==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-MAR-06 2GH9 . COMPND 2 MOLECULE: MALTOSE/MALTODEXTRIN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.J.CUNEO,A.CHANGELA,L.S.BEESE,H.W.HELLINGA . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 10.1 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 . 1 0.3 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 . 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 . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 0 5 1 0 0 2 4 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 2 A K 0 0 125 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 126.5 -1.6 29.5 18.8 2 3 A I E -a 31 0A 0 28,-2.6 30,-2.5 279,-0.1 2,-0.4 -0.858 360.0-139.5-110.4 154.1 0.7 26.9 20.3 3 4 A T E -a 32 0A 36 -2,-0.3 54,-1.4 28,-0.2 53,-1.1 -0.905 8.9-159.8-116.7 142.9 4.5 27.2 20.6 4 5 A V E -ab 33 57A 0 28,-3.0 30,-3.4 -2,-0.4 2,-0.4 -0.987 6.2-152.6-119.6 123.0 7.2 24.6 19.9 5 6 A W E +ab 34 58A 23 52,-2.3 54,-2.0 -2,-0.5 2,-0.3 -0.849 26.0 174.6 -87.4 133.0 10.7 24.7 21.3 6 7 A T E -a 35 0A 0 28,-2.5 30,-2.1 -2,-0.4 54,-0.2 -0.997 38.5-160.1-140.8 148.4 13.2 22.8 19.1 7 8 A H + 0 0 36 -2,-0.3 31,-0.2 53,-0.3 53,-0.1 0.261 61.6 120.1-100.1 6.7 17.0 22.2 18.9 8 9 A F + 0 0 4 51,-0.4 2,-0.3 4,-0.1 28,-0.1 -0.392 36.8 175.1 -73.1 148.1 16.7 21.2 15.3 9 10 A G >> + 0 0 32 -2,-0.1 4,-1.3 26,-0.1 3,-1.0 -0.819 45.0 10.9-135.0 178.6 18.4 23.0 12.5 10 11 A G H 3> S- 0 0 25 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.102 126.9 -7.1 59.0-144.6 18.9 22.6 8.8 11 12 A P H 3> S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.821 136.1 56.3 -51.8 -36.9 16.7 20.1 6.9 12 13 A E H <> S+ 0 0 5 -3,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.921 108.9 46.1 -64.2 -44.3 15.3 18.8 10.2 13 14 A L H X S+ 0 0 14 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.863 109.2 55.5 -61.9 -41.2 14.1 22.2 11.2 14 15 A E H X S+ 0 0 112 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 106.7 50.6 -63.0 -41.4 12.7 22.7 7.7 15 16 A W H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.932 110.9 49.0 -55.1 -48.9 10.6 19.5 8.1 16 17 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.889 110.3 50.3 -61.8 -40.6 9.3 20.7 11.5 17 18 A K H X S+ 0 0 60 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.890 111.0 50.1 -63.9 -41.0 8.4 24.2 10.0 18 19 A E H X S+ 0 0 97 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.902 109.4 49.7 -62.8 -47.4 6.5 22.4 7.2 19 20 A Q H X S+ 0 0 19 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.841 110.1 52.4 -61.1 -33.1 4.6 20.2 9.6 20 21 A A H X S+ 0 0 4 -4,-1.7 4,-1.3 2,-0.2 11,-0.2 0.889 110.5 46.8 -69.1 -41.4 3.7 23.3 11.6 21 22 A R H >X S+ 0 0 129 -4,-2.0 4,-0.9 2,-0.2 3,-0.7 0.963 112.0 50.6 -62.6 -52.4 2.4 25.0 8.4 22 23 A T H >X S+ 0 0 42 -4,-2.9 4,-2.5 1,-0.2 3,-0.7 0.851 107.1 54.5 -53.4 -40.6 0.4 21.9 7.5 23 24 A F H 3< S+ 0 0 9 -4,-2.0 6,-0.6 1,-0.2 5,-0.4 0.809 101.6 58.3 -66.6 -31.2 -1.2 21.7 11.0 24 25 A E H > - 0 0 75 0, 0.0 3,-2.1 0, 0.0 4,-1.0 -0.419 32.3-122.5 -61.1 139.1 20.1 25.6 21.7 38 39 A F H >> S+ 0 0 92 1,-0.3 3,-0.8 -31,-0.2 4,-0.6 0.855 109.2 55.4 -48.5 -45.0 20.0 21.9 22.9 39 40 A A H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.501 110.6 46.1 -74.7 -6.3 22.1 22.6 26.0 40 41 A E H <> S+ 0 0 111 -3,-2.1 4,-1.9 2,-0.1 -1,-0.2 0.569 91.7 80.8-105.7 -16.4 19.7 25.3 27.2 41 42 A I H S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.921 113.5 52.4 -64.5 -43.8 16.6 24.3 32.3 44 45 A K H X S+ 0 0 91 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.896 115.7 41.0 -58.5 -42.3 14.4 26.7 30.3 45 46 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 3,-0.2 -2,-0.2 0.895 115.5 47.0 -74.2 -46.8 11.5 24.2 30.4 46 47 A I H < S+ 0 0 25 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.949 122.7 35.4 -62.9 -49.0 11.8 22.9 33.9 47 48 A L H < S+ 0 0 103 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.912 125.0 41.4 -71.6 -44.0 12.1 26.4 35.4 48 49 A G H ><>S+ 0 0 6 -4,-1.9 5,-2.4 -5,-0.5 3,-1.1 0.804 98.0 73.6 -74.3 -31.1 9.7 28.1 33.0 49 50 A A G ><5S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 5,-0.2 0.922 98.3 44.0 -57.0 -53.0 7.0 25.5 32.8 50 51 A P G 3 5S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.609 112.0 56.1 -70.5 -10.8 5.4 26.1 36.2 51 52 A Q G < 5S- 0 0 127 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.319 116.8-109.5 -96.1 4.8 5.6 29.9 35.7 52 53 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 -4,-0.3 -4,-0.1 0.633 92.3 110.3 75.8 15.8 3.6 29.9 32.4 53 54 A Q < + 0 0 125 -5,-2.4 -4,-0.2 -6,-0.1 2,-0.2 0.385 51.7 84.9-108.9 -1.3 6.9 30.8 30.6 54 55 A A S S- 0 0 16 -6,-0.6 -51,-0.1 -5,-0.2 -9,-0.1 -0.647 81.2 -91.7-102.8 162.2 7.6 27.6 28.6 55 56 A A - 0 0 1 -2,-0.2 -51,-0.2 1,-0.1 -1,-0.1 -0.173 32.3-114.6 -63.9 161.3 6.5 26.3 25.1 56 57 A D S S+ 0 0 21 -53,-1.1 217,-2.2 1,-0.1 2,-0.3 0.755 95.5 4.2 -70.8 -28.2 3.4 24.1 24.7 57 58 A L E -bC 4 272A 0 -54,-1.4 -52,-2.3 215,-0.2 2,-0.5 -0.980 62.0-135.8-151.3 161.7 5.6 21.3 23.4 58 59 A V E -bC 5 271A 0 213,-2.1 213,-1.8 -2,-0.3 2,-0.5 -0.996 19.4-144.7-121.2 120.7 9.3 20.3 22.9 59 60 A V E S+ 0 0 1 -54,-2.0 -51,-0.4 -2,-0.5 -52,-0.3 -0.928 80.0 0.9-118.0 99.3 10.1 18.6 19.6 60 61 A T E + 0 0 0 209,-0.5 -1,-0.3 -2,-0.5 -53,-0.3 0.726 61.9 172.7-126.7 168.8 12.3 16.8 20.7 61 62 A V E - C 0 269A 0 208,-2.7 208,-2.4 -3,-0.4 2,-0.2 -0.910 37.7-114.6-111.2 149.3 13.9 15.9 24.0 62 63 A P E > - C 0 268A 4 0, 0.0 3,-1.6 0, 0.0 206,-0.2 -0.543 29.3-118.7 -76.4 147.3 16.4 13.1 24.6 63 64 A H G > S+ 0 0 1 204,-2.0 3,-1.7 1,-0.3 4,-0.4 0.666 105.0 75.1 -64.8 -19.0 15.0 10.5 27.0 64 65 A D G 3 S+ 0 0 13 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.790 91.8 59.5 -64.8 -22.3 17.7 11.0 29.7 65 66 A W G <> S+ 0 0 14 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.581 82.9 88.3 -74.2 -11.3 15.8 14.2 30.6 66 67 A V H <> S+ 0 0 0 -3,-1.7 4,-3.2 1,-0.2 5,-0.2 0.907 84.1 47.0 -65.1 -50.8 12.6 12.3 31.4 67 68 A G H > S+ 0 0 0 269,-2.1 4,-2.3 -4,-0.4 -1,-0.2 0.916 116.1 44.4 -56.3 -50.6 13.0 11.4 35.1 68 69 A E H > S+ 0 0 58 -4,-0.4 4,-1.1 269,-0.3 -1,-0.2 0.874 117.5 44.9 -61.9 -42.8 14.2 15.0 36.1 69 70 A M H <>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 6,-0.4 0.902 112.1 51.5 -67.9 -43.2 11.5 16.7 34.1 70 71 A A H ><5S+ 0 0 22 -4,-3.2 3,-1.5 1,-0.2 -2,-0.2 0.909 109.1 51.1 -61.1 -43.8 8.7 14.3 35.3 71 72 A Q H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.1 57.7 -61.9 -30.5 9.8 15.0 38.9 72 73 A A T 3<5S- 0 0 37 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.446 112.0-126.3 -77.7 -1.4 9.6 18.7 38.2 73 74 A G T < 5S+ 0 0 38 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.584 76.1 121.6 73.3 12.8 6.0 18.0 37.3 74 75 A V < + 0 0 0 -5,-1.8 200,-2.0 200,-0.1 2,-0.4 0.535 46.5 84.7 -93.2 -6.1 6.5 19.7 33.9 75 76 A L B S-F 273 0B 6 -6,-0.4 198,-0.2 198,-0.2 31,-0.1 -0.818 71.1-134.1-101.5 132.0 5.6 16.8 31.5 76 77 A E - 0 0 11 196,-2.9 196,-0.5 -2,-0.4 2,-0.2 -0.721 26.0-121.2 -78.0 121.5 2.0 15.9 30.5 77 78 A P - 0 0 33 0, 0.0 28,-0.2 0, 0.0 3,-0.1 -0.505 29.6-171.6 -57.1 132.1 1.3 12.2 30.7 78 79 A V > + 0 0 5 26,-1.9 3,-1.5 -2,-0.2 4,-0.3 0.472 56.6 95.1-113.1 -5.1 0.4 11.2 27.1 79 80 A G G > S+ 0 0 33 25,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.856 81.4 58.6 -58.5 -38.8 -0.8 7.6 27.4 80 81 A K G 3 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.695 104.4 52.5 -64.8 -20.0 -4.5 8.6 27.7 81 82 A Y G < S+ 0 0 58 -3,-1.5 2,-0.3 2,-0.1 -1,-0.2 0.413 102.3 70.5 -94.9 -0.8 -4.3 10.4 24.3 82 83 A V S < S- 0 0 22 -3,-1.3 2,-0.2 -4,-0.3 205,-0.0 -0.842 72.9-122.9-125.1 153.5 -2.9 7.4 22.3 83 84 A T > - 0 0 85 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.499 23.2-119.3 -91.6 161.0 -4.1 4.0 21.1 84 85 A Q H > S+ 0 0 142 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.821 115.3 60.2 -64.9 -34.6 -2.7 0.5 21.7 85 86 A A H > S+ 0 0 75 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.931 106.6 45.4 -58.6 -47.1 -2.2 0.2 18.0 86 87 A Y H >> S+ 0 0 47 2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.977 117.0 45.3 -59.3 -53.0 0.2 3.2 18.1 87 88 A L H >< S+ 0 0 47 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.878 108.0 56.8 -58.5 -43.5 1.9 1.8 21.2 88 89 A A H 3< S+ 0 0 51 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 102.6 56.2 -58.9 -30.2 2.2 -1.7 19.8 89 90 A D H << S+ 0 0 44 -4,-1.2 220,-3.3 -3,-0.8 221,-0.4 0.620 90.1 95.5 -80.7 -12.4 4.1 -0.4 16.8 90 91 A L B << S-G 308 0C 8 -3,-1.4 218,-0.2 -4,-0.5 2,-0.1 -0.566 84.9-106.8 -80.2 140.6 6.8 1.2 18.9 91 92 A Q >> - 0 0 55 216,-2.5 4,-1.8 -2,-0.2 3,-0.8 -0.424 29.5-122.1 -59.6 134.1 10.1 -0.5 19.7 92 93 A G H 3> S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.823 109.5 53.5 -46.2 -44.9 10.2 -1.7 23.4 93 94 A V H 3> S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.840 107.7 51.8 -65.9 -32.6 13.3 0.3 24.3 94 95 A A H <> S+ 0 0 0 -3,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.885 109.9 48.5 -71.0 -41.0 11.7 3.5 23.0 95 96 A V H >< S+ 0 0 42 -4,-1.8 3,-0.5 2,-0.2 4,-0.3 0.951 114.0 47.0 -58.2 -49.8 8.6 2.9 25.1 96 97 A E H >< S+ 0 0 136 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.867 105.5 59.8 -62.9 -38.7 10.8 2.2 28.1 97 98 A A H 3< S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -31,-0.2 0.864 112.7 38.2 -57.3 -37.6 13.0 5.3 27.5 98 99 A F T << S+ 0 0 0 -4,-1.3 7,-3.5 -3,-0.5 2,-0.5 0.272 96.1 100.0-102.2 12.8 9.9 7.6 27.8 99 100 A T E < +H 104 0D 44 -3,-1.2 2,-0.3 -4,-0.3 5,-0.2 -0.861 42.4 161.9-100.3 126.7 8.3 5.7 30.7 100 101 A F E > +H 103 0D 50 3,-2.8 3,-1.2 -2,-0.5 -3,-0.0 -0.980 66.5 8.3-145.9 134.4 8.7 7.1 34.2 101 102 A G T 3 S- 0 0 68 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.810 132.2 -61.5 64.8 29.6 6.7 6.3 37.4 102 103 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.555 117.9 107.3 71.3 10.4 4.9 3.6 35.3 103 104 A R E < S-H 100 0D 155 -3,-1.2 -3,-2.8 -24,-0.0 2,-0.6 -0.915 76.3-115.3-123.7 148.1 3.6 6.2 32.9 104 105 A L E -H 99 0D 21 -2,-0.4 -26,-1.9 -5,-0.2 -25,-0.7 -0.702 30.5-176.2 -77.3 119.8 4.4 7.2 29.3 105 106 A M + 0 0 15 -7,-3.5 2,-0.3 -2,-0.6 167,-0.3 0.286 60.3 0.4-108.4 7.7 5.7 10.8 29.6 106 107 A G S S- 0 0 0 -8,-0.3 165,-0.2 165,-0.1 -28,-0.1 -0.964 80.8 -86.9-176.8 173.3 6.2 11.6 25.9 107 108 A L E -D 270 0A 5 163,-3.0 163,-2.5 -2,-0.3 2,-0.2 -0.897 41.8-134.5 -99.6 111.0 5.8 10.2 22.4 108 109 A P E +D 269 0A 1 0, 0.0 161,-0.3 0, 0.0 199,-0.1 -0.447 38.3 157.6 -67.3 133.1 8.9 8.3 21.3 109 110 A A E + 0 0 1 159,-2.5 198,-2.0 1,-0.4 199,-0.4 0.746 48.4 21.0-123.5 -55.4 10.0 9.3 17.8 110 111 A F E -DE 268 306A 4 158,-2.1 158,-3.0 196,-0.2 -1,-0.4 -0.929 51.7-149.1-133.1 146.4 13.6 8.7 16.9 111 112 A A E +DE 267 305A 11 194,-3.3 194,-2.6 -2,-0.3 2,-0.3 -0.871 25.9 166.3-111.4 150.5 16.6 6.6 17.9 112 113 A E E +D 266 0A 8 154,-2.0 154,-2.5 -2,-0.3 2,-0.3 -0.988 13.6 171.5-156.8 159.1 20.1 7.7 17.6 113 114 A S - 0 0 0 -2,-0.3 152,-0.1 152,-0.2 2,-0.1 -0.960 39.1 -94.9-159.3 162.0 23.7 7.1 18.6 114 115 A V + 0 0 2 150,-0.4 2,-0.3 -2,-0.3 118,-0.2 -0.435 48.3 164.6 -72.5 159.0 27.2 8.3 17.8 115 116 A A E -I 231 0E 0 116,-1.7 116,-2.1 -2,-0.1 2,-0.9 -0.962 48.1 -77.3-161.3 170.0 29.1 6.3 15.2 116 117 A L E -IJ 230 249E 1 133,-2.6 133,-2.4 -2,-0.3 2,-0.6 -0.731 47.2-171.0 -79.1 107.5 32.2 6.5 13.0 117 118 A I E -IJ 229 248E 0 112,-2.8 112,-2.5 -2,-0.9 2,-0.4 -0.933 7.1-167.9-104.7 119.9 31.0 8.6 10.1 118 119 A Y E -IJ 228 247E 20 129,-2.0 129,-2.2 -2,-0.6 2,-0.7 -0.931 22.8-128.5-118.9 135.1 33.6 8.6 7.3 119 120 A N E >> - J 0 246E 6 108,-2.8 4,-2.2 -2,-0.4 3,-2.0 -0.733 17.2-147.1 -81.7 115.1 33.8 10.8 4.2 120 121 A K T 34 S+ 0 0 68 125,-2.9 -1,-0.1 -2,-0.7 126,-0.1 0.490 92.8 71.2 -67.7 -7.8 34.2 8.5 1.2 121 122 A K T 34 S+ 0 0 122 124,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.779 117.3 22.8 -69.8 -32.4 36.3 11.0 -0.7 122 123 A Y T <4 S+ 0 0 56 -3,-2.0 2,-0.5 1,-0.2 -2,-0.2 0.715 133.3 38.3 -99.8 -32.7 39.1 10.2 1.9 123 124 A V < + 0 0 5 -4,-2.2 -1,-0.2 104,-0.2 -2,-0.1 -0.897 53.7 178.2-132.5 101.8 37.9 6.7 3.1 124 125 A K S S+ 0 0 143 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.901 78.3 20.5 -70.6 -42.3 36.5 4.3 0.6 125 126 A E S S- 0 0 158 122,-0.0 -1,-0.2 -5,-0.0 3,-0.1 -0.973 93.4 -98.4-129.8 146.5 36.0 1.4 3.1 126 127 A P - 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D 0 112A 0 -154,-2.5 -154,-2.0 -2,-0.5 2,-0.5 -0.964 10.1-153.8-119.8 141.4 19.3 7.9 22.8 267 268 A V E - D 0 111A 8 -2,-0.4 -204,-2.0 -156,-0.2 2,-0.5 -0.981 7.5-154.5-115.0 124.6 15.6 8.2 22.1 268 269 A Q E +CD 62 110A 3 -158,-3.0 -159,-2.5 -2,-0.5 -158,-2.1 -0.846 23.4 171.8 -93.6 133.6 14.2 11.5 21.0 269 270 A G E -CD 61 108A 0 -208,-2.4 -208,-2.7 -2,-0.5 -209,-0.5 -0.953 35.3-109.1-141.7 159.1 10.6 12.1 21.8 270 271 A V E - D 0 107A 3 -163,-2.5 -163,-3.0 -2,-0.3 2,-0.4 -0.742 34.6-168.4 -86.6 132.5 7.9 14.8 21.8 271 272 A V E -C 58 0A 0 -213,-1.8 -213,-2.1 -2,-0.4 2,-0.4 -0.939 11.9-142.0-121.8 145.2 6.8 16.1 25.2 272 273 A V E -C 57 0A 4 -196,-0.5 -196,-2.9 -2,-0.4 2,-0.4 -0.870 26.1-111.9-106.1 138.7 3.8 18.2 26.1 273 274 A N B > -F 75 0B 3 -217,-2.2 3,-2.2 -2,-0.4 -198,-0.2 -0.589 15.5-146.0 -68.4 120.0 4.0 20.9 28.7 274 275 A A T 3 S+ 0 0 22 -200,-2.0 -1,-0.1 -2,-0.4 -199,-0.1 0.712 101.8 52.5 -59.7 -19.9 1.8 19.9 31.7 275 276 A Y T 3 S+ 0 0 101 -201,-0.4 -1,-0.3 3,-0.0 2,-0.2 0.186 78.2 137.9-102.0 13.9 1.1 23.7 32.1 276 277 A S X - 0 0 12 -3,-2.2 3,-0.7 -220,-0.2 -221,-0.1 -0.437 48.0-152.2 -60.2 127.9 -0.0 24.2 28.5 277 278 A K T 3 S+ 0 0 181 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.0 0.257 98.2 41.5 -76.7 11.0 -3.1 26.5 28.2 278 279 A N T 3> + 0 0 70 -222,-0.1 4,-2.4 2,-0.0 3,-0.3 -0.229 66.5 149.5-151.1 49.4 -3.8 24.6 24.9 279 280 A K H <> + 0 0 59 -3,-0.7 4,-3.3 1,-0.2 5,-0.3 0.859 69.6 60.4 -57.4 -40.5 -3.1 20.9 25.6 280 281 A T H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 113.2 35.5 -53.1 -54.0 -5.7 19.6 23.2 281 282 A Q H > S+ 0 0 59 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.895 116.7 54.0 -70.3 -42.6 -4.1 21.2 20.1 282 283 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 112.4 45.2 -53.4 -48.5 -0.5 20.7 21.4 283 284 A V H X S+ 0 0 8 -4,-3.3 4,-2.3 -5,-0.2 -2,-0.2 0.931 112.8 49.8 -63.4 -45.8 -1.3 17.0 21.8 284 285 A N H X S+ 0 0 70 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.923 112.5 48.0 -60.4 -42.5 -3.0 16.7 18.4 285 286 A F H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.927 109.6 52.3 -66.2 -44.4 -0.0 18.5 16.8 286 287 A A H >X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 3,-0.6 0.895 107.1 53.6 -53.7 -42.1 2.5 16.2 18.5 287 288 A K H >< S+ 0 0 78 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.863 102.4 57.8 -67.4 -33.1 0.5 13.2 17.2 288 289 A T H >< S+ 0 0 47 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.821 102.3 56.6 -61.9 -31.6 0.8 14.4 13.6 289 290 A L H << S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.698 104.6 50.3 -76.1 -20.7 4.6 14.5 13.9 290 291 A V T << S+ 0 0 12 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.240 74.8 123.4-112.6 14.0 5.0 10.8 14.8 291 292 A T S <> S- 0 0 67 -3,-0.7 4,-2.7 -4,-0.3 3,-0.4 -0.396 77.6-106.3 -63.1 151.7 2.9 9.0 12.2 292 293 A G H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 120.5 51.2 -44.3 -50.0 4.9 6.4 10.1 293 294 A R H > S+ 0 0 219 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 111.6 45.6 -60.4 -42.2 5.0 8.7 7.1 294 295 A N H > S+ 0 0 24 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.879 110.3 53.2 -72.4 -37.6 6.3 11.7 9.1 295 296 A L H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.908 111.8 46.9 -60.3 -41.1 9.0 9.6 10.9 296 297 A V H X S+ 0 0 19 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.2 51.6 -65.3 -46.7 10.2 8.4 7.5 297 298 A A H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.919 108.3 51.3 -56.1 -46.5 10.2 11.9 6.1 298 299 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.913 110.2 49.4 -59.9 -42.5 12.2 13.1 9.0 299 300 A N H < S+ 0 0 0 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.911 111.5 49.2 -61.8 -40.9 14.8 10.3 8.4 300 301 A Q H < S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 113.0 46.5 -69.1 -37.6 15.0 11.2 4.8 301 302 A A H < S- 0 0 31 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.855 140.5 -8.5 -67.4 -38.6 15.5 14.9 5.5 302 303 A G S < S- 0 0 0 -4,-2.2 -3,-0.2 -5,-0.2 -62,-0.1 0.489 87.2-105.1-123.0 -97.7 18.1 14.2 8.2 303 304 A G + 0 0 0 -5,-0.3 -4,-0.2 -67,-0.1 -69,-0.2 0.434 57.9 135.1 174.3 0.5 18.9 10.7 9.5 304 305 A R - 0 0 8 -6,-0.3 -192,-0.2 -71,-0.3 -2,-0.1 -0.376 58.8-110.9 -68.6 147.9 17.6 9.8 12.9 305 306 A I E -E 111 0A 8 -194,-2.6 -194,-3.3 1,-0.1 -1,-0.1 -0.671 25.4-116.1 -92.8 126.6 16.1 6.4 13.0 306 307 A P E -E 110 0A 0 0, 0.0 -196,-0.2 0, 0.0 -197,-0.1 -0.243 9.1-150.9 -52.5 141.1 12.3 5.9 13.5 307 308 A V + 0 0 0 -198,-2.0 -216,-2.5 -199,-0.1 2,-0.7 0.391 69.8 106.3 -91.8 0.3 11.3 4.0 16.6 308 309 A S B > -G 90 0C 3 -199,-0.4 4,-2.8 -218,-0.2 -218,-0.2 -0.727 65.4-150.9 -75.5 116.2 8.2 2.8 14.7 309 310 A K H > S+ 0 0 118 -220,-3.3 4,-2.2 -2,-0.7 5,-0.2 0.942 99.2 50.1 -46.7 -53.2 8.8 -0.9 13.9 310 311 A S H > S+ 0 0 70 -221,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.930 112.4 44.4 -50.4 -56.7 6.6 -0.4 10.8 311 312 A A H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.860 111.5 54.7 -62.7 -36.9 8.5 2.6 9.6 312 313 A V H < S+ 0 0 34 -4,-2.8 3,-0.3 2,-0.2 -1,-0.2 0.922 106.7 49.0 -63.1 -47.5 11.9 1.0 10.3 313 314 A K H >< S+ 0 0 159 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.873 106.2 59.4 -59.5 -37.2 11.2 -2.1 8.2 314 315 A Q H 3< S+ 0 0 133 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.882 112.1 38.3 -59.2 -37.8 10.1 0.3 5.4 315 316 A L T >< S+ 0 0 18 -4,-1.3 3,-1.7 -3,-0.3 7,-0.3 0.120 78.4 124.6 -98.4 21.1 13.6 1.8 5.4 316 317 A E T < S+ 0 0 135 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.818 80.0 41.0 -51.7 -35.3 15.4 -1.5 6.0 317 318 A K T 3 S+ 0 0 200 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.462 84.1 116.3 -95.9 -6.8 17.5 -0.9 2.8 318 319 A D S <> S- 0 0 28 -3,-1.7 4,-3.0 1,-0.1 5,-0.2 -0.445 70.7-129.8 -59.3 135.0 18.1 2.9 3.4 319 320 A P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 -71,-0.2 0.839 105.4 48.1 -58.8 -39.7 21.9 3.3 3.9 320 321 A V H > S+ 0 0 6 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.905 114.9 45.3 -68.0 -44.1 21.6 5.4 7.1 321 322 A V H > S+ 0 0 8 -6,-0.2 4,-2.0 2,-0.2 5,-0.1 0.949 115.1 46.8 -67.9 -47.1 19.1 2.9 8.6 322 323 A A H X S+ 0 0 38 -4,-3.0 4,-0.6 -7,-0.3 -2,-0.2 0.896 112.9 51.8 -58.5 -42.3 21.2 -0.2 7.6 323 324 A G H >< S+ 0 0 13 -4,-2.2 3,-1.1 -5,-0.2 4,-0.4 0.951 112.9 42.2 -60.5 -52.2 24.3 1.6 8.9 324 325 A F H >X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 3,-0.8 0.773 102.9 68.1 -71.3 -21.6 22.9 2.4 12.3 325 326 A S H 3< S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.711 101.9 48.8 -65.2 -20.7 21.2 -1.1 12.6 326 327 A K T << S+ 0 0 148 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.582 116.1 43.3 -93.1 -12.0 24.7 -2.5 12.9 327 328 A V T X> S+ 0 0 0 -3,-0.8 3,-1.9 -4,-0.4 4,-0.6 0.823 100.3 65.6 -98.9 -43.1 25.7 0.1 15.5 328 329 A F G >< S+ 0 0 38 -4,-3.2 3,-1.5 1,-0.3 -3,-0.1 0.844 94.6 58.7 -54.8 -40.6 22.6 0.1 17.9 329 330 A P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.698 100.6 58.5 -64.3 -16.4 23.1 -3.5 19.1 330 331 A L G <4 S+ 0 0 70 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.1 0.678 102.0 73.7 -77.7 -17.7 26.5 -2.6 20.4 331 332 A G << - 0 0 18 -3,-1.5 -67,-0.2 -4,-0.6 -218,-0.0 -0.085 67.8-134.3 -96.7-178.1 25.2 0.2 22.6 332 333 A A E -m 264 0G 5 -69,-1.6 -67,-2.0 -70,-0.1 2,-0.1 -0.996 31.4-108.7-133.6 138.3 23.2 0.7 25.9 333 334 A P E -m 265 0G 55 0, 0.0 -67,-0.2 0, 0.0 3,-0.1 -0.388 38.8-107.0 -62.1 140.0 20.3 3.2 26.4 334 335 A M - 0 0 9 -69,-2.2 2,-0.2 1,-0.1 -67,-0.1 -0.304 41.1-102.0 -51.2 146.7 21.1 6.2 28.5 335 336 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -238,-0.0 -0.539 24.9-158.1 -69.2 146.1 19.5 6.0 31.9 336 337 A N + 0 0 24 -2,-0.2 -269,-2.1 -237,-0.1 -268,-0.2 0.329 50.5 122.6-105.5 6.8 16.3 8.2 32.2 337 338 A I S > S- 0 0 29 -270,-0.2 3,-1.6 -271,-0.1 4,-0.4 -0.254 75.5-111.4 -71.1 154.5 16.4 8.5 36.0 338 339 A P T > S+ 0 0 9 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.827 113.0 64.0 -55.1 -34.5 16.6 11.9 37.7 339 340 A E T >> S+ 0 0 50 1,-0.3 3,-1.5 2,-0.2 4,-0.8 0.710 81.2 78.6 -65.6 -24.5 20.1 11.4 38.9 340 341 A M H X> S+ 0 0 0 -3,-1.6 4,-1.2 1,-0.3 3,-1.0 0.877 85.6 63.3 -51.3 -38.5 21.5 11.2 35.4 341 342 A G H <4 S+ 0 0 29 -3,-1.2 4,-0.4 -4,-0.4 -1,-0.3 0.793 100.9 52.1 -57.0 -30.6 21.3 15.1 35.3 342 343 A K H <4 S+ 0 0 81 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.727 104.4 57.3 -74.8 -25.6 23.8 15.2 38.1 343 344 A V H S+ 0 0 37 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.984 116.2 34.7 -61.3 -63.1 28.7 17.9 34.6 346 347 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.821 117.8 56.3 -61.0 -32.2 31.4 16.3 36.7 347 348 A W H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.934 113.0 39.5 -63.5 -48.0 31.8 13.5 34.1 348 349 A G H X S+ 0 0 8 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.780 112.5 56.8 -71.4 -31.7 32.6 16.1 31.4 349 350 A N H X S+ 0 0 94 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.906 105.2 52.7 -63.9 -41.2 34.6 18.2 33.8 350 351 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 110.2 47.3 -59.0 -44.9 36.8 15.1 34.4 351 352 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.924 111.1 49.8 -65.8 -47.2 37.4 14.6 30.7 352 353 A S H X S+ 0 0 56 -4,-2.2 4,-0.8 -199,-0.3 -1,-0.2 0.885 112.5 48.5 -59.3 -40.5 38.2 18.3 30.1 353 354 A L H X S+ 0 0 82 -4,-2.2 4,-0.8 2,-0.2 3,-0.4 0.892 110.4 51.9 -63.7 -43.0 40.7 18.2 33.0 354 355 A A H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 6,-0.4 0.940 115.3 40.0 -58.9 -46.9 42.3 15.0 31.7 355 356 A I H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.498 96.7 79.6 -86.4 -5.3 42.9 16.4 28.2 356 357 A Q H < S+ 0 0 133 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.904 106.7 11.9 -69.9 -41.1 44.0 19.9 29.3 357 358 A R >< - 0 0 117 -4,-0.8 3,-1.3 -3,-0.4 -1,-0.2 -0.989 64.6-129.5-139.0 146.7 47.5 18.8 30.2 358 359 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.795 108.7 57.4 -54.0 -33.1 49.8 15.7 29.6 359 360 A D T 3 S+ 0 0 120 2,-0.1 2,-0.2 -3,-0.0 -5,-0.0 0.210 75.2 138.7 -89.9 14.1 50.6 15.6 33.4 360 361 A S < - 0 0 10 -3,-1.3 2,-1.5 -6,-0.4 3,-0.1 -0.411 59.4-123.8 -69.2 129.5 47.0 15.3 34.6 361 362 A N > - 0 0 71 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 -0.596 28.9-176.5 -74.2 93.0 46.5 12.8 37.4 362 363 A V H > S+ 0 0 13 -2,-1.5 4,-2.4 1,-0.2 5,-0.2 0.872 80.3 57.4 -58.2 -40.6 43.9 10.6 35.8 363 364 A K H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.907 113.3 37.3 -56.0 -47.8 43.7 8.6 39.1 364 365 A K H > S+ 0 0 123 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.871 112.4 57.6 -77.1 -39.8 42.7 11.6 41.2 365 366 A I H X S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 110.5 44.8 -52.6 -50.0 40.6 13.3 38.5 366 367 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.884 112.4 52.0 -63.9 -40.1 38.4 10.1 38.5 367 368 A E H X S+ 0 0 99 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.944 113.1 44.1 -59.5 -48.8 38.4 10.0 42.3 368 369 A D H X S+ 0 0 88 -4,-3.2 4,-3.3 2,-0.2 -2,-0.2 0.871 111.2 54.1 -64.5 -41.8 37.2 13.6 42.5 369 370 A M H X S+ 0 0 5 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.958 111.4 45.2 -54.3 -54.6 34.6 13.1 39.7 370 371 A V H X S+ 0 0 28 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.860 114.2 49.8 -56.2 -41.4 33.2 10.1 41.6 371 372 A A H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 111.1 48.4 -64.3 -50.6 33.2 12.2 44.9 372 373 A E H X S+ 0 0 95 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.852 113.0 47.9 -54.7 -44.4 31.5 15.2 43.2 373 374 A I H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.895 110.0 51.6 -66.1 -43.8 28.8 12.9 41.7 374 375 A K H X S+ 0 0 137 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 112.3 47.4 -58.3 -45.6 28.2 11.2 45.0 375 376 A K H < S+ 0 0 173 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 110.7 50.9 -61.6 -40.8 27.8 14.6 46.7 376 377 A A H < S+ 0 0 47 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.819 114.6 44.0 -71.3 -32.5 25.4 15.9 44.0 377 378 A I H < 0 0 38 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.1 0.976 360.0 360.0 -72.3 -58.9 23.1 12.8 44.3 378 379 A G < 0 0 103 -4,-2.4 -4,-0.0 -5,-0.2 -196,-0.0 0.142 360.0 360.0 -41.2 360.0 22.9 12.4 48.1