==== 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 2ZYN . COMPND 2 MOLECULE: SOLUTE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR M.MATSUMOTO,M.YAMADA,Y.KURAKATA,H.YOSHIDA,S.KAMITORI, . 383 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 0 3 0 1 1 2 3 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 5 1 0 2 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 . 2 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 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 15 A E 0 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.9 -49.0 22.2 -2.2 2 16 A G + 0 0 75 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.874 360.0 156.8 89.4 84.1 -46.5 21.0 -4.8 3 17 A K + 0 0 185 2,-0.0 2,-1.8 1,-0.0 -1,-0.1 -0.187 12.2 141.4-132.4 43.2 -45.6 17.4 -4.3 4 18 A P - 0 0 107 0, 0.0 2,-1.2 0, 0.0 31,-0.0 -0.474 29.2-173.3 -88.1 72.0 -44.4 15.9 -7.6 5 19 A D + 0 0 67 -2,-1.8 31,-1.6 29,-0.1 2,-0.4 -0.505 21.6 157.5 -65.7 95.0 -41.6 13.7 -6.0 6 20 A K E -a 36 0A 96 -2,-1.2 2,-0.3 29,-0.2 31,-0.2 -0.989 27.8-159.6-132.4 127.8 -40.0 12.5 -9.3 7 21 A L E -a 37 0A 2 29,-3.1 31,-2.8 -2,-0.4 2,-0.4 -0.785 9.5-146.1-104.2 148.8 -36.5 11.2 -9.9 8 22 A V E -a 38 0A 30 -2,-0.3 54,-2.1 29,-0.2 55,-1.9 -0.961 12.8-172.4-118.0 132.0 -34.8 11.1 -13.3 9 23 A V E -ab 39 63A 0 29,-2.9 31,-3.1 -2,-0.4 2,-0.7 -0.986 13.4-149.5-123.6 129.5 -32.3 8.4 -14.3 10 24 A W E +a 40 0A 9 53,-2.8 2,-0.3 -2,-0.4 55,-0.1 -0.900 22.3 179.2 -98.5 116.0 -30.2 8.4 -17.5 11 25 A E E -a 41 0A 1 29,-1.8 31,-2.5 -2,-0.7 8,-0.1 -0.846 42.1 -78.3-111.8 151.8 -29.5 4.8 -18.8 12 26 A N - 0 0 28 -2,-0.3 2,-2.2 29,-0.2 31,-0.3 -0.191 41.1-125.2 -48.0 128.9 -27.6 3.8 -21.9 13 27 A A + 0 0 48 1,-0.2 -1,-0.2 29,-0.1 30,-0.1 -0.450 60.4 139.2 -80.4 66.1 -29.7 4.2 -25.0 14 28 A D - 0 0 51 -2,-2.2 3,-0.2 2,-0.1 -1,-0.2 0.347 60.9-133.7 -88.3 5.3 -29.2 0.7 -26.2 15 29 A D S S+ 0 0 156 1,-0.2 2,-0.2 -3,-0.2 -2,-0.1 0.884 81.7 43.7 42.2 44.7 -32.9 0.6 -27.3 16 30 A G S > S- 0 0 30 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 -0.650 107.3 -1.1-171.9-138.6 -32.9 -2.8 -25.5 17 31 A V H > S+ 0 0 47 1,-0.2 4,-2.1 -3,-0.2 5,-0.1 0.767 121.6 47.0 -63.2 -37.6 -31.8 -4.9 -22.6 18 32 A Q H > S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.911 115.9 45.4 -70.9 -44.0 -30.0 -2.3 -20.5 19 33 A L H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.938 115.2 47.4 -63.2 -47.9 -32.7 0.3 -20.9 20 34 A N H X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.900 108.0 54.1 -63.3 -43.2 -35.5 -2.1 -20.1 21 35 A N H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.872 111.5 45.0 -61.4 -38.6 -33.8 -3.7 -17.1 22 36 A T H X S+ 0 0 4 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.889 111.2 53.1 -72.3 -38.7 -33.4 -0.2 -15.4 23 37 A K H X S+ 0 0 93 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.901 109.3 52.5 -56.7 -42.0 -37.0 0.7 -16.4 24 38 A K H X S+ 0 0 93 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.950 114.6 38.0 -54.8 -57.4 -38.0 -2.6 -14.7 25 39 A W H X S+ 0 0 50 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.793 112.1 55.7 -78.0 -29.1 -36.2 -1.9 -11.4 26 40 A A H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.852 107.6 52.4 -65.5 -35.9 -37.0 1.8 -11.2 27 41 A G H X S+ 0 0 34 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.850 106.9 51.9 -67.1 -36.7 -40.7 0.9 -11.6 28 42 A E H X S+ 0 0 85 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.819 107.8 52.4 -67.9 -32.9 -40.2 -1.5 -8.6 29 43 A F H X S+ 0 0 5 -4,-1.5 4,-2.7 2,-0.2 5,-0.4 0.882 109.3 49.6 -67.2 -39.5 -38.7 1.3 -6.6 30 44 A T H X S+ 0 0 28 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.902 109.6 51.2 -64.3 -42.4 -41.8 3.4 -7.5 31 45 A K H < S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 116.5 42.2 -61.4 -35.6 -44.1 0.6 -6.4 32 46 A K H < S+ 0 0 153 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.898 130.5 19.3 -79.0 -45.7 -42.2 0.4 -3.1 33 47 A T H < S- 0 0 60 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.641 91.7-123.3-106.1 -20.8 -41.7 4.1 -2.2 34 48 A G < + 0 0 58 -4,-2.2 2,-0.5 -5,-0.4 -4,-0.2 0.256 66.7 135.6 89.8 -10.8 -44.3 6.0 -4.2 35 49 A I - 0 0 18 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.607 57.0-127.7 -75.6 117.9 -41.5 8.1 -5.8 36 50 A Q E -a 6 0A 123 -31,-1.6 -29,-3.1 -2,-0.5 2,-0.4 -0.460 26.2-165.4 -64.4 130.8 -42.0 8.4 -9.5 37 51 A V E -a 7 0A 26 -31,-0.2 2,-0.6 -2,-0.2 -29,-0.2 -0.986 7.6-161.4-125.5 124.7 -38.9 7.5 -11.5 38 52 A E E -a 8 0A 87 -31,-2.8 -29,-2.9 -2,-0.4 2,-0.7 -0.916 5.0-158.4-106.4 116.6 -38.4 8.3 -15.1 39 53 A V E -a 9 0A 9 -2,-0.6 -29,-0.2 -31,-0.2 -16,-0.1 -0.854 14.2-170.5 -96.9 112.3 -35.7 6.3 -16.9 40 54 A V E -a 10 0A 41 -31,-3.1 -29,-1.8 -2,-0.7 2,-0.5 -0.880 21.6-123.8-108.9 128.7 -34.5 8.2 -20.0 41 55 A P E +a 11 0A 60 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.605 38.4 161.7 -74.6 120.9 -32.2 6.7 -22.7 42 56 A V - 0 0 14 -31,-2.5 5,-0.2 -2,-0.5 -29,-0.1 -0.977 47.8 -98.7-136.3 126.1 -29.0 8.7 -23.3 43 57 A A >> - 0 0 37 -2,-0.4 3,-2.1 -31,-0.3 4,-1.3 -0.100 30.5-123.1 -45.3 132.9 -26.0 7.1 -25.0 44 58 A L T 34 S+ 0 0 24 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.840 111.6 43.5 -44.7 -50.3 -23.4 5.9 -22.5 45 59 A L T 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.422 113.3 52.2 -81.3 -1.3 -20.6 8.0 -24.1 46 60 A K T <> S+ 0 0 148 -3,-2.1 4,-2.4 2,-0.1 -2,-0.2 0.564 87.3 83.3-105.0 -14.7 -22.9 11.1 -24.4 47 61 A Q H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 5,-0.2 0.862 88.8 48.7 -61.0 -43.5 -24.1 11.3 -20.8 48 62 A Q H > S+ 0 0 2 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.909 114.6 45.9 -65.9 -42.2 -21.1 13.1 -19.3 49 63 A E H > S+ 0 0 95 -4,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.886 113.4 50.1 -66.1 -39.2 -21.2 15.8 -22.0 50 64 A K H X S+ 0 0 85 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.882 110.0 49.3 -67.5 -40.5 -25.0 16.1 -21.7 51 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.838 102.8 62.5 -67.4 -33.7 -24.8 16.5 -17.9 52 66 A T H < S+ 0 0 50 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.855 117.1 29.8 -57.4 -36.7 -22.1 19.2 -18.3 53 67 A L H X S+ 0 0 120 -4,-1.0 4,-0.6 -3,-0.3 -2,-0.2 0.909 129.1 35.9 -87.2 -50.7 -24.6 21.3 -20.2 54 68 A D H <>S+ 0 0 28 -4,-3.2 5,-2.7 2,-0.2 6,-0.7 0.826 105.8 67.3 -79.6 -34.6 -28.0 20.3 -18.6 55 69 A G T ><5S+ 0 0 2 -4,-2.0 3,-2.2 -5,-0.3 5,-0.4 0.950 104.0 40.4 -50.9 -65.5 -26.9 19.8 -15.0 56 70 A P T 345S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.755 112.6 59.6 -57.8 -24.2 -26.0 23.4 -14.1 57 71 A A T 3<5S- 0 0 67 -4,-0.6 -2,-0.2 -3,-0.1 -3,-0.1 0.505 117.5-114.8 -80.6 -6.7 -29.2 24.4 -16.1 58 72 A G T < 5S+ 0 0 56 -3,-2.2 -3,-0.2 -4,-0.4 -4,-0.1 0.608 94.3 98.7 84.0 14.8 -31.3 22.3 -13.8 59 73 A K < + 0 0 141 -5,-2.7 -4,-0.3 -6,-0.1 -5,-0.1 0.235 53.1 109.8-118.0 10.2 -32.3 19.8 -16.5 60 74 A G S S- 0 0 22 -6,-0.7 -52,-0.1 -5,-0.4 -9,-0.1 -0.405 71.9 -99.0 -83.1 162.7 -29.9 17.0 -15.8 61 75 A A - 0 0 1 1,-0.1 214,-0.2 -2,-0.1 -52,-0.2 -0.314 16.8-132.0 -74.8 162.6 -30.8 13.6 -14.3 62 76 A D S S+ 0 0 14 -54,-2.1 211,-2.4 1,-0.2 2,-0.4 0.909 97.0 35.2 -76.6 -49.7 -30.4 12.6 -10.7 63 77 A L E S+bC 9 272A 0 -55,-1.9 -53,-2.8 209,-0.2 2,-0.3 -0.924 73.3 172.0-110.1 134.2 -28.6 9.3 -11.5 64 78 A V E - C 0 271A 0 207,-1.8 207,-3.0 -2,-0.4 2,-0.3 -0.827 14.3-148.6-132.2 167.6 -26.3 9.0 -14.5 65 79 A T E + C 0 270A 0 -2,-0.3 -18,-0.2 205,-0.2 205,-0.1 -0.996 25.5 138.4-146.9 138.7 -23.9 6.3 -15.8 66 80 A W E - C 0 269A 6 203,-0.6 203,-0.8 -2,-0.3 -21,-0.1 -0.942 57.0 -73.5-164.5 158.8 -20.6 6.0 -17.7 67 81 A P E > - C 0 268A 12 0, 0.0 3,-1.2 0, 0.0 201,-0.2 -0.266 48.8-114.8 -58.3 147.7 -17.4 3.9 -17.6 68 82 A H G > S+ 0 0 1 199,-2.1 3,-2.1 1,-0.3 4,-0.4 0.540 96.6 89.0 -66.0 -13.5 -15.1 4.9 -14.7 69 83 A D G 3 S+ 0 0 14 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.836 92.2 45.3 -56.6 -33.5 -12.2 6.2 -16.8 70 84 A R G <> S+ 0 0 41 -3,-1.2 4,-2.3 1,-0.2 -1,-0.3 0.137 82.9 102.4 -98.3 20.1 -13.7 9.7 -16.9 71 85 A L H <> S+ 0 0 0 -3,-2.1 4,-3.1 2,-0.2 5,-0.2 0.953 80.1 49.5 -65.6 -52.2 -14.5 9.8 -13.2 72 86 A G H > S+ 0 0 0 266,-1.7 4,-2.5 -4,-0.4 5,-0.2 0.893 113.1 48.7 -53.6 -44.7 -11.6 12.1 -12.2 73 87 A E H > S+ 0 0 21 266,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.950 113.4 46.4 -57.7 -51.0 -12.5 14.4 -15.0 74 88 A A H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 6,-0.7 0.863 114.3 47.6 -61.7 -39.0 -16.2 14.4 -13.9 75 89 A V H ><5S+ 0 0 24 -4,-3.1 3,-0.9 3,-0.2 -1,-0.2 0.901 111.7 49.4 -70.4 -41.8 -15.2 15.0 -10.2 76 90 A T H 3<5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.824 110.1 51.1 -67.5 -34.2 -12.8 17.8 -11.0 77 91 A K T 3<5S- 0 0 79 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.488 116.5-118.2 -78.6 -5.9 -15.4 19.6 -13.2 78 92 A G T < 5S+ 0 0 32 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.777 74.2 131.9 73.3 28.8 -17.8 19.2 -10.3 79 93 A L < + 0 0 4 -5,-2.9 195,-2.4 -6,-0.2 196,-0.4 0.757 65.0 41.8 -78.8 -28.5 -20.3 17.1 -12.2 80 94 A L B -E 273 0B 9 -6,-0.7 193,-0.2 193,-0.3 -2,-0.1 -0.853 64.8-148.7-126.1 155.9 -20.7 14.5 -9.4 81 95 A Q - 0 0 55 191,-2.2 191,-0.5 -2,-0.3 194,-0.0 -0.951 33.2-100.7-121.8 143.4 -21.0 14.3 -5.6 82 96 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 26,-0.3 -0.328 43.1-119.0 -61.7 144.7 -19.8 11.6 -3.2 83 97 A I - 0 0 15 24,-2.1 2,-1.0 26,-0.0 24,-0.2 -0.657 7.9-134.6 -96.2 140.6 -22.5 9.2 -2.1 84 98 A Q + 0 0 183 -2,-0.3 2,-0.3 196,-0.0 -1,-0.0 -0.779 46.3 147.1 -94.8 95.9 -23.6 8.6 1.5 85 99 A V - 0 0 16 -2,-1.0 199,-0.0 202,-0.0 -2,-0.0 -0.953 46.9-101.8-131.2 152.1 -23.9 4.8 1.9 86 100 A D > - 0 0 112 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.222 29.9-115.2 -66.7 156.5 -23.4 2.4 4.8 87 101 A N H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 117.8 57.8 -58.8 -36.7 -20.2 0.2 5.2 88 102 A S H 4 S+ 0 0 73 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.816 103.8 52.3 -64.7 -32.7 -22.4 -2.9 4.7 89 103 A V H >4 S+ 0 0 15 -3,-0.5 3,-1.2 2,-0.2 4,-0.2 0.937 111.1 45.8 -67.0 -49.4 -23.6 -1.5 1.3 90 104 A K H >< S+ 0 0 83 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.879 105.3 62.4 -58.2 -42.2 -19.9 -1.0 0.1 91 105 A N T 3< S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.588 89.7 69.7 -63.4 -13.0 -19.0 -4.5 1.5 92 106 A Q T < S+ 0 0 73 -3,-1.2 217,-2.2 -4,-0.3 218,-0.4 0.621 94.0 70.6 -78.3 -13.5 -21.4 -6.1 -1.0 93 107 A F B < S-F 308 0C 4 -3,-1.8 215,-0.3 215,-0.3 2,-0.1 -0.728 91.9 -93.6-113.3 154.8 -19.2 -5.2 -4.0 94 108 A D > - 0 0 45 213,-2.7 4,-2.0 -2,-0.3 5,-0.2 -0.356 31.5-129.6 -63.1 139.7 -15.8 -6.2 -5.3 95 109 A D H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.817 106.4 55.0 -63.7 -35.8 -12.9 -4.1 -4.1 96 110 A V H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 110.7 46.7 -63.1 -42.4 -11.5 -3.5 -7.7 97 111 A A H > S+ 0 0 0 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.879 113.2 47.1 -68.1 -41.3 -14.9 -2.1 -8.7 98 112 A M H < S+ 0 0 16 -4,-2.0 3,-0.3 2,-0.2 -1,-0.2 0.877 110.8 53.1 -67.0 -39.0 -15.3 0.1 -5.7 99 113 A K H >< S+ 0 0 95 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.887 105.5 54.2 -60.7 -42.6 -11.7 1.4 -6.1 100 114 A A H 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.5 48.1 -63.4 -27.9 -12.5 2.3 -9.7 101 115 A L T 3< S+ 0 0 0 -4,-0.9 7,-2.8 -3,-0.3 8,-0.4 0.255 98.3 88.4 -97.7 10.0 -15.5 4.4 -8.5 102 116 A T E < +G 107 0D 49 -3,-1.5 2,-0.4 5,-0.2 5,-0.2 -0.918 50.9 174.9-109.9 132.8 -13.4 6.1 -5.8 103 117 A Y E > -G 106 0D 54 3,-2.6 3,-1.6 -2,-0.4 -3,-0.0 -0.991 68.2 -2.7-139.8 133.8 -11.5 9.3 -6.5 104 118 A G T 3 S- 0 0 66 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.764 130.6 -56.3 59.6 28.5 -9.5 11.5 -4.0 105 119 A G T 3 S+ 0 0 77 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.453 116.1 112.9 84.6 3.7 -10.6 9.2 -1.2 106 120 A K E < -G 103 0D 108 -3,-1.6 -3,-2.6 -24,-0.0 2,-0.5 -0.894 64.6-130.2-115.8 138.8 -14.3 9.7 -2.0 107 121 A L E +G 102 0D 18 -2,-0.4 -24,-2.1 -5,-0.2 -5,-0.2 -0.732 23.5 177.3 -87.7 128.4 -16.8 7.2 -3.3 108 122 A Y - 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0 0 3 -6,-0.5 -1,-0.3 -68,-0.1 -2,-0.2 -0.662 58.2-118.5 -86.3 131.8 -23.3 -7.7 -18.0 305 319 A I - 0 0 13 -191,-0.4 -191,-2.4 -2,-0.4 -1,-0.1 -0.545 22.1-140.9 -77.0 116.0 -21.3 -9.1 -15.1 306 320 A P - 0 0 0 0, 0.0 2,-2.0 0, 0.0 -193,-0.2 -0.648 7.2-140.1 -78.9 123.8 -22.2 -7.4 -11.8 307 321 A P + 0 0 0 0, 0.0 -213,-2.7 0, 0.0 2,-0.5 -0.263 57.6 134.7 -78.9 51.4 -19.2 -6.8 -9.5 308 322 A Q B > -F 93 0C 3 -2,-2.0 4,-2.7 -215,-0.3 -215,-0.3 -0.905 61.2-128.9-103.9 129.0 -21.2 -7.9 -6.5 309 323 A K H > S+ 0 0 107 -217,-2.2 4,-0.7 -2,-0.5 -1,-0.1 0.846 103.8 38.3 -49.3 -51.5 -19.3 -10.3 -4.3 310 324 A E H >4 S+ 0 0 123 -218,-0.4 3,-0.7 1,-0.2 -1,-0.2 0.888 116.2 51.3 -69.4 -41.6 -21.9 -13.0 -4.0 311 325 A L H >4 S+ 0 0 2 1,-0.2 3,-1.6 2,-0.2 7,-0.3 0.859 100.6 63.6 -65.2 -35.5 -23.1 -12.8 -7.6 312 326 A L H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 110.2 39.3 -59.1 -29.6 -19.5 -13.1 -8.9 313 327 A N T << S+ 0 0 104 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.281 90.8 118.7-102.9 8.9 -19.4 -16.6 -7.5 314 328 A D S X> S- 0 0 55 -3,-1.6 3,-2.6 -4,-0.1 4,-2.6 -0.602 74.5-120.6 -74.8 132.1 -23.0 -17.4 -8.4 315 329 A P H 3> S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.755 109.9 60.9 -42.0 -41.1 -23.2 -20.4 -10.9 316 330 A M H 34 S+ 0 0 47 1,-0.1 7,-0.2 2,-0.1 -4,-0.1 0.702 121.2 25.6 -64.6 -18.6 -24.9 -18.4 -13.6 317 331 A I H X4 S+ 0 0 7 -3,-2.6 3,-0.6 -6,-0.3 10,-0.1 0.803 128.2 37.6-109.4 -53.7 -21.8 -16.1 -13.8 318 332 A K H 3< S+ 0 0 106 -4,-2.6 -2,-0.1 -7,-0.3 -5,-0.1 0.769 124.2 40.3 -75.8 -25.5 -18.8 -18.1 -12.5 319 333 A N T 3< S+ 0 0 119 -4,-1.3 -1,-0.2 -5,-0.4 -3,-0.1 0.168 87.1 104.2-113.2 16.3 -19.8 -21.4 -14.1 320 334 A N <> - 0 0 59 -3,-0.6 4,-3.8 1,-0.1 5,-0.2 -0.903 62.7-149.0 -99.4 111.5 -21.1 -20.1 -17.4 321 335 A P H > S+ 0 0 98 0, 0.0 4,-1.3 0, 0.0 -71,-0.2 0.765 97.3 50.9 -51.1 -34.6 -18.5 -20.8 -20.2 322 336 A V H > S+ 0 0 24 2,-0.2 4,-0.8 1,-0.2 3,-0.2 0.948 117.4 37.8 -69.0 -50.6 -19.5 -17.7 -22.2 323 337 A V H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.876 110.4 63.7 -66.4 -38.8 -19.2 -15.4 -19.1 324 338 A N H X S+ 0 0 50 -4,-3.8 4,-2.6 1,-0.2 -1,-0.2 0.836 96.0 57.8 -53.9 -40.8 -16.1 -17.4 -17.9 325 339 A G H X S+ 0 0 4 -4,-1.3 4,-1.7 -3,-0.2 -1,-0.2 0.881 108.9 44.6 -59.0 -42.5 -14.1 -16.3 -21.0 326 340 A F H X S+ 0 0 3 -4,-0.8 4,-2.6 -3,-0.5 -2,-0.2 0.892 112.2 52.8 -67.2 -42.0 -14.6 -12.6 -20.2 327 341 A A H X S+ 0 0 47 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.909 109.3 48.4 -60.5 -46.3 -13.8 -13.2 -16.5 328 342 A K H < S+ 0 0 104 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.900 113.0 47.7 -60.9 -44.1 -10.5 -14.9 -17.3 329 343 A Q H >< S+ 0 0 1 -4,-1.7 3,-1.6 1,-0.2 -66,-0.4 0.915 109.8 52.4 -64.4 -43.6 -9.5 -12.2 -19.7 330 344 A A H >< S+ 0 0 22 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.792 99.0 64.9 -63.1 -28.6 -10.4 -9.4 -17.1 331 345 A S T 3< S+ 0 0 77 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.641 106.0 44.4 -68.7 -14.4 -8.2 -11.2 -14.5 332 346 A K T < S+ 0 0 89 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.353 103.3 88.8-107.2 -0.7 -5.2 -10.4 -16.8 333 347 A G < - 0 0 16 -3,-1.2 -69,-0.2 -4,-0.2 -71,-0.1 -0.201 69.1-125.3 -93.1-177.5 -6.3 -6.8 -17.5 334 348 A V E -o 264 0J 38 -71,-2.3 -69,-2.5 -2,-0.1 -2,-0.1 -0.991 29.6-107.6-128.9 137.4 -5.7 -3.4 -15.9 335 349 A P E -o 265 0J 48 0, 0.0 -69,-0.2 0, 0.0 3,-0.1 -0.386 44.5-102.1 -60.0 140.8 -8.4 -0.9 -14.8 336 350 A M - 0 0 7 -71,-2.1 -69,-0.1 1,-0.1 6,-0.0 -0.374 44.6 -98.9 -56.4 138.3 -8.5 2.1 -17.0 337 351 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -155,-0.0 -0.320 34.3-168.1 -53.9 146.5 -6.8 5.1 -15.5 338 352 A S + 0 0 21 -268,-0.1 -266,-1.7 -3,-0.1 -265,-0.2 0.268 40.8 124.9-125.2 9.0 -9.4 7.4 -13.9 339 353 A I S > S- 0 0 5 -267,-0.2 3,-2.2 -158,-0.1 -266,-0.3 -0.307 76.7-105.2 -64.8 153.4 -7.3 10.5 -13.2 340 354 A P G > S+ 0 0 13 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.827 117.5 65.7 -50.8 -37.6 -8.6 13.8 -14.7 341 355 A E G > S+ 0 0 29 1,-0.3 3,-1.2 -158,-0.2 4,-0.5 0.656 83.4 75.9 -63.9 -13.7 -5.9 13.8 -17.4 342 356 A M G X> S+ 0 0 0 -3,-2.2 4,-0.8 1,-0.3 3,-0.7 0.759 81.6 70.5 -65.1 -24.0 -7.6 10.7 -18.9 343 357 A G G <4 S+ 0 0 26 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.1 0.178 99.4 47.1 -79.4 16.5 -10.3 13.1 -20.2 344 358 A V G <4 S+ 0 0 17 -3,-1.2 -1,-0.2 3,-0.0 -2,-0.2 0.453 99.7 70.1-123.0 -15.6 -7.8 14.4 -22.7 345 359 A V T <> S+ 0 0 0 -3,-0.7 4,-2.2 -4,-0.5 5,-0.2 0.909 84.4 61.1 -73.9 -48.4 -6.4 11.1 -24.0 346 360 A W H X S+ 0 0 44 -4,-0.8 4,-2.6 1,-0.2 5,-0.3 0.839 100.5 47.2 -60.4 -49.5 -9.3 9.5 -26.0 347 361 A E H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.960 117.4 40.4 -61.7 -55.6 -9.9 11.9 -28.9 348 362 A P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.897 117.1 49.4 -61.6 -39.4 -6.3 12.5 -29.9 349 363 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.919 113.9 45.1 -65.5 -41.8 -5.3 8.8 -29.5 350 364 A N H X S+ 0 0 38 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.876 111.7 53.1 -68.3 -37.5 -8.3 7.6 -31.5 351 365 A N H X S+ 0 0 72 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.881 106.0 54.6 -59.7 -40.8 -7.6 10.3 -34.1 352 366 A A H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.912 106.5 50.8 -58.5 -45.8 -4.0 8.9 -34.3 353 367 A H H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.900 109.7 51.1 -57.3 -43.4 -5.5 5.4 -35.0 354 368 A T H X S+ 0 0 51 -4,-1.9 4,-2.6 -196,-0.2 -2,-0.2 0.920 108.5 49.8 -63.2 -47.2 -7.6 6.9 -37.8 355 369 A F H <>S+ 0 0 91 -4,-2.4 5,-2.8 2,-0.2 6,-1.6 0.869 115.1 45.5 -58.2 -39.3 -4.6 8.7 -39.5 356 370 A V H ><5S+ 0 0 4 -4,-1.9 3,-1.3 3,-0.2 -2,-0.2 0.943 113.4 47.9 -68.6 -50.6 -2.7 5.4 -39.3 357 371 A A H 3<5S+ 0 0 8 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.869 111.9 50.1 -57.3 -41.2 -5.5 3.2 -40.6 358 372 A Q T 3<5S- 0 0 61 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.429 113.0-119.7 -81.6 -0.3 -6.2 5.6 -43.5 359 373 A G T < 5S+ 0 0 66 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.819 81.4 118.2 66.7 33.6 -2.5 5.6 -44.5 360 374 A K S - 0 0 79 -2,-0.3 4,-3.1 -3,-0.1 5,-0.3 -0.413 36.1-106.2 -75.1 157.4 2.9 7.0 -39.8 363 377 A P H > S+ 0 0 6 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.871 121.9 49.4 -48.8 -43.0 2.6 5.5 -36.2 364 378 A E H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 114.1 42.7 -63.5 -49.8 5.5 7.8 -35.1 365 379 A Q H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 115.4 49.9 -65.9 -42.5 4.0 11.0 -36.6 366 380 A A H X S+ 0 0 2 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.915 115.1 41.8 -61.0 -47.3 0.5 10.2 -35.4 367 381 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.883 112.9 52.5 -73.3 -39.9 1.5 9.4 -31.8 368 382 A N H X S+ 0 0 55 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.916 113.8 44.6 -58.4 -45.7 4.0 12.3 -31.5 369 383 A D H X S+ 0 0 54 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.878 112.3 53.3 -63.5 -40.3 1.2 14.7 -32.7 370 384 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 109.6 45.2 -65.7 -45.5 -1.3 13.1 -30.4 371 385 A V H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.857 109.8 55.7 -69.6 -36.1 0.7 13.4 -27.2 372 386 A K H X S+ 0 0 130 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.933 110.7 45.9 -57.7 -45.6 1.6 17.0 -28.0 373 387 A I H X S+ 0 0 70 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.908 111.2 52.1 -64.3 -45.5 -2.1 17.7 -28.3 374 388 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.943 110.2 47.9 -54.1 -52.5 -2.9 15.9 -25.0 375 389 A K H X S+ 0 0 104 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.867 110.7 52.7 -59.1 -39.1 -0.2 17.9 -23.1 376 390 A E H < S+ 0 0 106 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.905 109.5 47.3 -62.4 -45.1 -1.6 21.1 -24.6 377 391 A K H >< S+ 0 0 111 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.786 106.0 59.2 -69.6 -29.9 -5.2 20.4 -23.4 378 392 A I H >< S+ 0 0 5 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.823 91.7 68.7 -68.2 -31.7 -4.0 19.4 -19.9 379 393 A Q T 3< S+ 0 0 122 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 0.221 99.8 50.7 -74.3 16.9 -2.5 22.9 -19.5 380 394 A T T < S+ 0 0 119 -3,-1.0 -1,-0.3 1,-0.0 -2,-0.2 0.219 81.8 93.0-130.7 6.9 -6.1 24.3 -19.4 381 395 A M S < S+ 0 0 62 -3,-2.0 2,-0.3 2,-0.1 -2,-0.1 0.024 75.2 82.1 -90.8 27.1 -7.5 21.8 -16.8 382 396 A K 0 0 171 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 -0.932 360.0 360.0-135.5 155.5 -6.8 24.3 -13.9 383 397 A Q 0 0 272 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.446 360.0 360.0 -71.5 360.0 -8.3 27.3 -12.2