==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 07-MAY-12 4F23 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.LU,Y.SHI,F.GAO,H.XIAO,J.QI,G.F.GAO . 1527 3 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1001 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 299 19.6 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 21 1.4 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 . 3 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 . 130 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 3 6 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 3 9 9 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 PARALLEL BRIDGES PER LADDER . 9 9 24 3 4 5 6 0 3 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 . 10 12 3 0 3 0 1 2 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 1 A A 0 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.0 -21.7 -88.8 38.2 2 2 A D - 0 0 152 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.288 360.0 -89.7 -58.8 158.5 -19.1 -90.0 35.8 3 3 A G - 0 0 79 1,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.373 45.3-166.4 -69.8 148.1 -15.5 -89.8 36.9 4 4 A I - 0 0 115 -3,-0.1 2,-0.2 -2,-0.1 3,-0.1 -0.977 21.2-112.4-135.2 145.3 -13.7 -86.6 36.1 5 5 A Q - 0 0 46 -2,-0.3 464,-0.1 1,-0.1 466,-0.1 -0.506 40.9 -98.1 -74.0 147.9 -9.9 -85.8 36.2 6 6 A D - 0 0 8 462,-0.4 462,-3.1 464,-0.2 2,-0.4 -0.219 50.0-156.4 -56.7 153.5 -8.7 -83.3 38.7 7 7 A K E -AB 355 467A 66 348,-2.7 348,-2.3 460,-0.2 2,-0.4 -0.995 23.1-166.8-144.7 143.8 -8.2 -79.9 37.2 8 8 A I E -AB 354 466A 0 458,-1.8 458,-2.4 -2,-0.4 2,-0.4 -0.998 12.5-161.5-130.1 135.7 -6.4 -76.6 37.5 9 9 A a E -AB 353 465A 2 344,-3.4 344,-1.8 -2,-0.4 2,-0.5 -0.898 3.6-154.3-117.2 138.4 -7.3 -73.4 35.7 10 10 A I E +A 352 0A 4 454,-2.5 321,-0.7 -2,-0.4 2,-0.3 -0.965 48.2 66.6-116.0 123.6 -5.1 -70.4 35.2 11 11 A G E S-Ac 351 331A 0 340,-2.9 340,-2.6 -2,-0.5 2,-0.4 -0.900 75.5 -2.6 175.0-136.2 -6.5 -66.9 34.7 12 12 A Y E -Ac 350 332A 0 319,-2.2 321,-2.9 -2,-0.3 2,-0.4 -0.732 39.4-172.2 -95.7 137.4 -8.4 -64.0 36.3 13 13 A L E +Ac 349 333A 1 336,-2.9 336,-2.9 -2,-0.4 2,-0.3 -0.998 32.7 118.5-122.2 131.8 -9.9 -63.9 39.8 14 14 A S E - c 0 334A 0 319,-1.5 321,-2.5 -2,-0.4 334,-0.1 -0.972 57.4 -95.2-168.5 176.1 -12.0 -61.0 40.7 15 15 A N - 0 0 67 332,-0.4 321,-0.1 -2,-0.3 2,-0.1 -0.263 69.5 -54.4 -87.8-173.2 -15.5 -59.9 41.8 16 16 A N - 0 0 114 1,-0.1 2,-0.7 -2,-0.1 -1,-0.2 -0.405 62.0-109.9 -62.3 140.9 -18.2 -58.7 39.4 17 17 A S + 0 0 31 304,-0.2 2,-0.6 -3,-0.1 15,-0.1 -0.699 38.3 171.3 -82.5 110.0 -17.2 -55.8 37.1 18 18 A T + 0 0 133 -2,-0.7 2,-0.1 14,-0.2 -3,-0.0 -0.903 56.6 70.1-116.9 90.6 -18.9 -52.5 37.9 19 19 A D - 0 0 49 -2,-0.6 12,-3.0 14,-0.1 2,-0.4 -0.376 59.5-160.1 159.9 120.8 -17.0 -50.2 35.7 20 20 A T E -F 30 0B 74 10,-0.3 2,-0.3 -2,-0.1 294,-0.1 -0.934 7.6-176.4-118.6 146.7 -16.9 -49.8 32.0 21 21 A V E -F 29 0B 3 8,-2.4 8,-2.6 -2,-0.4 2,-0.3 -0.821 21.5-125.8-124.4 167.7 -14.3 -48.1 29.7 22 22 A D - 0 0 69 292,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.865 21.7-162.8-108.5 151.8 -14.0 -47.4 26.0 23 23 A T - 0 0 0 3,-4.0 407,-0.2 -2,-0.3 406,-0.2 -0.819 39.0 -99.0-122.8 172.8 -11.1 -48.5 23.9 24 24 A L S S+ 0 0 3 405,-2.0 1378,-0.3 -2,-0.3 1379,-0.2 0.831 125.9 28.2 -61.0 -25.2 -10.0 -47.4 20.4 25 25 A T S S+ 0 0 14 404,-0.3 2,-0.3 1,-0.2 1373,-0.2 0.514 123.2 42.8-116.2 -7.5 -11.8 -50.5 19.0 26 26 A E - 0 0 83 -3,-0.1 -3,-4.0 403,-0.1 2,-0.4 -0.997 60.5-144.9-146.5 147.7 -14.5 -51.2 21.5 27 27 A N S S+ 0 0 93 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.838 76.3 9.9-107.6 146.3 -17.2 -49.4 23.5 28 28 A G S S+ 0 0 37 -2,-0.4 -6,-0.2 1,-0.2 -1,-0.2 0.874 71.8 176.4 65.0 44.2 -18.5 -50.2 27.0 29 29 A V E -F 21 0B 3 -8,-2.6 -8,-2.4 -3,-0.3 2,-0.3 -0.724 27.9-129.9 -87.2 118.6 -15.9 -52.8 28.0 30 30 A P E +F 20 0B 50 0, 0.0 2,-0.3 0, 0.0 -10,-0.3 -0.577 33.9 174.7 -71.4 135.9 -16.5 -54.0 31.5 31 31 A V - 0 0 0 -12,-3.0 289,-0.2 -2,-0.3 -13,-0.1 -0.945 41.6-120.8-137.1 156.1 -13.3 -53.9 33.7 32 32 A T S S- 0 0 7 287,-1.9 2,-0.3 -2,-0.3 -14,-0.2 0.699 90.9 -6.9 -77.3 -18.2 -12.6 -54.5 37.3 33 33 A S + 0 0 15 286,-0.1 285,-2.3 -14,-0.1 284,-2.2 -0.956 56.8 172.4-165.6 161.8 -11.2 -51.0 37.8 34 34 A S E -G 316 0C 22 -2,-0.3 2,-0.4 282,-0.3 282,-0.2 -0.947 24.1-125.3-153.1 171.9 -10.2 -47.7 36.2 35 35 A I E -G 315 0C 52 280,-2.6 280,-2.8 -2,-0.3 2,-0.4 -0.941 23.5-117.5-121.8 152.0 -9.1 -44.2 37.1 36 36 A D E -G 314 0C 67 -2,-0.4 278,-0.2 278,-0.2 276,-0.0 -0.699 21.4-172.4 -83.6 128.3 -10.5 -40.8 36.1 37 37 A L + 0 0 7 276,-2.4 256,-0.9 -2,-0.4 2,-0.5 0.596 65.6 69.2 -93.1 -13.2 -8.1 -38.6 34.1 38 38 A V E S-h 293 0D 0 275,-0.2 2,-0.3 254,-0.1 256,-0.3 -0.923 74.9-136.7-116.2 123.9 -10.2 -35.4 34.1 39 39 A E E +h 294 0D 17 254,-3.4 256,-1.6 -2,-0.5 257,-0.3 -0.594 28.5 165.1 -78.6 129.9 -11.0 -33.3 37.1 40 40 A T + 0 0 63 -2,-0.3 2,-0.3 254,-0.2 -1,-0.1 0.409 49.4 88.9-119.8 -2.8 -14.6 -32.1 37.3 41 41 A N + 0 0 118 247,-0.1 2,-0.3 2,-0.0 247,-0.2 -0.725 45.5 153.5-102.5 144.0 -14.7 -30.9 41.0 42 42 A H - 0 0 73 -2,-0.3 245,-0.2 245,-0.1 243,-0.0 -0.951 51.9-100.5-158.7 171.3 -13.9 -27.4 42.2 43 43 A T - 0 0 65 243,-2.1 242,-0.1 -2,-0.3 3,-0.1 0.646 36.7-137.6 -76.5 -19.9 -14.7 -25.0 45.1 44 44 A G S S+ 0 0 37 1,-0.2 228,-0.5 242,-0.2 2,-0.3 0.638 77.1 82.9 68.2 12.4 -17.3 -22.9 43.3 45 45 A T S S- 0 0 28 226,-0.1 241,-0.6 241,-0.1 2,-0.5 -0.859 88.9 -98.7-137.6 171.7 -15.5 -19.9 44.9 46 46 A Y E -j 273 0E 3 226,-2.6 228,-2.0 -2,-0.3 2,-0.2 -0.849 50.8-180.0 -93.1 130.4 -12.5 -17.7 44.6 47 47 A b E - 0 0 1 -2,-0.5 230,-0.3 226,-0.2 228,-0.1 -0.733 36.5 -79.5-120.8 169.9 -9.6 -18.9 46.8 48 48 A S E -j 277 0E 32 228,-3.1 230,-2.3 -2,-0.2 2,-0.6 -0.339 48.0-130.9 -58.0 153.0 -6.1 -18.1 47.7 49 49 A L E > S-jK 278 52E 18 3,-2.6 3,-1.6 228,-0.2 230,-0.2 -0.958 73.5 -30.8-121.4 107.6 -3.8 -19.3 45.0 50 50 A N T 3 S- 0 0 90 228,-2.9 -1,-0.1 -2,-0.6 229,-0.1 0.848 128.7 -42.9 46.5 45.2 -0.8 -21.3 46.3 51 51 A G T 3 S+ 0 0 54 227,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.367 117.2 108.8 95.1 -6.0 -0.8 -19.3 49.5 52 52 A V B < -K 49 0E 35 -3,-1.6 -3,-2.6 -5,-0.0 -1,-0.2 -0.920 61.1-138.0-115.8 119.1 -1.3 -15.9 48.0 53 53 A S - 0 0 63 -2,-0.6 29,-1.3 -5,-0.2 30,-0.2 -0.406 14.4-136.3 -68.7 146.8 -4.6 -14.1 48.5 54 54 A P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.274 19.0-113.3 -85.8-177.1 -6.2 -12.2 45.6 55 55 A I E -l 84 0F 24 28,-2.1 30,-2.2 -2,-0.1 2,-0.7 -0.988 14.9-151.9-120.1 125.5 -7.8 -8.7 45.8 56 56 A H E -l 85 0F 69 -2,-0.5 30,-0.2 28,-0.2 3,-0.1 -0.821 6.0-156.6 -91.6 117.0 -11.5 -8.3 45.3 57 57 A L > - 0 0 10 28,-3.1 3,-2.0 -2,-0.7 2,-0.2 0.585 22.7-170.5 -75.0 -5.7 -12.0 -4.8 44.0 58 58 A G T 3 - 0 0 34 27,-0.3 29,-0.5 1,-0.3 -1,-0.2 -0.348 66.5 -4.5 57.6-119.7 -15.5 -4.8 45.2 59 59 A D T 3 S+ 0 0 81 -2,-0.2 33,-2.5 -3,-0.1 2,-0.4 0.235 120.4 86.7 -93.5 16.4 -17.4 -1.7 43.9 60 60 A c B < S-n 92 0G 2 -3,-2.0 27,-0.4 31,-0.2 33,-0.2 -0.879 71.5-128.7-116.7 150.1 -14.4 -0.2 42.2 61 61 A S > - 0 0 3 31,-2.3 4,-2.1 -2,-0.4 5,-0.2 -0.393 34.9-108.0 -79.9 167.3 -12.7 -0.7 38.8 62 62 A F H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.864 121.3 53.1 -59.3 -42.8 -9.0 -1.4 38.6 63 63 A E H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.945 108.9 47.4 -59.4 -45.0 -8.5 2.1 37.3 64 64 A G H >>S+ 0 0 0 28,-0.2 5,-3.0 1,-0.2 4,-0.9 0.915 116.1 45.0 -60.4 -49.6 -10.3 3.7 40.2 65 65 A W H <5S+ 0 0 12 -4,-2.1 3,-0.2 3,-0.2 -2,-0.2 0.901 113.6 49.0 -60.5 -47.9 -8.3 1.5 42.7 66 66 A I H <5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 114.8 42.0 -67.9 -34.5 -5.0 2.0 41.0 67 67 A V H <5S- 0 0 0 -4,-2.1 82,-1.5 -5,-0.2 83,-0.3 0.623 118.5-110.8 -83.5 -15.0 -5.2 5.8 40.8 68 68 A G T <5 - 0 0 1 -4,-0.9 80,-2.3 -5,-0.2 -3,-0.2 0.852 33.9-165.3 86.7 46.3 -6.7 6.0 44.4 69 69 A N > < - 0 0 1 -5,-3.0 3,-2.7 78,-0.2 -1,-0.2 -0.507 24.6-133.0 -53.6 120.8 -10.3 7.0 44.0 70 70 A P T 3 S+ 0 0 11 0, 0.0 71,-0.2 0, 0.0 -1,-0.2 0.633 105.5 65.1 -63.3 -16.5 -11.0 8.0 47.6 71 71 A S T 3 S+ 0 0 56 69,-0.1 2,-0.3 2,-0.1 -12,-0.1 0.571 95.9 78.1 -75.6 -5.2 -14.3 6.0 47.4 72 72 A c S < S- 0 0 4 -3,-2.7 2,-0.1 -8,-0.2 3,-0.1 -0.722 99.4 -89.3-107.0 153.2 -12.0 2.9 46.9 73 73 A A - 0 0 78 -2,-0.3 -5,-0.1 -16,-0.2 -1,-0.1 -0.359 48.9-110.2 -59.6 127.3 -10.1 1.0 49.6 74 74 A S - 0 0 48 1,-0.1 3,-0.3 -4,-0.1 -1,-0.1 -0.319 18.7-155.0 -54.4 143.1 -6.7 2.4 50.2 75 75 A N > + 0 0 4 -10,-0.2 3,-0.7 1,-0.2 43,-0.3 0.182 63.9 113.1-103.2 17.7 -3.8 0.1 48.9 76 76 A I T 3 S+ 0 0 78 1,-0.3 42,-0.3 41,-0.1 -1,-0.2 0.864 83.5 37.5 -58.6 -35.8 -1.4 1.7 51.3 77 77 A N T 3 S+ 0 0 126 -3,-0.3 -1,-0.3 40,-0.1 -2,-0.1 0.555 88.9 115.5 -95.2 -11.0 -1.1 -1.5 53.3 78 78 A I < + 0 0 47 -3,-0.7 40,-0.4 1,-0.1 3,-0.1 -0.324 31.4 171.7 -64.6 139.2 -1.2 -4.0 50.4 79 79 A R - 0 0 130 1,-0.4 37,-2.3 38,-0.1 2,-0.3 0.527 58.8 -12.0-120.9 -20.1 1.9 -6.1 49.9 80 80 A E - 0 0 84 35,-0.2 -1,-0.4 -26,-0.1 2,-0.3 -0.971 48.6-164.6-171.4 158.1 0.9 -8.7 47.3 81 81 A W B -O 113 0H 2 32,-2.1 32,-1.2 -2,-0.3 3,-0.1 -0.898 17.4-153.4-156.9 151.5 -1.8 -10.4 45.3 82 82 A S S S- 0 0 11 -29,-1.3 2,-0.3 1,-0.3 183,-0.1 0.793 81.0 -23.0 -86.3 -35.5 -2.3 -13.6 43.2 83 83 A Y - 0 0 0 181,-0.2 -28,-2.1 -30,-0.2 2,-0.3 -0.954 64.5-112.6-164.2 171.7 -5.1 -12.2 41.0 84 84 A L E -lm 55 266F 0 181,-3.3 183,-2.7 -2,-0.3 2,-0.5 -0.905 11.1-153.4-119.7 150.6 -7.9 -9.6 41.0 85 85 A I E +lm 56 267F 0 -30,-2.2 -28,-3.1 -2,-0.3 2,-0.4 -0.988 24.1 179.1-120.1 126.7 -11.6 -9.9 41.0 86 86 A E E - m 0 268F 20 181,-2.8 183,-2.0 -2,-0.5 -25,-0.1 -0.969 31.4-131.6-135.1 139.1 -13.5 -7.0 39.4 87 87 A D > - 0 0 47 -29,-0.5 3,-2.1 -27,-0.4 181,-0.1 -0.795 18.0-147.7 -84.2 117.2 -17.1 -6.0 38.8 88 88 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -27,-0.0 0.769 99.8 41.9 -59.9 -22.6 -17.3 -5.0 35.1 89 89 A N T 3 S+ 0 0 135 -29,-0.1 -28,-0.1 -3,-0.0 -2,-0.0 -0.094 80.1 158.3-113.6 34.7 -20.0 -2.4 36.1 90 90 A A < - 0 0 1 -3,-2.1 -29,-0.1 1,-0.2 -31,-0.1 -0.374 40.3-140.2 -56.0 134.1 -18.5 -1.2 39.3 91 91 A P S S+ 0 0 93 0, 0.0 2,-0.9 0, 0.0 -31,-0.2 0.837 86.5 68.8 -66.4 -34.2 -19.9 2.2 40.1 92 92 A H B +n 60 0G 57 -33,-2.5 -31,-2.3 1,-0.1 -28,-0.2 -0.768 60.2 130.8 -96.1 101.0 -16.6 3.7 41.3 93 93 A K S S- 0 0 92 -2,-0.9 2,-0.7 1,-0.3 -24,-0.1 0.267 78.0 -12.8-112.9-123.8 -14.3 4.1 38.4 94 94 A L - 0 0 32 4,-0.2 -1,-0.3 1,-0.2 4,-0.2 -0.819 67.0-151.8 -73.4 121.0 -12.5 7.4 37.7 95 95 A d S S+ 0 0 23 -2,-0.7 -1,-0.2 -3,-0.1 44,-0.1 0.876 84.9 48.8 -64.7 -33.9 -14.3 9.8 40.1 96 96 A F S S- 0 0 2 -3,-0.1 132,-0.1 42,-0.1 127,-0.1 -0.914 114.1 -93.5-107.2 129.5 -13.6 12.8 38.0 97 97 A P S S+ 0 0 13 0, 0.0 131,-1.3 0, 0.0 2,-0.3 -0.128 77.7 104.8 -50.8 134.9 -14.5 12.1 34.4 98 98 A G E -p 228 0H 12 1128,-0.3 2,-0.3 129,-0.2 131,-0.2 -0.969 55.6-105.2-179.7-172.0 -11.5 10.9 32.5 99 99 A E E -p 229 0H 23 129,-2.0 131,-3.0 -2,-0.3 2,-0.6 -0.976 17.5-132.3-138.3 151.7 -9.4 8.1 30.9 100 100 A V E > -p 230 0H 11 -2,-0.3 3,-1.0 129,-0.2 131,-0.2 -0.956 31.0-124.8-104.5 124.4 -6.3 6.2 31.7 101 101 A D T 3 S- 0 0 77 129,-3.2 5,-0.1 -2,-0.6 131,-0.1 -0.377 87.1 -2.3 -67.5 131.6 -3.8 5.9 28.8 102 102 A N T 3> S+ 0 0 53 1,-0.1 4,-1.4 -2,-0.1 -1,-0.3 0.889 79.7 162.1 58.9 40.4 -2.8 2.4 27.7 103 103 A N H <> + 0 0 35 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.705 63.5 63.3 -71.9 -21.0 -4.9 0.9 30.5 104 104 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 106.4 44.7 -62.8 -50.2 -5.0 -2.6 28.9 105 105 A E H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.889 113.5 51.5 -55.8 -44.1 -1.2 -2.9 29.3 106 106 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.897 109.7 48.6 -64.5 -48.6 -1.5 -1.5 32.8 107 107 A R H < S+ 0 0 35 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.891 109.6 53.8 -51.7 -41.5 -4.2 -4.0 33.8 108 108 A H H >< S+ 0 0 8 -4,-2.1 3,-1.2 289,-0.3 156,-0.4 0.950 110.3 45.3 -67.1 -41.2 -2.1 -6.8 32.3 109 109 A L H 3< S+ 0 0 4 -4,-2.1 153,-1.8 1,-0.2 3,-0.3 0.770 116.7 45.0 -72.3 -27.6 1.0 -5.9 34.5 110 110 A F T 3< S+ 0 0 1 -4,-1.6 -1,-0.2 151,-0.2 3,-0.2 0.176 78.8 105.8-100.4 12.9 -1.1 -5.5 37.7 111 111 A S S < S- 0 0 2 -3,-1.2 154,-1.2 1,-0.3 2,-0.3 0.833 102.7 -12.0 -66.5 -32.7 -3.1 -8.7 37.1 112 112 A G - 0 0 0 -3,-0.3 151,-1.7 152,-0.3 150,-0.6 -0.855 67.8-172.5-161.9 145.9 -1.0 -10.1 39.9 113 113 A V E -OQ 81 261H 0 -32,-1.2 -32,-2.1 -2,-0.3 148,-0.3 -0.994 15.7-155.5-147.1 133.4 2.1 -9.0 41.6 114 114 A N E S+ 0 0 64 146,-2.7 2,-0.4 145,-0.7 146,-0.2 0.782 87.9 26.2 -78.3 -33.3 4.3 -10.8 44.1 115 115 A S E S+ Q 0 259H 29 144,-1.8 144,-2.3 145,-0.1 2,-0.4 -0.974 73.3 166.5-137.0 115.1 5.9 -7.9 45.9 116 116 A F E + Q 0 258H 4 -37,-2.3 2,-0.3 -2,-0.4 142,-0.2 -0.989 4.6 168.6-132.5 137.8 4.0 -4.6 45.9 117 117 A S E - Q 0 257H 36 140,-1.4 140,-3.3 -2,-0.4 2,-0.1 -0.888 27.6-134.9-151.8 120.9 4.6 -1.5 48.0 118 118 A R E - Q 0 256H 35 -40,-0.4 2,-0.3 -42,-0.3 138,-0.3 -0.463 30.9-174.7 -70.5 145.8 3.1 2.1 47.7 119 119 A T E - Q 0 255H 36 136,-2.5 136,-3.4 -2,-0.1 2,-0.9 -0.997 30.3-119.1-147.6 138.8 5.7 4.8 48.0 120 120 A E E - Q 0 254H 87 -2,-0.3 134,-0.2 134,-0.2 29,-0.0 -0.775 29.3-179.3 -79.0 108.9 5.8 8.6 48.1 121 121 A L + 0 0 17 132,-2.0 47,-0.2 -2,-0.9 -1,-0.2 0.941 66.3 9.7 -71.5 -48.2 7.8 9.7 45.2 122 122 A I S S- 0 0 2 131,-0.8 -1,-0.2 130,-0.1 45,-0.1 -0.998 78.5-117.2-144.9 129.2 7.7 13.6 45.6 123 123 A P >> - 0 0 64 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.448 22.9-123.9 -69.8 144.9 6.4 15.6 48.5 124 124 A P G >4 S+ 0 0 29 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.834 111.6 61.6 -56.8 -29.0 3.4 17.9 47.8 125 125 A S G >4 S+ 0 0 100 1,-0.2 3,-1.0 2,-0.1 5,-0.1 0.711 86.8 72.9 -69.3 -19.9 5.5 20.8 49.1 126 126 A K G <4 S+ 0 0 103 -3,-2.0 38,-0.3 1,-0.2 -1,-0.2 0.854 83.1 69.5 -66.9 -32.8 8.2 20.3 46.3 127 127 A W G << S- 0 0 5 -3,-0.7 2,-0.3 -4,-0.6 37,-0.3 0.759 98.0-142.2 -64.2 -18.1 5.8 21.8 43.7 128 128 A G < + 0 0 41 -3,-1.0 2,-2.6 -4,-0.3 -1,-0.2 -0.717 55.7 4.0 104.6-152.8 6.1 25.2 45.2 129 129 A D S S+ 0 0 109 -2,-0.3 27,-0.3 27,-0.0 2,-0.2 -0.412 96.8 114.7 -79.1 62.9 3.7 28.1 45.7 130 130 A I - 0 0 16 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-0.676 44.3 151.2 -76.9 94.6 14.4 5.3 41.0 170 170 A T + 0 0 128 -2,-1.5 -1,-0.2 67,-0.2 70,-0.0 0.028 40.4 101.7-105.0 24.5 17.0 4.2 43.6 171 171 A T S S- 0 0 43 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.595 85.4-126.0 -92.4 -9.4 14.9 1.2 44.8 172 172 A G S S+ 0 0 56 1,-0.3 2,-0.2 -3,-0.2 -1,-0.1 0.389 86.5 77.1 74.8 -4.8 16.6 -1.7 42.9 173 173 A R S S- 0 0 81 63,-0.1 -2,-0.3 86,-0.0 -1,-0.3 -0.784 94.6 -79.4-128.9 174.5 13.1 -2.5 41.7 174 174 A D E -T 258 0H 25 84,-1.0 84,-2.8 -2,-0.2 2,-0.5 -0.492 41.0-158.8 -75.9 135.1 10.6 -1.3 39.1 175 175 A V E -TU 257 235H 0 60,-2.9 60,-3.4 82,-0.2 2,-0.7 -0.983 8.0-145.8-123.8 122.4 8.5 1.8 40.1 176 176 A L E -TU 256 234H 1 80,-2.9 80,-1.6 -2,-0.5 2,-0.5 -0.783 18.0-166.2 -85.8 124.0 5.2 2.6 38.6 177 177 A V E - U 0 233H 1 56,-2.9 56,-1.9 -2,-0.7 2,-0.3 -0.900 1.8-166.0-110.4 132.4 4.7 6.3 38.3 178 178 A L E + U 0 232H 0 -2,-0.5 2,-0.3 76,-0.4 54,-0.2 -0.898 15.9 156.0-114.2 147.5 1.2 7.9 37.5 179 179 A W E - U 0 231H 5 52,-2.5 52,-3.0 -2,-0.3 2,-0.3 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-30.5 2.3 -93.5 12.0 1523 503 C G H << S+ 0 0 52 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.617 86.0 106.4 -81.7 -22.7 3.3 -96.8 10.3 1524 504 C I << - 0 0 94 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.0 -0.337 53.5-159.7 -63.5 144.0 3.9 -95.3 6.8 1525 505 C R - 0 0 52 1,-0.2 -526,-0.1 -2,-0.1 -2,-0.1 -0.983 18.2-159.9-131.4 121.1 7.5 -94.9 5.7 1526 506 C L S S+ 0 0 106 -2,-0.5 -1,-0.2 -528,-0.3 -527,-0.1 0.968 99.4 32.0 -60.2 -52.8 8.7 -92.6 2.9 1527 507 C V S S- 0 0 106 -529,-0.3 -1,-0.2 2,-0.0 0, 0.0 -0.923 112.0-107.1 -98.6 125.1 11.9 -94.6 2.5 1528 508 C P 0 0 107 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.216 360.0 360.0 -54.1 133.4 10.9 -98.3 3.4 1529 509 C R 0 0 223 -4,-0.0 -3,-0.0 -527,-0.0 -2,-0.0 0.686 360.0 360.0 -70.7 360.0 12.3 -99.3 6.8