 9.0 -21.6 0.8 200 200 A V S < S+ 0 0 26 -3,-1.5 2,-0.4 -4,-0.4 -2,-0.2 0.142 110.5 70.8-129.4 17.4 5.4 -20.8 0.1 201 201 A Q - 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