==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-FEB-11 3QQB . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.XU,I.A.WILSON . 496 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 19.4 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 43 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 3 3 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 0 PARALLEL BRIDGES PER LADDER . 5 5 5 2 0 4 0 0 1 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 4 1 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 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 9 A P 0 0 173 0, 0.0 464,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.2 27.2 -3.3 -47.3 2 10 A G - 0 0 35 1,-0.1 464,-0.1 463,-0.1 466,-0.1 0.252 360.0 -78.5 -62.9 178.2 24.6 -5.9 -46.0 3 11 A D - 0 0 15 462,-0.2 462,-3.0 464,-0.2 2,-0.4 -0.382 51.6-145.8 -72.1 159.4 22.1 -5.9 -43.2 4 12 A Q E -AB 352 464A 56 348,-2.4 348,-2.5 460,-0.2 2,-0.4 -0.977 21.5-166.9-133.3 144.5 23.4 -6.5 -39.6 5 13 A I E -AB 351 463A 0 458,-1.9 458,-3.1 -2,-0.4 2,-0.4 -0.998 18.6-165.9-121.8 137.4 22.5 -8.1 -36.3 6 14 A a E -AB 350 462A 10 344,-2.9 344,-2.0 -2,-0.4 2,-0.4 -0.939 13.1-143.9-122.4 141.7 24.6 -7.3 -33.2 7 15 A I E +A 349 0A 2 454,-2.4 2,-0.3 -2,-0.4 342,-0.2 -0.876 38.2 145.6-100.0 136.2 24.8 -9.0 -29.8 8 16 A G E -A 348 0A 0 340,-2.6 340,-2.3 -2,-0.4 2,-0.3 -0.894 34.8-113.7-156.7-171.1 25.3 -6.7 -26.9 9 17 A Y E -A 347 0A 0 328,-0.4 330,-3.4 -2,-0.3 338,-0.2 -0.941 33.0 -88.5-141.7 152.3 24.7 -5.9 -23.2 10 18 A H B +e 339 0B 16 336,-2.5 311,-0.3 -2,-0.3 2,-0.3 -0.167 36.8 175.8 -56.3 142.4 23.0 -3.4 -20.9 11 19 A A + 0 0 1 328,-1.3 2,-0.2 331,-0.3 331,-0.2 -0.956 5.9 165.3-143.6 149.0 24.7 -0.2 -19.7 12 20 A N - 0 0 31 -2,-0.3 326,-0.1 2,-0.1 328,-0.1 -0.682 52.9 -82.0-142.9-163.4 23.1 2.5 -17.6 13 21 A N S S+ 0 0 146 -2,-0.2 16,-0.0 16,-0.1 307,-0.0 0.244 73.7 139.9 -93.4 11.4 24.1 5.5 -15.5 14 22 A S - 0 0 17 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.253 30.8-178.6 -59.1 137.0 24.9 3.4 -12.3 15 23 A T + 0 0 108 14,-0.1 -1,-0.1 12,-0.1 2,-0.1 0.158 34.9 139.5-117.3 13.2 27.9 4.4 -10.3 16 24 A E - 0 0 102 12,-0.4 12,-2.2 13,-0.1 2,-0.3 -0.386 40.3-151.3 -55.8 128.4 27.4 1.5 -7.8 17 25 A K E +F 27 0C 84 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.826 18.0 177.3-109.3 145.5 30.8 0.0 -7.0 18 26 A V E -F 26 0C 4 8,-2.1 8,-3.3 -2,-0.3 2,-0.3 -0.951 21.6-129.4-135.8 162.2 31.7 -3.5 -5.9 19 27 A D - 0 0 37 294,-0.4 2,-0.2 -2,-0.3 5,-0.2 -0.836 23.1-179.8-107.7 153.3 35.0 -5.4 -5.1 20 28 A T - 0 0 4 3,-2.2 407,-0.2 -2,-0.3 406,-0.1 -0.739 44.2 -95.5-133.3-177.4 36.0 -8.7 -6.6 21 29 A I S S+ 0 0 90 405,-0.6 3,-0.1 -2,-0.2 406,-0.1 0.899 121.9 35.1 -68.7 -43.2 39.1 -10.9 -6.1 22 30 A L S S+ 0 0 139 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.675 126.0 25.5 -86.8 -20.3 41.0 -9.5 -9.1 23 31 A E - 0 0 86 3,-0.0 -3,-2.2 0, 0.0 3,-0.3 -0.994 62.6-147.2-153.9 135.0 39.9 -5.9 -9.0 24 32 A R S S+ 0 0 206 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.678 76.6 24.6 -99.5 155.7 38.6 -3.3 -6.6 25 33 A N S S+ 0 0 98 -2,-0.2 2,-0.5 1,-0.2 -6,-0.2 0.919 74.2 175.4 66.4 48.0 36.1 -0.5 -7.1 26 34 A V E -F 18 0C 4 -8,-3.3 -8,-2.1 -3,-0.3 2,-0.4 -0.756 26.8-134.2 -91.8 130.6 34.2 -2.0 -10.1 27 35 A T E -F 17 0C 37 -2,-0.5 293,-2.4 -10,-0.2 2,-0.3 -0.709 29.2-176.3 -81.9 130.1 31.2 -0.1 -11.5 28 36 A V B -G 319 0D 0 -12,-2.2 -12,-0.4 -2,-0.4 291,-0.2 -0.879 35.6-123.3-126.8 159.2 28.3 -2.4 -12.1 29 37 A T S S+ 0 0 3 289,-3.0 2,-0.3 -2,-0.3 -15,-0.1 0.808 97.4 12.1 -72.6 -33.4 24.8 -1.9 -13.6 30 38 A H + 0 0 78 288,-0.3 287,-2.4 -16,-0.1 286,-1.9 -0.990 68.8 174.2-145.3 147.6 23.0 -3.2 -10.5 31 39 A A E -H 315 0E 28 -2,-0.3 2,-0.5 284,-0.2 284,-0.2 -0.965 22.2-139.3-149.6 156.7 24.2 -4.1 -7.0 32 40 A K E -H 314 0E 94 282,-3.0 282,-2.9 -2,-0.3 2,-0.5 -0.963 11.3-150.0-128.8 110.7 22.6 -5.1 -3.7 33 41 A D E -H 313 0E 64 -2,-0.5 280,-0.2 280,-0.3 -2,-0.0 -0.707 15.4-178.8 -72.6 120.8 23.9 -3.6 -0.4 34 42 A I + 0 0 1 278,-2.7 258,-1.5 -2,-0.5 2,-0.5 0.286 50.9 90.0-108.3 13.2 23.5 -6.3 2.2 35 43 A L E -i 292 0F 0 277,-0.6 2,-0.4 256,-0.1 258,-0.2 -0.924 62.2-149.0-117.8 115.6 24.8 -4.4 5.3 36 44 A E E +i 293 0F 26 256,-3.1 258,-1.9 -2,-0.5 259,-0.2 -0.689 22.6 168.4 -79.2 128.7 22.6 -2.2 7.5 37 45 A K + 0 0 83 -2,-0.4 2,-0.3 256,-0.2 -1,-0.1 0.397 48.2 79.4-120.5 -2.0 24.7 0.7 8.9 38 46 A T + 0 0 93 249,-0.1 2,-0.3 2,-0.0 249,-0.3 -0.764 43.3 171.5-117.2 157.0 22.0 2.9 10.5 39 47 A H - 0 0 73 -2,-0.3 247,-0.2 247,-0.1 -2,-0.0 -0.916 42.0-110.8-150.0 167.5 19.9 3.0 13.7 40 48 A N - 0 0 73 245,-2.2 244,-0.1 -2,-0.3 246,-0.1 0.400 41.9-124.3 -90.4 3.0 17.5 5.6 15.2 41 49 A G S S+ 0 0 45 244,-0.2 2,-0.3 1,-0.2 243,-0.2 0.539 73.5 110.7 70.9 7.5 19.7 6.6 18.1 42 50 A K - 0 0 80 243,-0.1 243,-0.6 228,-0.1 2,-0.5 -0.848 69.0-127.6-117.9 150.7 16.9 5.8 20.6 43 51 A L E +k 272 0G 9 228,-0.6 230,-2.7 -2,-0.3 2,-0.2 -0.837 45.9 178.8 -87.6 132.6 16.1 3.2 23.3 44 52 A b E - 0 0 0 -2,-0.5 232,-0.2 228,-0.2 2,-0.1 -0.770 35.7 -84.2-133.3 165.0 12.6 1.8 22.5 45 53 A K E -k 276 0G 50 230,-2.7 232,-1.5 228,-0.3 2,-0.6 -0.471 43.9-132.0 -63.5 146.2 9.9 -0.6 23.5 46 53AA L E > S-kL 277 49G 11 3,-2.6 3,-2.0 1,-0.2 232,-0.2 -0.947 81.5 -21.8-109.6 112.2 10.7 -4.0 22.1 47 54 A N T 3 S- 0 0 87 230,-2.4 -1,-0.2 -2,-0.6 231,-0.1 0.874 128.8 -50.7 52.5 43.7 7.5 -5.4 20.4 48 55 A G T 3 S+ 0 0 43 229,-0.2 -1,-0.3 1,-0.2 -3,-0.1 0.309 117.4 112.9 82.1 -6.9 5.3 -3.1 22.4 49 56 A I B < -L 46 0G 57 -3,-2.0 -3,-2.6 -5,-0.0 -1,-0.2 -0.890 61.5-136.5-106.7 120.7 6.9 -4.1 25.7 50 57 A P - 0 0 56 0, 0.0 29,-1.0 0, 0.0 30,-0.2 -0.362 19.7-114.9 -72.8 150.8 9.0 -1.4 27.5 51 58 A P - 0 0 11 0, 0.0 2,-0.7 0, 0.0 30,-0.2 -0.278 32.5-101.5 -70.9 169.3 12.3 -2.2 29.1 52 59 A L E -m 81 0H 13 28,-2.9 30,-2.9 23,-0.1 2,-0.9 -0.878 37.1-152.3 -89.1 113.5 12.8 -1.9 32.8 53 60 A E E -m 82 0H 58 -2,-0.7 30,-0.1 28,-0.2 28,-0.1 -0.804 13.6-173.3 -92.3 105.7 14.6 1.4 33.2 54 61 A L > - 0 0 0 28,-2.0 3,-2.2 -2,-0.9 2,-0.3 0.713 14.4-172.4 -71.8 -16.8 16.8 1.2 36.4 55 62 A G T 3 S- 0 0 16 27,-0.3 29,-0.5 1,-0.3 -1,-0.2 -0.454 72.9 -11.9 60.5-118.8 17.7 5.0 36.2 56 63 A D T 3 S+ 0 0 49 -2,-0.3 33,-2.6 12,-0.1 -1,-0.3 0.411 117.5 100.7 -90.4 2.3 20.4 5.5 38.9 57 64 A c B < -o 89 0I 0 -3,-2.2 27,-0.4 31,-0.2 33,-0.2 -0.581 61.7-141.5 -91.2 147.1 19.8 2.1 40.6 58 65 A S > - 0 0 12 31,-2.2 4,-2.5 -2,-0.2 5,-0.2 -0.562 35.5-101.6 -91.6 168.2 21.8 -1.1 40.2 59 66 A I H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.927 128.0 49.5 -51.2 -46.7 20.3 -4.5 40.1 60 67 A A H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.917 107.8 52.7 -60.7 -46.3 21.3 -4.9 43.7 61 68 A G H >>S+ 0 0 0 28,-0.3 5,-2.7 1,-0.2 4,-1.4 0.911 113.1 46.3 -54.9 -46.2 19.7 -1.5 44.7 62 69 A W H <5S+ 0 0 9 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.962 116.0 41.4 -57.2 -56.9 16.5 -2.6 43.0 63 70 A L H <5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.882 118.6 44.4 -74.5 -33.2 16.2 -6.1 44.5 64 71 A L H <5S- 0 0 0 -4,-2.7 83,-2.2 -5,-0.2 84,-0.4 0.801 112.8-119.4 -74.7 -27.7 17.3 -5.1 48.1 65 72 A G T <5 - 0 0 3 -4,-1.4 81,-3.5 -5,-0.4 -3,-0.2 0.899 29.2-161.9 84.9 47.4 15.0 -2.1 48.0 66 73 A N > < - 0 0 3 -5,-2.7 3,-3.0 79,-0.3 -1,-0.1 -0.445 27.1-124.3 -52.4 126.4 17.6 0.8 48.4 67 74 A P G > S+ 0 0 13 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.706 110.5 63.9 -60.0 -17.0 15.2 3.6 49.4 68 75 A E G 3 S+ 0 0 117 1,-0.2 3,-0.2 22,-0.1 -12,-0.1 0.545 99.4 57.3 -76.0 -5.9 16.4 5.7 46.5 69 76 A c G X + 0 0 3 -3,-3.0 3,-2.7 -8,-0.2 -1,-0.2 0.102 66.1 126.0-108.7 21.0 15.0 3.0 44.2 70 77 A D G X + 0 0 56 -3,-1.0 3,-1.9 1,-0.3 4,-0.2 0.732 61.7 69.4 -59.8 -28.2 11.4 3.2 45.5 71 78 A R G 3 S+ 0 0 137 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.706 98.5 55.2 -55.6 -19.5 9.9 3.7 42.1 72 79 A L G < S+ 0 0 12 -3,-2.7 -1,-0.3 1,-0.2 3,-0.2 0.240 71.1 106.7-100.4 8.8 10.9 0.1 41.5 73 80 A L S < S+ 0 0 61 -3,-1.9 2,-0.4 1,-0.3 -1,-0.2 0.821 95.8 19.3 -61.1 -30.8 9.1 -1.4 44.5 74 81 A S S S+ 0 0 110 -3,-0.4 -1,-0.3 -4,-0.2 40,-0.1 -0.932 80.6 177.3-137.2 117.4 6.5 -2.9 42.0 75 81AA V - 0 0 22 -2,-0.4 38,-0.3 -3,-0.2 3,-0.1 -0.939 21.0-130.5-122.7 147.8 7.4 -3.3 38.4 76 82 A P - 0 0 101 0, 0.0 37,-0.1 0, 0.0 38,-0.0 -0.288 50.8 -60.7 -84.4 174.0 5.5 -4.7 35.4 77 83 A E - 0 0 65 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.134 59.3-157.9 -50.1 141.3 6.8 -7.2 32.8 78 84 A W - 0 0 2 33,-2.6 3,-0.1 -3,-0.1 -1,-0.1 -0.864 26.3-150.2-123.8 164.9 9.9 -6.0 30.8 79 85 A S S S- 0 0 9 -29,-1.0 2,-0.3 1,-0.4 -1,-0.1 0.678 84.9 -11.0-104.2 -28.7 11.6 -6.8 27.5 80 86 A Y - 0 0 0 -30,-0.2 -28,-2.9 183,-0.1 2,-0.5 -0.946 69.8-115.1-155.1 171.0 15.1 -5.9 28.5 81 87 A I E -mn 52 265H 0 183,-2.9 185,-3.6 -2,-0.3 2,-0.6 -0.946 18.1-150.8-114.2 132.2 16.8 -4.1 31.5 82 88 A M E +mn 53 266H 5 -30,-2.9 -28,-2.0 -2,-0.5 2,-0.4 -0.900 22.3 172.9-100.7 120.1 18.6 -0.8 31.2 83 89 A E E - n 0 267H 2 183,-2.5 185,-2.0 -2,-0.6 -25,-0.1 -0.983 28.6-122.2-125.4 141.4 21.4 -0.3 33.7 84 90 A K - 0 0 50 -29,-0.5 185,-0.1 -27,-0.4 -28,-0.0 -0.317 27.5-113.2 -72.0 161.4 24.0 2.5 33.9 85 91 A E S S+ 0 0 111 1,-0.3 -1,-0.1 182,-0.0 184,-0.0 0.908 110.9 12.1 -61.0 -41.8 27.7 1.7 33.7 86 92 A N S S- 0 0 139 -28,-0.0 -1,-0.3 0, 0.0 -28,-0.1 -0.648 83.1-161.4-137.8 73.2 28.2 2.8 37.4 87 93 A P - 0 0 30 0, 0.0 -30,-0.1 0, 0.0 -31,-0.1 -0.359 12.1-145.1 -64.8 139.7 24.8 3.3 39.0 88 94 A R S S+ 0 0 177 1,-0.2 2,-0.9 -32,-0.2 -31,-0.2 0.779 83.7 65.1 -69.5 -32.2 24.9 5.5 42.2 89 95 A D B +o 57 0I 27 -33,-2.6 -31,-2.2 1,-0.1 -28,-0.3 -0.770 67.0 103.6-108.8 93.2 22.3 3.6 44.1 90 95AA G S S+ 0 0 13 -2,-0.9 2,-1.3 -33,-0.2 3,-0.2 0.226 84.5 9.2-127.6-109.8 23.3 0.1 45.0 91 96 A L + 0 0 39 1,-0.2 4,-0.2 4,-0.1 -1,-0.1 -0.665 62.7 177.9 -81.3 93.6 24.4 -1.0 48.4 92 97 A C S S+ 0 0 13 -2,-1.3 -1,-0.2 2,-0.1 45,-0.1 0.937 81.6 51.5 -67.5 -46.1 23.6 2.1 50.4 93 98 A Y S S- 0 0 1 -3,-0.2 134,-0.2 43,-0.1 128,-0.1 -0.852 114.7-115.4 -75.9 123.6 24.7 0.3 53.5 94 99 A P + 0 0 5 0, 0.0 133,-2.0 0, 0.0 2,-0.3 -0.149 63.8 90.2 -69.1 157.4 28.1 -0.8 52.1 95 100 A G E -p 227 0J 35 131,-0.3 2,-0.3 -4,-0.2 133,-0.2 -0.933 63.4 -65.0 167.0-135.3 29.2 -4.4 51.6 96 101 A S E -p 228 0J 52 131,-1.8 133,-3.0 -2,-0.3 2,-0.4 -0.937 20.0-140.8-147.8 165.1 29.2 -7.1 49.0 97 102 A F E > -p 229 0J 22 -2,-0.3 3,-0.9 131,-0.2 133,-0.2 -0.935 26.9-135.0-137.1 104.9 26.8 -9.3 47.0 98 103 A N T 3 S+ 0 0 41 131,-3.3 133,-0.1 -2,-0.4 -2,-0.0 -0.331 85.0 2.5 -63.6 140.7 28.0 -12.9 46.6 99 104 A D T 3> S+ 0 0 96 1,-0.1 4,-1.6 3,-0.1 -1,-0.2 0.879 82.7 156.1 51.5 42.1 27.6 -14.5 43.1 100 105 A Y H <> + 0 0 35 -3,-0.9 4,-2.3 1,-0.2 5,-0.2 0.926 67.9 49.8 -69.9 -41.1 26.3 -11.1 41.9 101 106 A E H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 293,-0.3 0.860 107.6 54.6 -64.1 -35.7 27.2 -11.7 38.2 102 107 A E H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 108.1 50.7 -62.6 -38.3 25.5 -15.1 38.3 103 108 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.937 109.3 49.8 -64.8 -45.1 22.3 -13.3 39.5 104 109 A K H X S+ 0 0 13 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.876 108.3 53.7 -58.3 -39.6 22.6 -10.8 36.7 105 110 A H H >< S+ 0 0 86 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.876 103.7 56.1 -63.7 -40.0 23.0 -13.7 34.2 106 111 A L H >< S+ 0 0 26 -4,-1.9 3,-2.3 1,-0.2 4,-0.2 0.929 98.3 63.1 -53.8 -43.4 19.7 -15.2 35.7 107 112 A L H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.3 157,-0.3 0.787 86.7 73.4 -57.1 -25.0 18.0 -11.9 34.8 108 113 A S T << S+ 0 0 24 -3,-0.9 155,-2.3 -4,-0.7 -1,-0.3 0.605 105.1 37.0 -63.2 -17.1 18.7 -12.6 31.0 109 114 A S T < S+ 0 0 53 -3,-2.3 152,-2.4 -4,-0.3 2,-0.4 0.258 103.6 85.2-116.7 10.5 16.1 -15.3 31.0 110 115 A V E < +Q 260 0J 0 -3,-1.6 150,-0.3 150,-0.3 154,-0.2 -0.946 41.4 173.1-113.4 136.4 13.6 -13.6 33.4 111 116 A K E + 0 0 49 148,-3.4 -33,-2.6 -2,-0.4 2,-0.3 0.447 67.3 14.5-119.8 -6.2 11.0 -11.1 32.2 112 116AA H E -Q 259 0J 44 147,-1.3 146,-2.0 -35,-0.2 147,-1.5 -0.937 55.3-158.9-165.5 145.9 8.9 -10.5 35.3 113 116BA F E -Q 257 0J 12 -38,-0.3 2,-0.5 -2,-0.3 144,-0.2 -0.911 11.0-148.9-115.3 154.0 8.8 -11.1 39.0 114 116CA E E -Q 256 0J 92 142,-2.4 142,-2.8 -2,-0.3 2,-0.5 -0.989 23.0-139.7-114.1 122.2 6.0 -11.2 41.5 115 117 A K E -Q 255 0J 60 -2,-0.5 2,-0.4 140,-0.2 140,-0.2 -0.682 21.5-165.7 -85.2 126.7 7.3 -9.9 44.8 116 118 A V E -Q 254 0J 44 138,-3.3 138,-2.4 -2,-0.5 2,-1.8 -0.923 24.3-129.1-117.9 131.9 5.8 -12.1 47.6 117 119 A K + 0 0 110 -2,-0.4 136,-0.3 136,-0.2 138,-0.0 -0.562 41.4 163.6 -80.7 85.4 5.9 -11.2 51.3 118 120 A I + 0 0 11 -2,-1.8 135,-0.2 1,-0.2 -1,-0.2 0.752 68.5 27.4 -77.4 -29.6 7.3 -14.5 52.4 119 121 A L S S- 0 0 15 133,-2.3 -1,-0.2 -3,-0.2 5,-0.1 -0.575 83.5-148.1-135.3 71.8 8.5 -13.5 56.0 120 122 A P > - 0 0 44 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.112 13.3-132.8 -52.1 132.3 6.3 -10.6 57.2 121 123 A K G > S+ 0 0 79 1,-0.3 3,-1.9 2,-0.2 28,-0.0 0.800 100.4 68.3 -51.0 -40.6 8.3 -8.4 59.5 122 125 A D G 3 S+ 0 0 125 1,-0.3 -1,-0.3 3,-0.0 7,-0.0 0.652 87.4 69.0 -60.7 -16.4 5.5 -8.3 62.2 123 126 A R G < S+ 0 0 202 -3,-1.6 2,-1.8 1,-0.1 -1,-0.3 0.578 72.4 89.0 -83.5 -10.9 6.1 -12.0 62.9 124 127 A W X + 0 0 25 -3,-1.9 3,-0.7 1,-0.2 -1,-0.1 -0.625 50.9 157.9 -82.0 78.5 9.6 -11.3 64.6 125 128 A T T 3 + 0 0 102 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.775 65.9 52.0 -79.7 -25.5 8.0 -10.8 68.0 126 129 A Q T 3 S+ 0 0 122 -3,-0.2 2,-0.3 34,-0.1 28,-0.3 0.352 109.2 55.2 -91.8 7.5 11.1 -11.6 70.0 127 130 A H S < S- 0 0 11 -3,-0.7 2,-0.3 31,-0.1 26,-0.2 -0.961 82.9-109.0-139.4 154.2 13.4 -9.0 68.1 128 131 A T B +V 152 0K 40 24,-2.1 24,-2.3 -2,-0.3 26,-0.1 -0.632 30.5 177.0 -78.8 139.8 13.5 -5.4 67.1 129 132 A T + 0 0 31 -2,-0.3 21,-0.5 22,-0.2 -1,-0.1 0.340 59.2 85.1-125.9 4.0 12.9 -4.8 63.4 130 133 A T + 0 0 128 19,-0.1 21,-0.1 2,-0.0 -1,-0.1 0.444 59.6 135.0 -91.7 2.4 12.9 -1.0 63.0 131 134 A G + 0 0 21 19,-0.7 19,-0.4 60,-0.1 2,-0.2 -0.196 22.3 151.4 -58.8 134.3 16.8 -0.8 62.7 132 135 A G - 0 0 26 12,-0.1 2,-0.3 0, 0.0 12,-0.2 -0.762 30.6-124.9-145.1-167.1 18.3 1.4 60.0 133 136 A S E > -W 143 0L 9 10,-2.6 10,-1.9 -2,-0.2 3,-1.6 -0.989 23.7-122.0-150.0 147.0 21.3 3.5 59.2 134 137 A R E > S+ 0 0 139 -2,-0.3 3,-1.4 1,-0.3 6,-0.1 0.692 111.0 71.6 -58.4 -24.7 22.2 7.0 58.3 135 138 A A E 3 S+ 0 0 17 1,-0.3 -1,-0.3 8,-0.1 9,-0.1 0.729 107.1 34.2 -65.8 -24.6 23.8 5.3 55.3 136 139 A C E < S+ 0 0 4 -3,-1.6 -1,-0.3 7,-0.4 -2,-0.2 -0.246 92.8 165.2-116.1 36.9 20.3 4.6 54.0 137 140 A A E < - 0 0 29 -3,-1.4 2,-0.4 5,-0.2 -3,-0.1 -0.267 20.7-165.1 -62.9 147.1 18.7 7.8 55.4 138 141 A V E > S-W 141 0L 49 3,-2.8 3,-2.0 1,-0.1 -2,-0.1 -0.999 74.3 -11.4-132.3 124.2 15.3 9.0 54.1 139 142 A S T 3 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.916 131.0 -53.3 49.4 47.6 14.2 12.5 54.9 140 143 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -6,-0.1 -3,-0.1 0.485 118.1 105.8 73.3 2.7 17.1 13.0 57.3 141 144 A N E < S-W 138 0L 112 -3,-2.0 -3,-2.8 -5,-0.1 -1,-0.2 -0.923 79.3 -97.9-117.5 145.4 16.3 9.9 59.3 142 145 A P E + 0 0 68 0, 0.0 -8,-0.2 0, 0.0 2,-0.2 -0.213 55.3 156.7 -50.3 135.4 18.0 6.5 59.5 143 146 A S E -W 133 0L 31 -10,-1.9 -10,-2.6 -12,-0.0 -7,-0.4 -0.733 24.1-135.4-143.4-158.3 16.3 4.0 57.3 144 147 A F - 0 0 15 -12,-0.2 -12,-0.1 -2,-0.2 -10,-0.0 -0.984 39.9 -59.1-161.0 160.4 17.0 0.6 55.5 145 148 A F > - 0 0 3 -2,-0.3 3,-0.9 1,-0.2 -79,-0.3 -0.208 49.6-134.9 -42.8 129.7 16.6 -1.5 52.4 146 149 A R T 3 S+ 0 0 78 -81,-3.5 -81,-0.2 1,-0.2 -1,-0.2 0.770 99.4 48.6 -69.8 -27.2 12.8 -1.8 51.9 147 150 A N T 3 S+ 0 0 5 -83,-2.2 105,-3.0 105,-0.1 106,-1.1 0.519 105.5 66.6 -90.4 -5.3 12.9 -5.5 51.2 148 151 A M E < -R 251 0J 8 -3,-0.9 2,-0.4 -84,-0.4 29,-0.1 -0.717 67.2-139.5-120.1 162.9 15.1 -6.6 54.1 149 152 A V E -R 250 0J 2 101,-2.8 101,-2.1 -2,-0.2 2,-1.0 -0.990 6.5-149.0-129.0 125.6 14.8 -6.6 57.8 150 153 A W E -R 249 0J 13 -21,-0.5 -19,-0.7 -2,-0.4 2,-0.4 -0.806 19.5-155.4 -95.1 100.8 17.6 -5.7 60.2 151 154 A L + 0 0 0 97,-1.3 96,-0.4 -2,-1.0 2,-0.3 -0.647 22.6 168.4 -79.3 127.3 17.0 -7.9 63.3 152 155 A T B -V 128 0K 15 -24,-2.3 -24,-2.1 -2,-0.4 40,-0.2 -0.836 39.5 -61.0-130.3 172.8 18.4 -6.3 66.5 153 156 A E - 0 0 46 38,-3.6 2,-0.4 -2,-0.3 5,-0.2 -0.110 42.6-159.7 -41.9 139.2 18.3 -6.8 70.3 154 157 A K B > S-X 157 0M 108 3,-3.3 3,-1.3 -28,-0.3 -1,-0.0 -0.984 75.2 -8.4-130.0 126.1 15.0 -6.4 72.1 155 158 A G T 3 S- 0 0 64 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.926 130.6 -57.8 56.7 46.1 14.9 -5.7 75.9 156 159 A S T 3 S+ 0 0 72 1,-0.2 2,-0.3 34,-0.1 -1,-0.3 0.629 120.8 102.8 53.6 22.5 18.7 -6.3 75.9 157 160 A N B < -X 154 0M 106 -3,-1.3 -3,-3.3 -31,-0.1 -1,-0.2 -0.972 49.5-169.6-130.2 148.4 18.2 -9.8 74.5 158 161 A Y - 0 0 6 -2,-0.3 3,-0.1 -5,-0.2 -31,-0.1 -0.778 19.7-167.3-130.4 88.0 18.6 -11.5 71.2 159 162 A P - 0 0 41 0, 0.0 85,-0.1 0, 0.0 -2,-0.0 -0.257 47.8 -67.3 -64.6 162.6 17.1 -15.0 71.4 160 163 A V - 0 0 58 1,-0.1 2,-0.5 85,-0.1 85,-0.2 -0.315 55.5-140.0 -53.7 127.3 17.8 -17.5 68.6 161 164 A A E +Y 244 0N 1 83,-3.3 83,-2.4 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63,-0.1 -1,-0.2 -0.956 97.0 -76.3-149.4 166.0 7.5 -21.0 40.5 172 175 A Q - 0 0 49 -2,-0.3 85,-2.5 85,-0.1 2,-0.4 -0.423 51.5-147.2 -61.0 144.3 11.1 -20.9 41.5 173 176 A M E -ST 234 256J 0 61,-2.2 61,-3.1 83,-0.2 2,-0.5 -0.971 8.1-137.3-126.9 128.4 11.7 -17.9 43.9 174 177 A L E -ST 233 255J 0 81,-2.9 81,-3.1 -2,-0.4 2,-0.4 -0.668 26.9-176.8 -81.3 125.3 14.7 -15.7 44.3 175 178 A I E -S 232 0J 1 57,-2.7 57,-1.8 -2,-0.5 2,-0.4 -0.987 6.6-165.3-125.9 134.2 15.5 -15.0 48.0 176 179 A I E +S 231 0J 7 77,-0.4 2,-0.3 -2,-0.4 55,-0.2 -0.902 11.8 168.1-118.1 142.4 18.3 -12.7 49.3 177 180 A W E -S 230 0J 7 53,-2.2 53,-2.6 -2,-0.4 2,-0.3 -0.930 12.5-156.1-141.0 172.1 19.7 -12.5 52.8 178 181 A G E -SU 229 249J 0 71,-2.3 71,-2.7 -2,-0.3 2,-0.4 -0.939 13.1-139.3-144.2 168.5 22.7 -10.8 54.4 179 182 A V E -SU 228 248J 3 49,-1.7 49,-2.5 -2,-0.3 2,-0.5 -0.998 23.0-133.7-129.2 134.0 25.1 -10.9 57.4 180 183 A H E -S 227 0J 0 67,-2.4 47,-0.2 -2,-0.4 -85,-0.1 -0.788 12.2-162.8 -90.4 120.9 26.3 -7.7 59.1 181 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