==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-JAN-09 2ZYO . COMPND 2 MOLECULE: SOLUTE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR M.MATSUMOTO,M.YAMADA,Y.KURAKATA,H.YOSHIDA,S.KAMITORI, . 385 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.8 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 . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 3 1 0 1 2 3 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 4 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 13 A K 0 0 228 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.1 -30.1 -30.0 12.3 2 14 A S + 0 0 117 1,-0.2 2,-0.7 2,-0.0 0, 0.0 0.779 360.0 73.6-111.9 -50.3 -27.8 -27.5 14.2 3 15 A E S S- 0 0 33 1,-0.0 -1,-0.2 277,-0.0 2,-0.1 -0.606 75.8-141.0 -75.8 113.2 -29.1 -24.0 13.7 4 16 A G - 0 0 36 -2,-0.7 279,-0.2 1,-0.1 -2,-0.0 -0.386 29.7 -94.5 -68.7 148.8 -32.2 -23.5 15.8 5 17 A K - 0 0 141 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.515 43.0-127.1 -67.7 123.2 -35.1 -21.5 14.3 6 18 A P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 32,-0.1 -0.446 3.3-144.8 -71.3 144.6 -34.8 -17.9 15.5 7 19 A D S S+ 0 0 111 1,-0.3 31,-2.1 30,-0.1 2,-0.3 0.822 86.3 4.0 -70.5 -32.1 -37.8 -16.3 17.1 8 20 A K E -a 38 0A 60 29,-0.2 2,-0.4 31,-0.0 -1,-0.3 -0.994 59.0-152.6-152.3 149.7 -36.7 -13.1 15.4 9 21 A L E -a 39 0A 0 29,-2.6 31,-2.4 -2,-0.3 2,-0.4 -0.944 21.1-139.8-119.4 148.4 -34.2 -11.6 13.0 10 22 A V E -a 40 0A 20 -2,-0.4 55,-2.2 29,-0.2 54,-2.1 -0.925 16.3-173.5-114.6 134.9 -33.2 -8.0 13.1 11 23 A V E -ab 41 65A 0 29,-3.1 31,-2.9 -2,-0.4 2,-0.5 -0.990 12.6-150.4-127.2 130.7 -32.6 -5.8 10.0 12 24 A W E +a 42 0A 5 53,-2.2 2,-0.3 -2,-0.4 29,-0.1 -0.911 23.0 178.2-100.6 128.1 -31.2 -2.3 10.0 13 25 A E E -a 43 0A 0 29,-2.3 31,-2.7 -2,-0.5 8,-0.1 -0.942 40.7 -67.8-131.5 151.9 -32.4 -0.1 7.1 14 26 A N - 0 0 4 -2,-0.3 31,-0.3 29,-0.2 7,-0.2 0.012 37.3-163.3 -38.6 126.3 -31.9 3.6 6.1 15 27 A A S S+ 0 0 50 1,-0.1 -1,-0.1 28,-0.1 30,-0.1 0.731 82.4 53.1 -88.1 -26.2 -33.4 6.0 8.5 16 28 A D S S+ 0 0 128 1,-0.1 2,-0.7 28,-0.1 -1,-0.1 0.717 98.2 67.1 -85.8 -24.6 -33.4 9.2 6.3 17 29 A D > - 0 0 46 1,-0.2 4,-1.6 2,-0.0 5,-0.1 -0.896 62.1-166.3-104.9 114.5 -35.3 7.7 3.3 18 30 A G H > S+ 0 0 41 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.896 86.7 48.3 -63.2 -46.4 -38.9 6.8 4.0 19 31 A V H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.836 109.8 52.0 -69.0 -34.6 -39.5 4.7 0.8 20 32 A Q H > S+ 0 0 8 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 113.5 45.7 -64.4 -43.0 -36.3 2.6 1.3 21 33 A L H X S+ 0 0 23 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.932 113.7 47.2 -65.8 -48.9 -37.3 1.8 4.9 22 34 A N H X S+ 0 0 88 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.816 108.3 55.5 -67.3 -32.2 -40.9 0.9 4.0 23 35 A N H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.919 110.2 45.7 -63.8 -44.0 -39.9 -1.3 1.1 24 36 A T H X S+ 0 0 5 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.899 110.9 53.7 -64.6 -39.6 -37.7 -3.3 3.4 25 37 A K H X S+ 0 0 86 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.884 107.9 52.2 -60.5 -38.5 -40.5 -3.4 6.0 26 38 A K H X S+ 0 0 100 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.955 114.7 38.8 -61.4 -52.7 -42.8 -4.8 3.2 27 39 A W H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.839 113.7 53.8 -75.3 -32.2 -40.5 -7.6 2.2 28 40 A A H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.918 108.7 53.1 -58.7 -43.3 -39.5 -8.4 5.8 29 41 A G H X S+ 0 0 36 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.889 107.2 49.7 -57.9 -43.3 -43.2 -8.6 6.4 30 42 A E H X S+ 0 0 72 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.854 108.9 52.4 -65.3 -37.2 -43.6 -11.1 3.6 31 43 A F H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 6,-0.4 0.920 110.5 48.1 -62.4 -44.4 -40.8 -13.2 5.0 32 44 A T H X S+ 0 0 46 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.903 110.4 51.6 -61.5 -42.8 -42.5 -13.2 8.4 33 45 A K H < S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.4 42.8 -60.5 -38.7 -45.8 -14.2 6.8 34 46 A K H < S+ 0 0 155 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.867 129.8 21.6 -75.3 -39.4 -44.0 -17.1 5.0 35 47 A T H < S- 0 0 44 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.633 89.9-124.2-110.6 -21.4 -41.9 -18.4 7.9 36 48 A G < + 0 0 67 -4,-2.7 2,-0.5 -5,-0.3 -4,-0.2 0.522 68.4 132.4 79.0 6.7 -43.5 -17.3 11.2 37 49 A I - 0 0 4 -6,-0.4 -1,-0.3 -5,-0.1 -29,-0.2 -0.813 60.2-123.6 -91.7 124.4 -40.1 -15.7 12.1 38 50 A Q E -a 8 0A 90 -31,-2.1 -29,-2.6 -2,-0.5 2,-0.5 -0.437 23.0-162.1 -62.3 134.9 -40.4 -12.1 13.4 39 51 A V E -a 9 0A 19 -31,-0.2 2,-0.6 -2,-0.1 -29,-0.2 -0.942 2.0-160.2-122.8 110.1 -38.3 -9.6 11.4 40 52 A E E -a 10 0A 79 -31,-2.4 -29,-3.1 -2,-0.5 2,-0.7 -0.796 2.2-159.1 -90.0 119.7 -37.7 -6.3 13.2 41 53 A V E -a 11 0A 14 -2,-0.6 -29,-0.2 -31,-0.2 -31,-0.1 -0.900 10.7-167.3-101.2 115.4 -36.7 -3.5 10.8 42 54 A V E -a 12 0A 36 -31,-2.9 -29,-2.3 -2,-0.7 2,-0.6 -0.874 23.1-120.1-106.8 129.8 -34.9 -0.8 12.8 43 55 A P E +a 13 0A 73 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.602 46.2 154.7 -71.2 114.0 -34.2 2.7 11.2 44 56 A V - 0 0 12 -31,-2.7 5,-0.1 -2,-0.6 -28,-0.1 -0.969 46.0-111.6-140.7 126.8 -30.5 3.3 11.1 45 57 A A >> - 0 0 26 -2,-0.3 3,-2.0 -31,-0.3 4,-1.0 -0.250 28.0-121.1 -56.7 137.9 -28.8 5.7 8.7 46 58 A L G >4 S+ 0 0 19 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.888 111.5 46.0 -46.9 -50.9 -26.6 3.9 6.1 47 59 A L G 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.396 112.6 52.1 -81.7 4.7 -23.3 5.7 7.1 48 60 A K G <> S+ 0 0 134 -3,-2.0 4,-2.3 2,-0.1 -1,-0.2 0.511 88.0 81.8-108.2 -12.0 -24.0 5.2 10.8 49 61 A Q H S+ 0 0 35 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.933 113.8 43.2 -62.4 -46.8 -20.9 0.3 10.7 51 63 A E H > S+ 0 0 140 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.891 114.8 50.4 -63.7 -42.3 -20.2 2.4 13.9 52 64 A K H X S+ 0 0 79 -4,-2.3 4,-3.4 1,-0.2 3,-0.3 0.878 109.8 49.7 -66.0 -39.3 -23.5 1.3 15.5 53 65 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.839 102.5 61.8 -68.6 -33.7 -22.7 -2.4 14.9 54 66 A T H < S+ 0 0 82 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.829 117.9 30.3 -59.4 -32.7 -19.2 -2.0 16.3 55 67 A L H X S+ 0 0 129 -4,-1.0 4,-0.9 -3,-0.3 -2,-0.2 0.901 127.3 38.9 -88.4 -52.9 -21.0 -1.1 19.6 56 68 A D H X>S+ 0 0 23 -4,-3.4 5,-2.3 2,-0.2 6,-0.9 0.807 106.5 64.2 -74.5 -33.8 -24.2 -3.1 19.5 57 69 A G H ><5S+ 0 0 4 -4,-2.3 3,-1.6 -5,-0.3 5,-0.4 0.959 107.1 40.3 -55.1 -60.6 -22.8 -6.3 17.9 58 70 A P H 345S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.794 111.9 59.7 -57.8 -30.2 -20.5 -7.2 20.8 59 71 A A H 3<5S- 0 0 60 -4,-0.9 -2,-0.2 1,-0.1 -3,-0.1 0.572 114.8-117.6 -74.6 -10.6 -23.3 -6.1 23.2 60 72 A G T <<5S+ 0 0 66 -3,-1.6 -3,-0.2 -4,-0.6 -4,-0.1 0.514 94.7 98.4 85.2 7.7 -25.6 -8.7 21.7 61 73 A K < + 0 0 159 -5,-2.3 -4,-0.3 -6,-0.1 -5,-0.1 0.197 54.5 119.8-110.2 11.5 -28.0 -6.0 20.5 62 74 A G - 0 0 17 -6,-0.9 -52,-0.1 -5,-0.4 2,-0.1 -0.316 66.6-101.1 -79.4 160.7 -26.8 -5.9 16.9 63 75 A A - 0 0 1 1,-0.1 214,-0.2 -54,-0.1 -52,-0.2 -0.381 14.0-140.6 -71.5 154.8 -28.8 -6.5 13.7 64 76 A D S S+ 0 0 14 -54,-2.1 211,-2.2 1,-0.3 2,-0.4 0.878 94.1 35.8 -78.8 -43.4 -28.5 -9.8 11.8 65 77 A L E S+bC 11 274A 0 -55,-2.2 -53,-2.2 209,-0.2 2,-0.3 -0.943 73.0 174.5-115.3 133.4 -28.6 -8.0 8.5 66 78 A V E - C 0 273A 0 207,-2.1 207,-3.2 -2,-0.4 2,-0.3 -0.813 11.6-152.7-129.2 168.7 -27.0 -4.6 7.9 67 79 A T E + C 0 272A 0 -2,-0.3 -18,-0.2 205,-0.2 205,-0.2 -0.993 24.0 137.1-151.7 137.6 -26.4 -2.3 4.9 68 80 A W E - C 0 271A 4 203,-0.6 203,-0.9 -2,-0.3 -21,-0.1 -0.949 59.9 -65.5-164.9 161.2 -24.0 0.4 3.6 69 81 A P E > - C 0 270A 30 0, 0.0 3,-1.3 0, 0.0 201,-0.2 -0.294 49.5-123.0 -52.9 140.0 -22.2 1.4 0.4 70 82 A H G > S+ 0 0 1 199,-2.3 3,-2.2 1,-0.3 4,-0.3 0.609 96.4 84.1 -66.5 -17.6 -19.6 -1.3 -0.5 71 83 A D G 3 S+ 0 0 29 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.683 92.7 48.8 -64.7 -15.6 -16.6 1.1 -0.5 72 84 A R G <> S+ 0 0 80 -3,-1.3 4,-1.5 1,-0.1 -1,-0.3 0.182 79.6 103.7-106.3 15.4 -16.2 0.6 3.3 73 85 A L H <> S+ 0 0 0 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 0.882 74.4 58.7 -62.3 -41.3 -16.5 -3.2 3.1 74 86 A G H > S+ 0 0 0 266,-1.8 4,-2.5 -4,-0.3 5,-0.2 0.899 104.7 49.3 -56.9 -46.7 -12.7 -3.6 3.7 75 87 A E H > S+ 0 0 54 265,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.899 113.8 47.4 -57.3 -44.2 -12.8 -1.7 7.0 76 88 A A H <>S+ 0 0 0 -4,-1.5 5,-2.7 2,-0.2 6,-0.7 0.891 113.9 45.7 -67.0 -42.7 -15.8 -3.9 8.1 77 89 A V H ><5S+ 0 0 25 -4,-2.7 3,-1.3 3,-0.2 -2,-0.2 0.933 112.7 48.4 -68.3 -48.3 -14.2 -7.2 7.1 78 90 A T H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 111.7 50.6 -64.3 -30.7 -10.7 -6.6 8.6 79 91 A K T 3<5S- 0 0 127 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.425 116.0-116.3 -87.7 -1.3 -12.2 -5.4 11.9 80 92 A G T < 5S+ 0 0 35 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.776 75.2 130.4 73.9 29.5 -14.4 -8.6 12.1 81 93 A L < + 0 0 7 -5,-2.7 195,-2.9 -6,-0.2 196,-0.5 0.778 67.9 43.6 -78.2 -30.3 -17.8 -6.8 11.9 82 94 A L E -D 275 0A 10 -6,-0.7 193,-0.2 193,-0.3 -2,-0.1 -0.851 65.2-153.1-120.7 150.9 -19.1 -9.1 9.1 83 95 A Q E -D 274 0A 47 191,-2.5 191,-0.5 -2,-0.3 194,-0.0 -0.898 35.3 -97.0-116.3 152.6 -19.0 -12.8 8.3 84 96 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 26,-0.3 -0.243 32.5-126.3 -64.0 154.2 -19.1 -14.3 4.8 85 97 A I - 0 0 9 24,-2.6 2,-0.7 26,-0.1 24,-0.4 -0.792 13.1-141.8 -95.3 148.5 -22.4 -15.6 3.3 86 98 A Q + 0 0 176 -2,-0.3 2,-0.3 195,-0.1 199,-0.0 -0.894 40.3 142.9-114.5 98.7 -22.6 -19.1 2.0 87 99 A V - 0 0 29 -2,-0.7 22,-0.1 22,-0.0 -2,-0.0 -0.942 49.8-101.3-130.6 155.3 -24.7 -19.3 -1.1 88 100 A D >> - 0 0 118 -2,-0.3 4,-1.6 1,-0.1 3,-1.1 -0.281 34.0-109.2 -71.2 160.0 -24.4 -21.3 -4.3 89 101 A N H 3> S+ 0 0 101 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.817 119.1 64.8 -57.6 -31.4 -22.9 -19.9 -7.6 90 102 A S H 34 S+ 0 0 79 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.827 101.8 49.2 -60.9 -33.8 -26.5 -20.1 -9.0 91 103 A V H X4 S+ 0 0 11 -3,-1.1 3,-1.4 2,-0.2 4,-0.3 0.915 110.5 49.0 -71.2 -45.7 -27.5 -17.5 -6.4 92 104 A K H >< S+ 0 0 65 -4,-1.6 3,-2.1 1,-0.3 -2,-0.2 0.900 104.3 61.8 -56.4 -41.9 -24.6 -15.2 -7.2 93 105 A N T 3< S+ 0 0 70 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.482 84.5 75.4 -70.3 -4.2 -25.5 -15.6 -10.9 94 106 A Q T < S+ 0 0 66 -3,-1.4 217,-1.9 -5,-0.1 218,-0.4 0.722 98.1 60.4 -68.1 -22.6 -28.9 -13.9 -10.2 95 107 A F B < S-G 310 0B 0 -3,-2.1 215,-0.3 -4,-0.3 5,-0.1 -0.724 101.9 -80.8-117.0 156.0 -27.0 -10.7 -10.1 96 108 A D > - 0 0 30 213,-2.3 4,-1.9 -2,-0.3 5,-0.2 -0.237 39.4-131.2 -50.1 131.2 -24.7 -8.6 -12.3 97 109 A D H > S+ 0 0 91 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.857 105.6 47.2 -58.3 -40.8 -21.2 -10.0 -12.3 98 110 A V H > S+ 0 0 35 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.862 109.3 53.8 -72.6 -36.2 -19.5 -6.6 -11.6 99 111 A A H > S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.861 107.6 51.9 -63.6 -36.4 -21.9 -5.8 -8.7 100 112 A M H >< S+ 0 0 6 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.845 103.2 57.6 -70.1 -34.0 -21.0 -9.2 -7.1 101 113 A K H >< S+ 0 0 138 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.866 100.0 59.6 -61.0 -36.7 -17.3 -8.4 -7.4 102 114 A A H 3< S+ 0 0 2 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 106.9 46.4 -62.4 -26.1 -18.0 -5.2 -5.3 103 115 A L T << S+ 0 0 0 -3,-0.7 7,-2.6 -4,-0.6 8,-0.4 0.321 95.8 92.3-102.1 6.4 -19.4 -7.4 -2.5 104 116 A T E < +H 109 0C 43 -3,-1.3 2,-0.3 5,-0.2 5,-0.2 -0.819 50.5 175.8-100.8 140.0 -16.5 -9.9 -2.6 105 117 A Y E > -H 108 0C 44 3,-3.0 3,-1.1 -2,-0.4 78,-0.1 -0.961 63.3 -8.8-149.7 127.5 -13.4 -9.4 -0.3 106 118 A G T 3 S- 0 0 62 -2,-0.3 3,-0.1 1,-0.2 77,-0.1 0.830 129.0 -52.1 55.5 36.9 -10.3 -11.5 0.2 107 119 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 75,-0.1 -1,-0.2 0.660 119.9 101.5 76.1 18.5 -11.8 -14.4 -1.8 108 120 A K E < -H 105 0C 116 -3,-1.1 -3,-3.0 -24,-0.0 2,-0.4 -0.974 69.2-124.0-134.3 148.4 -15.0 -14.5 0.2 109 121 A L E +H 104 0C 19 -24,-0.4 -24,-2.6 -2,-0.3 -5,-0.2 -0.788 22.3 179.5 -94.8 132.1 -18.6 -13.2 -0.5 110 122 A Y - 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0 0 43 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.700 60.8-115.7 -84.8 129.0 -32.7 2.7 -7.3 307 319 A I B -F 116 0A 9 -191,-0.5 -191,-2.0 -2,-0.4 -1,-0.1 -0.463 23.1-142.2 -67.2 121.0 -31.4 0.3 -10.0 308 320 A P - 0 0 1 0, 0.0 2,-2.4 0, 0.0 -193,-0.2 -0.753 8.9-138.4 -84.8 125.5 -31.2 -3.3 -8.8 309 321 A P + 0 0 1 0, 0.0 -213,-2.3 0, 0.0 2,-0.5 -0.317 57.5 136.0 -81.0 59.8 -28.2 -5.1 -10.2 310 322 A Q B > -G 95 0B 8 -2,-2.4 4,-2.3 -215,-0.3 -215,-0.3 -0.939 57.7-133.1-110.6 125.1 -30.3 -8.2 -10.9 311 323 A K H > S+ 0 0 77 -217,-1.9 4,-0.7 -2,-0.5 -216,-0.1 0.848 101.9 40.7 -51.1 -52.0 -29.6 -9.8 -14.3 312 324 A E H >4 S+ 0 0 119 -218,-0.4 3,-0.7 1,-0.2 4,-0.3 0.893 114.9 52.2 -64.7 -41.0 -33.2 -10.3 -15.4 313 325 A L H >4 S+ 0 0 2 1,-0.2 3,-1.1 2,-0.2 6,-0.4 0.838 102.7 58.3 -67.0 -33.9 -34.4 -6.9 -14.1 314 326 A L H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.738 108.7 47.0 -66.0 -23.3 -31.6 -5.0 -15.9 315 327 A N T << S+ 0 0 118 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.413 94.1 104.6 -95.8 -1.4 -33.1 -6.5 -19.2 316 328 A D S X> S- 0 0 51 -3,-1.1 4,-2.3 -4,-0.3 3,-2.1 -0.547 81.3-121.3 -82.9 143.3 -36.7 -5.6 -18.2 317 329 A P H 3> S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.735 108.4 74.6 -53.0 -24.8 -38.5 -2.6 -19.8 318 330 A M H 34 S+ 0 0 36 2,-0.2 -4,-0.1 1,-0.2 8,-0.1 0.784 113.7 23.5 -60.0 -26.8 -38.9 -1.2 -16.2 319 331 A I H X4 S+ 0 0 1 -3,-2.1 3,-1.1 -6,-0.4 7,-0.4 0.829 126.7 46.7 -98.6 -52.8 -35.2 -0.3 -16.5 320 332 A K H 3< S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.3 -6,-0.0 0.763 115.8 43.5 -68.1 -30.0 -34.6 -0.1 -20.3 321 333 A N T 3< S+ 0 0 129 -4,-2.2 -1,-0.3 -5,-0.2 -3,-0.1 0.257 87.8 101.9-103.4 11.6 -37.6 2.0 -21.2 322 334 A N X> - 0 0 56 -3,-1.1 4,-2.9 1,-0.1 3,-1.8 -0.880 63.1-151.3 -96.2 115.7 -37.3 4.5 -18.3 323 335 A P T 34 S+ 0 0 72 0, 0.0 -71,-0.8 0, 0.0 4,-0.2 0.627 94.8 42.1 -64.4 -18.0 -35.7 7.7 -19.7 324 336 A V T 34 S+ 0 0 17 -73,-0.1 -84,-0.1 2,-0.1 -73,-0.1 0.248 123.6 36.4-112.2 11.7 -34.1 8.7 -16.3 325 337 A V T X> S+ 0 0 13 -3,-1.8 4,-2.1 -6,-0.2 3,-0.5 0.652 98.5 69.8-126.5 -45.3 -32.9 5.2 -15.5 326 338 A N H 3X S+ 0 0 35 -4,-2.9 4,-2.6 -7,-0.4 5,-0.2 0.849 99.4 50.8 -50.2 -47.0 -31.8 3.4 -18.7 327 339 A G H 3> S+ 0 0 0 -75,-0.4 4,-2.2 -5,-0.3 -1,-0.2 0.863 109.9 49.9 -61.8 -40.2 -28.7 5.6 -19.3 328 340 A F H <> S+ 0 0 4 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.898 112.2 47.6 -63.9 -42.9 -27.4 5.0 -15.7 329 341 A A H X S+ 0 0 13 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.907 111.1 50.9 -66.6 -43.0 -27.8 1.3 -16.0 330 342 A K H < S+ 0 0 79 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.925 114.7 43.5 -58.3 -47.4 -26.1 1.2 -19.4 331 343 A Q H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 -66,-0.4 0.892 109.9 56.1 -66.6 -40.2 -23.1 3.2 -18.0 332 344 A A H >< S+ 0 0 5 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.810 99.4 61.6 -61.1 -30.9 -23.1 1.1 -14.8 333 345 A S T 3< S+ 0 0 62 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.563 107.2 45.3 -72.2 -9.0 -22.7 -2.0 -16.9 334 346 A K T < S+ 0 0 68 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.230 100.6 94.6-116.9 10.0 -19.4 -0.6 -18.2 335 347 A G < - 0 0 6 -3,-1.2 -69,-0.2 -71,-0.2 -71,-0.1 -0.328 63.7-130.8 -98.4 177.5 -18.0 0.5 -14.8 336 348 A V E -p 266 0I 44 -71,-2.6 -69,-2.1 -2,-0.1 -2,-0.1 -0.969 33.4 -96.5-129.3 146.8 -15.8 -0.9 -12.1 337 349 A P E -p 267 0I 36 0, 0.0 -69,-0.2 0, 0.0 3,-0.1 -0.328 40.9-107.7 -63.7 138.4 -16.3 -1.1 -8.4 338 350 A M - 0 0 14 -71,-1.9 -69,-0.1 1,-0.1 6,-0.0 -0.442 51.3 -91.5 -55.2 134.9 -14.9 1.6 -6.2 339 351 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -237,-0.0 -0.280 38.3-164.7 -51.8 136.3 -11.9 0.1 -4.3 340 352 A S + 0 0 16 -3,-0.1 -266,-1.8 -268,-0.1 -265,-0.4 0.401 48.2 115.1-109.1 -1.5 -13.2 -1.3 -1.0 341 353 A I S > S- 0 0 14 -267,-0.2 3,-1.7 -268,-0.1 4,-0.4 -0.389 77.9-115.3 -67.8 147.9 -9.8 -1.8 0.8 342 354 A P G > S+ 0 0 18 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.828 111.3 67.8 -54.9 -33.1 -9.3 0.5 3.9 343 355 A E G > S+ 0 0 29 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.721 84.5 70.0 -61.8 -24.5 -6.4 2.3 2.2 344 356 A M G X> S+ 0 0 4 -3,-1.7 3,-1.7 1,-0.2 4,-1.0 0.822 84.4 73.1 -61.4 -29.8 -8.8 3.9 -0.4 345 357 A G G <4 S+ 0 0 25 -3,-1.6 4,-0.3 -4,-0.4 -1,-0.2 0.797 99.9 42.2 -53.8 -34.1 -10.2 6.0 2.5 346 358 A V G <4 S+ 0 0 24 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.345 100.5 73.6 -98.8 4.9 -7.1 8.2 2.5 347 359 A V T <> S+ 0 0 0 -3,-1.7 4,-2.3 -4,-0.2 5,-0.3 0.876 84.3 65.0 -81.0 -40.5 -6.8 8.4 -1.3 348 360 A W H X S+ 0 0 40 -4,-1.0 4,-2.5 1,-0.2 5,-0.3 0.877 98.7 49.6 -53.7 -52.1 -9.7 10.9 -1.8 349 361 A E H > S+ 0 0 131 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.948 115.6 40.1 -57.5 -57.7 -8.3 13.9 0.0 350 362 A P H > S+ 0 0 6 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.881 117.3 48.9 -60.1 -41.5 -4.8 14.0 -1.6 351 363 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.885 113.0 46.9 -68.9 -37.6 -6.1 13.2 -5.1 352 364 A N H X S+ 0 0 35 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.880 110.8 52.3 -69.6 -38.8 -8.9 15.8 -5.0 353 365 A N H X S+ 0 0 67 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.900 106.3 54.7 -59.8 -41.7 -6.4 18.4 -3.7 354 366 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.879 106.1 51.9 -58.3 -40.6 -4.2 17.5 -6.7 355 367 A H H X S+ 0 0 0 -4,-1.6 4,-2.9 -195,-0.2 -1,-0.2 0.914 110.2 49.2 -59.2 -45.3 -7.2 18.2 -8.9 356 368 A T H X S+ 0 0 38 -4,-2.0 4,-2.3 -196,-0.3 6,-0.2 0.922 109.3 50.4 -61.5 -47.2 -7.5 21.6 -7.2 357 369 A F H <>S+ 0 0 75 -4,-2.7 5,-2.1 1,-0.2 6,-1.4 0.874 115.1 44.2 -61.5 -38.0 -3.8 22.5 -7.6 358 370 A V H ><5S+ 0 0 2 -4,-1.9 3,-1.2 3,-0.2 -2,-0.2 0.928 112.0 52.2 -69.3 -46.9 -4.0 21.6 -11.3 359 371 A A H 3<5S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.843 112.2 45.8 -57.7 -38.1 -7.3 23.4 -11.9 360 372 A Q T 3<5S- 0 0 57 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.485 112.3-120.5 -85.9 -4.9 -5.9 26.6 -10.3 361 373 A G T < 5S+ 0 0 62 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.699 77.4 125.3 72.4 21.1 -2.7 26.3 -12.3 362 374 A K S - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.452 40.4-106.4 -74.7 156.0 1.6 20.8 -13.3 365 377 A P H > S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.909 121.7 49.1 -46.0 -48.7 -0.2 17.4 -13.5 366 378 A E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 112.9 46.1 -61.2 -46.3 3.0 15.6 -12.9 367 379 A Q H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 114.1 47.7 -63.3 -45.6 4.0 17.7 -9.8 368 380 A A H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.890 114.2 46.1 -65.1 -41.6 0.5 17.5 -8.3 369 381 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.893 111.1 51.9 -70.0 -41.3 0.2 13.7 -8.8 370 382 A N H X S+ 0 0 67 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.916 113.4 45.2 -58.7 -45.2 3.7 13.1 -7.4 371 383 A D H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 112.5 51.4 -64.0 -43.3 2.8 15.1 -4.3 372 384 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 110.1 47.9 -63.0 -44.2 -0.6 13.4 -3.9 373 385 A V H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.902 109.4 53.6 -66.2 -41.5 0.9 9.9 -4.1 374 386 A K H X S+ 0 0 131 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.913 110.4 48.0 -55.3 -45.3 3.6 10.8 -1.5 375 387 A I H X S+ 0 0 81 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.908 110.8 51.2 -62.9 -44.7 0.9 12.0 0.8 376 388 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.927 107.6 51.6 -55.8 -50.4 -1.2 8.8 0.3 377 389 A K H X S+ 0 0 89 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.785 110.6 48.4 -65.5 -30.5 1.7 6.5 1.1 378 390 A E H X S+ 0 0 122 -4,-1.4 4,-0.5 -5,-0.2 3,-0.3 0.899 112.6 48.6 -70.9 -43.3 2.4 8.3 4.3 379 391 A K H X S+ 0 0 71 -4,-2.1 4,-0.6 1,-0.2 5,-0.4 0.789 104.7 59.9 -67.4 -31.1 -1.3 8.2 5.4 380 392 A I H < S+ 0 0 15 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.863 110.3 40.4 -65.4 -38.0 -1.5 4.5 4.5 381 393 A Q H < S+ 0 0 150 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.522 104.8 78.6 -87.4 -6.4 1.2 3.5 7.1 382 394 A T H < S- 0 0 79 -4,-0.5 -2,-0.1 -3,-0.3 -3,-0.1 0.988 112.5 -10.2 -70.3 -85.5 -0.1 6.0 9.7 383 395 A M S < S+ 0 0 125 -4,-0.6 2,-0.1 2,-0.0 -1,-0.1 0.504 102.8 111.6 -99.4 -6.9 -3.2 4.9 11.7 384 396 A K 0 0 56 -5,-0.4 -41,-0.0 -4,-0.3 -4,-0.0 -0.426 360.0 360.0 -78.6 142.9 -4.1 1.8 9.7 385 397 A Q 0 0 194 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.1 -0.204 360.0 360.0-122.8 360.0 -3.8 -1.7 11.1