==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 10-MAR-07 2UVI . COMPND 2 MOLECULE: ABC TYPE PERIPLASMIC SUGAR-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR D.W.ABBOTT,A.B.BORASTON . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 0.2 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 . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 5 0 0 2 0 0 3 0 1 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 27 A E 0 0 179 0, 0.0 2,-0.5 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 114.1 27.0 -9.1 27.2 2 28 A V E -a 32 0A 15 29,-2.9 31,-3.3 293,-0.0 2,-0.5 -0.994 360.0-162.9-117.9 123.1 24.0 -8.0 29.2 3 29 A N E +a 33 0A 67 -2,-0.5 2,-0.3 29,-0.2 31,-0.2 -0.942 13.5 175.9-106.1 123.0 22.3 -4.8 28.2 4 30 A L E -a 34 0A 1 29,-2.9 31,-3.1 -2,-0.5 2,-0.4 -0.848 19.4-147.7-117.8 153.9 20.0 -3.1 30.8 5 31 A R E -a 35 0A 68 -2,-0.3 55,-2.2 29,-0.2 54,-1.1 -0.972 14.0-169.4-114.3 147.6 18.1 0.1 30.7 6 32 A M E -ab 36 60A 0 29,-2.7 31,-2.2 -2,-0.4 2,-0.3 -0.994 1.4-165.8-134.6 129.8 17.5 2.1 33.9 7 33 A S E +ab 37 61A 5 53,-2.1 55,-1.9 -2,-0.4 2,-0.3 -0.855 15.6 152.9-108.6 150.7 15.2 5.0 34.3 8 34 A W E -a 38 0A 0 29,-2.0 31,-1.6 -2,-0.3 2,-0.3 -0.971 27.2-137.5-156.5 168.6 14.9 7.7 37.0 9 35 A W E +a 39 0A 14 -2,-0.3 2,-0.3 29,-0.2 31,-0.3 -0.879 42.3 105.6-121.2 160.5 13.7 11.3 37.7 10 36 A G - 0 0 1 29,-1.5 2,-0.1 -2,-0.3 307,-0.1 -0.964 64.7 -57.6 161.8-175.5 15.3 14.0 39.8 11 37 A G > - 0 0 5 -2,-0.3 4,-1.8 305,-0.2 3,-0.5 -0.407 60.2 -97.0 -83.9 173.4 17.3 17.2 39.7 12 38 A N H > S+ 0 0 100 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.841 123.6 63.1 -62.1 -34.6 20.7 17.4 38.0 13 39 A G H > S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.933 107.7 44.2 -48.2 -47.5 22.5 16.8 41.3 14 40 A R H > S+ 0 0 1 -3,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.814 111.0 53.0 -74.1 -35.0 20.8 13.4 41.4 15 41 A H H X S+ 0 0 18 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.945 107.4 53.4 -57.7 -50.2 21.5 12.7 37.7 16 42 A Q H X S+ 0 0 119 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.864 112.4 42.1 -57.2 -46.7 25.3 13.4 38.4 17 43 A V H X S+ 0 0 21 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.867 114.0 51.6 -70.2 -35.2 25.7 10.9 41.3 18 44 A T H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.919 111.7 47.0 -67.1 -42.8 23.6 8.2 39.6 19 45 A L H X S+ 0 0 63 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.859 111.8 50.7 -63.9 -42.4 25.7 8.5 36.4 20 46 A K H X S+ 0 0 93 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.946 111.5 49.3 -55.8 -51.1 28.8 8.4 38.5 21 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.878 109.4 50.2 -59.7 -46.4 27.4 5.3 40.3 22 48 A L H X S+ 0 0 17 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.823 104.6 58.1 -58.2 -36.6 26.6 3.5 37.0 23 49 A E H X S+ 0 0 144 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.882 110.9 44.2 -59.6 -39.4 30.1 4.2 35.6 24 50 A E H X S+ 0 0 27 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.889 109.8 54.4 -71.0 -46.0 31.5 2.3 38.7 25 51 A F H X S+ 0 0 1 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.951 111.3 45.6 -52.0 -54.6 28.9 -0.5 38.4 26 52 A H H < S+ 0 0 80 -4,-2.5 6,-0.2 2,-0.2 -1,-0.2 0.859 110.4 54.1 -57.0 -41.4 30.0 -1.0 34.8 27 53 A K H < S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.3 44.4 -54.5 -45.6 33.7 -0.9 35.9 28 54 A Q H < S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.667 124.2 37.4 -74.3 -16.8 32.9 -3.6 38.4 29 55 A H >< + 0 0 45 -4,-1.1 3,-2.2 -5,-0.2 -1,-0.2 -0.636 61.5 177.2-138.1 79.5 31.0 -5.5 35.6 30 56 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.695 84.8 54.6 -48.6 -23.6 32.6 -5.2 32.2 31 57 A N T 3 S+ 0 0 88 1,-0.1 -29,-2.9 -30,-0.1 2,-0.5 0.517 95.1 74.5 -95.9 -8.0 29.8 -7.5 30.8 32 58 A I E < -a 2 0A 3 -3,-2.2 2,-0.4 -6,-0.2 -29,-0.2 -0.946 59.4-174.4-117.3 112.8 26.8 -5.5 32.0 33 59 A N E -a 3 0A 42 -31,-3.3 -29,-2.9 -2,-0.5 2,-0.5 -0.862 6.0-161.5-104.3 135.6 26.0 -2.3 30.1 34 60 A V E -a 4 0A 35 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.983 8.0-152.2-120.0 124.5 23.3 -0.0 31.4 35 61 A K E -a 5 0A 142 -31,-3.1 -29,-2.7 -2,-0.5 2,-0.3 -0.844 22.6-140.4 -82.5 129.4 21.6 2.6 29.2 36 62 A A E -a 6 0A 37 -2,-0.5 2,-0.4 -31,-0.2 -29,-0.2 -0.754 18.8-174.0 -94.9 137.7 20.4 5.5 31.5 37 63 A E E +a 7 0A 61 -31,-2.2 -29,-2.0 -2,-0.3 2,-0.4 -0.955 21.0 161.1-132.8 108.9 17.0 7.3 30.9 38 64 A Y E +a 8 0A 100 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.992 9.3 155.3-141.5 140.0 16.5 10.2 33.2 39 65 A T E -a 9 0A 44 -31,-1.6 -29,-1.5 -2,-0.4 2,-0.1 -0.804 45.9 -86.8-140.6-179.0 14.4 13.3 33.3 40 66 A G - 0 0 23 -31,-0.3 4,-0.2 -2,-0.3 -29,-0.1 -0.275 59.1 -87.4 -76.6-178.1 13.0 15.7 35.9 41 67 A W S >> S+ 0 0 86 -32,-0.1 3,-1.5 2,-0.1 4,-0.5 0.798 99.2 101.5 -60.8 -32.8 9.8 14.8 37.6 42 68 A D T 34 S- 0 0 98 1,-0.3 -2,-0.2 2,-0.1 183,-0.0 -0.335 99.0 -7.0 -72.0 130.5 7.7 16.5 34.9 43 69 A G T 3> S+ 0 0 23 -2,-0.1 4,-2.6 -4,-0.1 -1,-0.3 0.400 100.0 117.3 73.0 -3.8 6.1 14.1 32.3 44 70 A H H <> S+ 0 0 12 -3,-1.5 4,-2.0 2,-0.2 5,-0.2 0.918 75.5 41.2 -68.1 -48.5 8.0 11.1 33.8 45 71 A L H X S+ 0 0 24 -4,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.940 114.9 55.8 -54.7 -45.4 5.1 9.0 35.0 46 72 A S H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.919 109.1 45.0 -57.4 -47.6 3.4 9.9 31.7 47 73 A R H X S+ 0 0 117 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.900 114.2 47.7 -64.3 -44.1 6.3 8.6 29.6 48 74 A L H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.831 106.6 58.7 -70.4 -32.2 6.7 5.4 31.7 49 75 A T H X S+ 0 0 53 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.905 106.1 48.3 -59.5 -40.6 2.9 4.8 31.4 50 76 A T H X S+ 0 0 105 -4,-1.5 4,-1.1 -5,-0.2 -2,-0.2 0.889 113.6 48.5 -64.3 -39.9 3.2 4.8 27.6 51 77 A Q H ><>S+ 0 0 45 -4,-1.8 5,-3.1 2,-0.2 3,-0.5 0.932 111.1 48.1 -67.4 -46.9 6.1 2.3 27.9 52 78 A I H ><5S+ 0 0 39 -4,-3.0 3,-1.0 3,-0.2 -1,-0.2 0.886 108.7 55.3 -61.7 -40.8 4.4 -0.0 30.3 53 79 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.743 115.7 37.4 -64.5 -27.7 1.3 -0.0 28.0 54 80 A G T <<5S- 0 0 57 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.263 114.9-116.5-103.5 8.1 3.4 -1.2 25.0 55 81 A G T < 5S+ 0 0 55 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.786 82.2 117.7 62.0 32.4 5.6 -3.5 27.2 56 82 A T < + 0 0 81 -5,-3.1 -4,-0.2 -6,-0.2 -5,-0.1 0.109 34.1 137.1-111.1 24.8 8.8 -1.5 26.6 57 83 A E - 0 0 29 -6,-0.4 -52,-0.1 1,-0.1 232,-0.1 -0.278 58.5 -88.3 -72.6 156.9 9.6 -0.4 30.1 58 84 A P - 0 0 1 0, 0.0 229,-0.2 0, 0.0 -52,-0.2 0.038 24.9-120.3 -56.4 163.6 13.3 -0.5 31.5 59 85 A D S S+ 0 0 24 -54,-1.1 228,-3.0 1,-0.3 2,-0.4 0.916 105.7 30.0 -74.0 -40.7 14.8 -3.4 33.3 60 86 A V E S-bC 6 286A 0 -55,-2.2 -53,-2.1 226,-0.2 2,-0.4 -0.964 76.6-179.9-122.9 131.5 15.3 -1.2 36.3 61 87 A M E -bC 7 285A 0 224,-2.6 224,-2.7 -2,-0.4 2,-0.6 -0.989 30.7-133.3-133.4 137.9 13.1 1.7 37.2 62 88 A Q E - C 0 284A 0 -55,-1.9 2,-0.3 -2,-0.4 222,-0.2 -0.821 43.4-171.0 -82.2 122.7 12.9 4.3 39.9 63 89 A T E - C 0 283A 0 220,-1.6 220,-2.8 -2,-0.6 2,-0.3 -0.768 21.0-124.8-117.8 162.8 9.2 4.1 40.9 64 90 A N > - 0 0 10 -2,-0.3 3,-1.2 218,-0.2 4,-0.3 -0.809 20.9-126.1-109.6 147.0 6.8 6.1 43.1 65 91 A W G > S+ 0 0 16 215,-0.5 3,-1.3 -2,-0.3 -1,-0.1 0.872 109.2 57.9 -62.4 -37.7 4.7 4.6 45.9 66 92 A N G 3 S+ 0 0 8 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.609 94.0 69.1 -69.8 -13.1 1.4 6.0 44.5 67 93 A W G <> S+ 0 0 1 -3,-1.2 4,-2.7 1,-0.2 5,-0.4 0.522 76.1 85.2 -77.4 -14.4 2.1 4.1 41.1 68 94 A L H <> S+ 0 0 10 -3,-1.3 4,-1.9 -4,-0.3 7,-0.3 0.908 93.2 41.9 -56.6 -45.6 1.5 0.7 42.8 69 95 A P H 4 S+ 0 0 24 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.792 115.9 53.5 -69.5 -26.6 -2.3 0.8 42.4 70 96 A I H 4 S+ 0 0 67 -4,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.898 128.7 12.9 -70.8 -47.7 -1.7 2.3 38.8 71 97 A F H < S+ 0 0 32 -4,-2.7 -3,-0.2 1,-0.1 -1,-0.1 0.591 136.0 34.2-105.9 -13.9 0.6 -0.5 37.5 72 98 A S >< + 0 0 1 -4,-1.9 3,-1.7 -5,-0.4 -2,-0.1 -0.267 53.6 150.2-147.8 47.3 0.4 -3.2 40.0 73 99 A K T 3 S+ 0 0 98 -4,-0.4 -1,-0.1 1,-0.3 31,-0.1 0.822 91.3 34.1 -55.6 -31.9 -3.1 -3.6 41.6 74 100 A D T 3 S- 0 0 91 -3,-0.1 -1,-0.3 -6,-0.1 29,-0.1 0.272 117.8-107.7-105.8 11.3 -2.5 -7.3 42.0 75 101 A G S < S+ 0 0 1 -3,-1.7 3,-0.3 -7,-0.3 28,-0.2 0.412 99.5 98.7 77.4 1.3 1.3 -7.1 42.7 76 102 A T + 0 0 61 1,-0.2 -4,-0.1 4,-0.0 4,-0.1 0.437 51.1 92.0 -98.0 3.9 2.2 -8.5 39.3 77 103 A G S S+ 0 0 11 -9,-0.2 211,-0.6 2,-0.1 2,-0.3 0.742 95.5 30.5 -68.0 -25.3 3.0 -5.1 37.6 78 104 A F B S-E 287 0B 4 -3,-0.3 209,-0.2 209,-0.2 31,-0.1 -0.897 105.1 -81.1-129.5 157.2 6.7 -5.3 38.5 79 105 A Y - 0 0 60 207,-2.6 2,-0.7 -2,-0.3 207,-0.4 -0.320 49.0-108.0 -58.3 136.7 8.9 -8.2 39.0 80 106 A N > - 0 0 41 1,-0.2 3,-1.8 208,-0.1 28,-0.2 -0.578 25.9-157.9 -68.5 109.2 8.6 -9.9 42.5 81 107 A L G > S+ 0 0 0 26,-2.8 3,-1.0 -2,-0.7 7,-0.2 0.616 87.8 73.8 -70.6 -14.1 11.9 -8.9 44.3 82 108 A F G > S+ 0 0 88 1,-0.2 3,-1.0 25,-0.2 -1,-0.3 0.775 89.3 62.9 -64.2 -28.6 11.5 -11.9 46.6 83 109 A S G < S+ 0 0 80 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.600 106.2 42.8 -72.3 -9.6 12.6 -13.9 43.4 84 110 A V G X> + 0 0 2 -3,-1.0 4,-1.9 -4,-0.1 3,-1.9 0.073 69.5 123.3-122.7 24.9 16.0 -12.2 43.4 85 111 A K T <4 + 0 0 142 -3,-1.0 5,-0.3 1,-0.3 -1,-0.1 0.643 68.3 68.4 -60.8 -16.2 16.9 -12.2 47.0 86 112 A E T 34 S+ 0 0 169 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.803 113.0 27.7 -63.4 -34.2 20.1 -14.1 46.1 87 113 A Q T <4 S+ 0 0 42 -3,-1.9 2,-0.5 1,-0.2 -2,-0.2 0.711 120.4 58.9 -98.3 -29.1 21.5 -10.9 44.3 88 114 A L S < S- 0 0 0 -4,-1.9 2,-1.3 -7,-0.2 -1,-0.2 -0.910 79.7-135.3-116.5 119.8 19.7 -8.3 46.3 89 115 A D > + 0 0 68 -2,-0.5 3,-1.0 1,-0.2 4,-0.1 -0.645 28.2 173.9 -85.5 94.0 20.2 -8.1 50.1 90 116 A L G > + 0 0 22 -2,-1.3 3,-2.0 -5,-0.3 -1,-0.2 0.797 65.4 74.1 -74.3 -28.0 16.6 -7.7 51.4 91 117 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.2 231,-0.0 -2,-0.1 0.612 82.2 71.9 -68.8 -9.2 17.5 -7.9 55.1 92 118 A Q G < S+ 0 0 47 -3,-1.0 231,-2.1 2,-0.1 2,-0.3 0.654 88.0 72.5 -73.3 -20.0 19.0 -4.5 55.1 93 119 A F S < S- 0 0 8 -3,-2.0 229,-0.1 229,-0.2 19,-0.0 -0.788 96.2-101.2-104.1 138.0 15.5 -2.8 54.7 94 120 A D >> - 0 0 81 227,-0.4 4,-2.6 -2,-0.3 3,-0.6 -0.320 24.8-130.6 -60.8 138.6 13.0 -2.7 57.6 95 121 A P H 3> S+ 0 0 97 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.779 109.8 51.4 -57.3 -28.6 10.2 -5.4 57.3 96 122 A K H 34 S+ 0 0 161 2,-0.2 4,-0.4 1,-0.2 -2,-0.1 0.672 109.5 47.6 -82.9 -25.6 7.7 -2.6 57.9 97 123 A E H X4 S+ 0 0 35 -3,-0.6 3,-1.1 2,-0.2 4,-0.4 0.886 109.9 53.8 -79.2 -39.1 9.1 -0.4 55.3 98 124 A L H >< S+ 0 0 19 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.828 99.4 63.5 -61.7 -34.2 9.2 -3.4 52.9 99 125 A Q G >< S+ 0 0 130 -4,-1.3 3,-0.9 1,-0.2 -1,-0.3 0.764 94.4 60.2 -59.3 -30.6 5.5 -3.9 53.6 100 126 A Q G < S+ 0 0 55 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.655 109.6 42.4 -68.8 -17.6 4.7 -0.5 52.0 101 127 A T G < S+ 0 0 0 -3,-1.4 7,-2.7 -4,-0.4 8,-0.8 0.089 98.5 94.2-115.8 12.8 6.2 -1.7 48.7 102 128 A T E < -F 107 0C 30 -3,-0.9 2,-0.4 5,-0.2 5,-0.2 -0.926 49.9-175.9-112.5 132.9 4.6 -5.2 48.8 103 129 A V E > S-F 106 0C 30 3,-2.4 3,-2.0 -2,-0.4 -29,-0.1 -0.997 70.8 -11.4-133.7 126.2 1.3 -6.0 47.1 104 130 A N T 3 S- 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.839 129.9 -52.9 51.5 38.2 -0.5 -9.4 47.3 105 131 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -6,-0.1 -1,-0.3 0.484 114.8 118.4 80.2 8.0 2.6 -10.9 48.9 106 132 A K E < -F 103 0C 70 -3,-2.0 -3,-2.4 -25,-0.1 2,-0.7 -0.921 65.4-131.4-114.6 126.8 4.8 -9.7 46.0 107 133 A L E +F 102 0C 0 -2,-0.5 -26,-2.8 -5,-0.2 -5,-0.2 -0.624 29.0 176.2 -82.7 112.0 7.7 -7.3 46.7 108 134 A N - 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0 0 21 -4,-2.0 3,-0.2 -5,-0.3 -1,-0.2 -0.192 66.2 -37.7 55.3-134.2 25.2 10.1 48.8 315 341 A L T > S+ 0 0 35 1,-0.1 3,-1.5 2,-0.1 -1,-0.2 0.118 96.1 119.2-112.0 22.8 21.9 11.8 50.0 316 342 A E T < S+ 0 0 35 -3,-1.6 -305,-0.2 1,-0.3 -1,-0.1 0.619 88.3 35.1 -64.0 -7.8 20.4 12.8 46.6 317 343 A R T 3 S- 0 0 12 1,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.286 123.9 -98.1-123.3 5.4 17.4 10.5 47.4 318 344 A G < - 0 0 3 -3,-1.5 -1,-0.5 -74,-0.1 -73,-0.1 -0.482 69.4 -22.1 99.1-173.2 17.3 11.2 51.1 319 345 A V S S- 0 0 16 -205,-0.3 -205,-0.4 -2,-0.2 7,-0.1 -0.561 78.0-113.4 -71.7 116.9 18.5 9.2 54.1 320 346 A P - 0 0 20 0, 0.0 -207,-0.2 0, 0.0 -208,-0.1 -0.214 14.7-154.0 -54.2 143.0 18.9 5.6 53.1 321 347 A L + 0 0 34 -209,-1.9 -227,-0.4 -210,-0.2 2,-0.3 0.531 69.2 104.5 -86.4 -21.5 16.7 2.9 54.6 322 348 A S S > S- 0 0 2 -210,-0.4 4,-2.1 1,-0.2 5,-0.3 -0.548 71.8-142.5 -61.1 127.4 19.3 0.3 54.0 323 349 A A H > S+ 0 0 49 -231,-2.1 4,-1.9 -2,-0.3 5,-0.2 0.953 99.4 45.8 -59.2 -47.1 20.9 -0.4 57.4 324 350 A T H > S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 114.8 48.1 -63.6 -40.0 24.4 -0.7 55.9 325 351 A A H > S+ 0 0 1 -21,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.796 110.1 47.5 -75.5 -37.7 24.1 2.3 53.8 326 352 A V H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.860 112.5 52.4 -74.6 -33.0 22.7 4.8 56.3 327 353 A T H X S+ 0 0 85 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.829 108.7 51.5 -64.9 -38.9 25.5 3.6 58.7 328 354 A Q H X S+ 0 0 40 -4,-1.4 4,-2.1 2,-0.2 6,-0.2 0.894 110.3 47.1 -62.0 -42.8 28.1 4.3 56.0 329 355 A L H X>S+ 0 0 3 -4,-1.6 6,-1.9 2,-0.2 5,-1.8 0.852 112.0 50.0 -75.7 -34.3 26.9 7.8 55.4 330 356 A R H ><5S+ 0 0 138 -4,-1.8 3,-0.9 4,-0.2 -2,-0.2 0.944 112.9 47.1 -66.0 -50.0 26.8 8.5 59.1 331 357 A A H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.821 110.1 52.1 -58.7 -33.0 30.4 7.2 59.5 332 358 A S H 3<5S- 0 0 76 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.589 116.6-114.2 -82.5 -9.1 31.7 9.2 56.5 333 359 A G T <<5S+ 0 0 36 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.486 86.4 118.4 89.9 7.1 30.2 12.3 57.9 334 360 A V < + 0 0 62 -5,-1.8 2,-0.7 -6,-0.2 -4,-0.2 0.890 66.3 60.9 -78.0 -35.9 27.7 12.7 55.1 335 361 A I S S+ 0 0 15 -6,-1.9 2,-0.4 -9,-0.1 -2,-0.2 -0.803 70.6 171.4 -89.6 117.4 24.7 12.3 57.5 336 362 A K > - 0 0 103 -2,-0.7 3,-1.8 1,-0.1 6,-0.3 -0.998 38.7-129.4-128.6 139.4 24.8 15.1 60.0 337 363 A D T 3 S+ 0 0 122 -2,-0.4 9,-0.1 1,-0.3 -1,-0.1 0.680 108.5 54.0 -55.4 -29.3 22.0 15.9 62.4 338 364 A E T 3 S+ 0 0 150 4,-0.1 -1,-0.3 5,-0.1 -3,-0.0 0.594 76.4 114.2 -88.6 -15.5 22.0 19.6 61.5 339 365 A D S <> S- 0 0 40 -3,-1.8 4,-3.3 1,-0.1 5,-0.3 -0.344 71.6-133.3 -47.3 122.7 21.6 18.9 57.7 340 366 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.813 105.8 54.5 -57.9 -27.4 18.0 20.3 56.9 341 367 A S H > S+ 0 0 6 2,-0.2 4,-1.5 3,-0.2 -22,-0.1 0.925 114.8 38.1 -67.3 -48.9 17.2 17.1 55.0 342 368 A V H > S+ 0 0 6 -6,-0.3 4,-2.3 2,-0.2 5,-0.2 0.941 119.8 47.1 -66.2 -50.3 18.1 14.9 58.0 343 369 A A H X S+ 0 0 23 -4,-3.3 4,-2.8 -7,-0.3 5,-0.2 0.865 106.4 59.4 -65.2 -41.1 16.6 17.4 60.6 344 370 A G H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.949 110.2 41.9 -41.3 -62.1 13.4 17.7 58.5 345 371 A L H X S+ 0 0 14 -4,-1.5 4,-2.4 2,-0.2 3,-0.4 0.922 114.7 49.1 -52.4 -55.8 12.7 14.0 58.8 346 372 A N H X S+ 0 0 77 -4,-2.3 4,-1.2 1,-0.3 -2,-0.2 0.918 111.9 48.9 -57.4 -47.0 13.7 13.7 62.5 347 373 A M H < S+ 0 0 45 -4,-2.8 4,-0.4 1,-0.2 -1,-0.3 0.816 112.0 52.2 -58.3 -32.2 11.5 16.6 63.5 348 374 A A H >< S+ 0 0 0 -4,-1.3 3,-0.7 -3,-0.4 -2,-0.2 0.871 104.0 52.8 -76.1 -45.5 8.7 15.0 61.5 349 375 A L H 3< S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.755 104.7 57.1 -57.9 -30.1 8.8 11.6 63.1 350 376 A E T 3< S+ 0 0 174 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.677 89.6 91.7 -78.6 -21.9 8.5 13.2 66.5 351 377 A L S < S- 0 0 25 -3,-0.7 2,-0.3 -4,-0.4 -75,-0.0 -0.492 99.1-101.0 -62.0 139.4 5.2 14.8 65.3 352 378 A P + 0 0 65 0, 0.0 -78,-3.1 0, 0.0 -77,-0.2 -0.543 56.3 161.4 -72.4 130.1 2.3 12.6 66.1 353 379 A H + 0 0 55 -2,-0.3 -80,-0.1 -80,-0.2 -75,-0.1 -0.066 18.1 137.3-150.2 44.1 1.5 10.8 62.9 354 380 A K + 0 0 184 -82,-0.3 2,-0.3 2,-0.1 -81,-0.1 0.806 54.0 94.6 -62.4 -34.4 -0.7 7.6 63.2 355 381 A M - 0 0 34 -3,-0.1 2,-0.3 1,-0.0 -79,-0.1 -0.431 65.2-153.5 -61.1 119.0 -2.8 8.6 60.1 356 382 A T - 0 0 91 -2,-0.3 2,-0.4 -79,-0.1 -77,-0.1 -0.684 13.2-121.5 -93.6 153.9 -1.6 7.0 56.9 357 383 A T - 0 0 7 -79,-0.4 -80,-0.0 -2,-0.3 -81,-0.0 -0.789 21.7-126.3 -95.3 134.6 -2.2 8.5 53.5 358 384 A S > - 0 0 16 -2,-0.4 3,-1.5 1,-0.1 4,-0.5 -0.640 16.7-127.7 -74.2 137.0 -4.0 6.4 50.9 359 385 A P G > S+ 0 0 25 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.759 109.6 65.6 -59.2 -21.2 -2.1 6.1 47.6 360 386 A Y G > S+ 0 0 18 1,-0.2 3,-1.5 2,-0.2 6,-0.1 0.689 84.4 69.8 -72.5 -22.7 -5.3 7.3 45.9 361 387 A F G < S+ 0 0 5 -3,-1.5 -1,-0.2 1,-0.3 38,-0.0 0.765 104.1 45.5 -63.3 -26.5 -5.0 10.7 47.6 362 388 A D G < S+ 0 0 4 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 -0.093 78.8 144.3-108.0 34.2 -2.0 11.2 45.2 363 389 A D <> - 0 0 19 -3,-1.5 4,-2.8 1,-0.1 5,-0.2 -0.526 55.6-130.2 -70.4 136.4 -3.7 9.9 42.1 364 390 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.834 109.0 51.8 -60.8 -34.7 -2.4 11.9 39.2 365 391 A Q H > S+ 0 0 121 2,-0.2 4,-3.0 3,-0.2 5,-0.1 0.869 111.7 48.7 -64.8 -37.0 -6.0 12.7 37.9 366 392 A I H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.953 111.3 48.5 -68.5 -47.9 -6.9 13.8 41.5 367 393 A V H X S+ 0 0 14 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.856 115.4 44.1 -56.1 -44.5 -3.8 16.1 41.7 368 394 A S H X S+ 0 0 67 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.907 109.6 56.8 -67.1 -47.7 -4.5 17.6 38.2 369 395 A L H X S+ 0 0 9 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.894 107.2 51.1 -47.1 -39.8 -8.2 17.9 39.3 370 396 A F H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.882 108.6 47.7 -70.5 -41.7 -6.9 20.0 42.2 371 397 A G H X S+ 0 0 6 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.871 112.3 50.5 -63.2 -39.9 -4.8 22.4 40.1 372 398 A D H X S+ 0 0 63 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.933 108.9 54.8 -55.1 -50.9 -7.8 22.9 37.8 373 399 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.3 -2,-0.2 0.839 109.6 41.9 -53.1 -49.1 -10.0 23.6 40.8 374 400 A I H X S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.2 -159,-0.3 0.719 109.4 61.1 -81.1 -20.8 -7.9 26.4 42.4 375 401 A Q H X S+ 0 0 81 -4,-1.2 4,-1.8 2,-0.2 6,-0.3 0.834 101.3 53.3 -67.1 -37.4 -7.4 27.8 38.9 376 402 A Y H <>S+ 0 0 59 -4,-1.5 6,-1.9 2,-0.2 5,-0.6 0.867 111.6 45.3 -63.1 -37.8 -11.1 28.3 38.6 377 403 A I H ><5S+ 0 0 10 -4,-1.1 3,-1.0 4,-0.2 -2,-0.2 0.928 116.1 45.8 -69.7 -42.9 -11.1 30.2 41.9 378 404 A D H 3<5S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.714 112.6 49.0 -75.4 -28.1 -8.1 32.3 40.9 379 405 A Y T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.051 112.1-116.4-102.0 18.6 -9.3 33.1 37.4 380 406 A G T < 5S+ 0 0 70 -3,-1.0 -3,-0.2 2,-0.2 -4,-0.1 0.350 83.7 117.0 70.8 -4.2 -12.8 34.2 38.7 381 407 A Q S - 0 0 79 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.261 36.5 -98.8 -76.6 174.9 -16.8 30.6 43.2 384 410 A V H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.917 124.0 45.6 -60.5 -45.5 -15.4 28.8 46.3 385 411 A Q H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.910 113.2 48.8 -68.0 -43.2 -18.6 26.8 46.9 386 412 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 112.2 49.5 -59.2 -45.5 -18.9 25.8 43.2 387 413 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.872 109.8 51.4 -61.5 -40.0 -15.3 24.7 43.1 388 414 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.893 113.4 44.5 -65.4 -40.8 -15.8 22.7 46.4 389 415 A E H X S+ 0 0 117 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.869 113.8 50.3 -70.6 -38.8 -18.8 20.9 44.9 390 416 A Y H X S+ 0 0 49 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.893 112.6 46.2 -65.8 -45.5 -17.0 20.4 41.6 391 417 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.4 0.965 112.7 49.7 -62.4 -55.3 -13.9 18.9 43.3 392 418 A N H X S+ 0 0 29 -4,-2.4 4,-2.1 1,-0.2 -203,-0.2 0.924 117.8 40.1 -45.8 -54.4 -16.0 16.6 45.5 393 419 A K H X S+ 0 0 125 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.913 120.8 38.2 -67.6 -52.3 -18.1 15.3 42.6 394 420 A Q H X S+ 0 0 48 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.798 116.2 53.2 -74.0 -29.5 -15.4 14.9 39.8 395 421 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.894 105.2 54.0 -73.2 -44.1 -12.8 13.6 42.3 396 422 A D H X S+ 0 0 32 -4,-2.1 4,-0.9 -5,-0.4 -1,-0.2 0.848 107.8 52.5 -51.4 -36.4 -15.1 11.0 43.6 397 423 A R H >X S+ 0 0 123 -4,-1.1 4,-1.7 2,-0.2 3,-0.6 0.930 109.0 47.6 -68.9 -47.1 -15.6 9.8 39.9 398 424 A I H 3X S+ 0 0 24 -4,-1.7 4,-4.1 1,-0.2 5,-0.3 0.915 107.4 57.8 -56.1 -45.7 -11.8 9.6 39.4 399 425 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.752 106.3 48.9 -61.0 -25.2 -11.5 7.6 42.7 400 426 A K H << S+ 0 0 99 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.839 115.1 43.3 -82.0 -35.5 -14.0 5.1 41.3 401 427 A R H < S+ 0 0 173 -4,-1.7 3,-0.5 2,-0.2 -2,-0.2 0.869 119.4 45.1 -72.0 -38.4 -11.9 4.8 38.0 402 428 A A H < S+ 0 0 22 -4,-4.1 -2,-0.2 1,-0.2 -3,-0.2 0.875 112.9 49.1 -66.5 -42.5 -8.7 4.7 40.1 403 429 A M < 0 0 9 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.267 360.0 360.0 -86.0 4.7 -10.0 2.2 42.7 404 430 A R 0 0 192 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 0.849 360.0 360.0 -65.1 360.0 -11.2 -0.2 40.0