==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 29-MAR-13 4BH4 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA VIRUS; . AUTHOR X.XIONG,P.J.COOMBS,S.R MARTIN,J.LIU,H.XIAO,J.W.MCCAULEY,K.LO . 491 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 20.8 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 19.1 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 4 0 0 0 0 0 0 0 0 0 0 0 1 0 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 . 6 3 8 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 3 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 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 D 0 0 200 0, 0.0 353,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 150.1 22.3 2.2 -121.0 2 0 A P - 0 0 62 0, 0.0 464,-0.1 0, 0.0 466,-0.1 -0.347 360.0-105.1 -68.7 150.0 18.9 3.7 -120.1 3 1 A D - 0 0 8 464,-0.3 462,-2.4 462,-0.2 2,-0.3 -0.360 39.3-162.2 -71.8 151.1 18.8 6.3 -117.3 4 2 A Q E -AB 352 464A 51 348,-2.5 348,-2.3 460,-0.2 2,-0.4 -0.984 18.2-164.0-135.5 145.7 17.4 5.3 -113.9 5 3 A I E -AB 351 463A 0 458,-1.9 458,-2.8 -2,-0.3 2,-0.3 -0.996 18.8-169.9-123.6 140.2 16.0 6.9 -110.8 6 4 A a E -AB 350 462A 12 344,-2.9 344,-2.2 -2,-0.4 2,-0.4 -0.934 17.0-138.6-130.0 147.7 15.8 4.9 -107.6 7 5 A I E +A 349 0A 2 454,-2.4 2,-0.3 -2,-0.3 342,-0.2 -0.872 39.7 141.9-105.3 141.4 14.2 5.4 -104.2 8 6 A G E -A 348 0A 0 340,-2.3 340,-2.5 -2,-0.4 2,-0.3 -0.901 34.8-116.8-163.7-173.7 16.1 4.3 -101.1 9 7 A Y E -A 347 0A 6 328,-0.3 330,-3.2 -2,-0.3 338,-0.3 -0.906 34.7 -80.2-145.0 163.4 17.1 4.9 -97.5 10 8 A H B +e 339 0B 28 336,-2.7 2,-0.3 -2,-0.3 330,-0.2 -0.315 36.9 177.9 -69.6 141.0 20.0 5.6 -95.2 11 9 A A + 0 0 3 328,-1.4 2,-0.2 331,-0.3 331,-0.1 -0.937 6.5 170.0-131.1 159.8 22.5 3.0 -93.9 12 10 A N - 0 0 39 -2,-0.3 328,-0.1 2,-0.2 326,-0.1 -0.813 49.4 -82.5-151.7-169.2 25.5 3.5 -91.7 13 11 A N S S+ 0 0 150 -2,-0.2 311,-0.1 16,-0.1 16,-0.1 0.290 74.9 134.6 -88.1 9.1 28.2 1.7 -89.6 14 12 A S - 0 0 18 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.334 33.1-178.0 -59.8 135.6 26.0 1.4 -86.5 15 13 A T + 0 0 88 308,-0.1 -1,-0.1 14,-0.1 2,-0.1 0.175 38.8 134.8-112.4 11.6 25.9 -2.1 -84.8 16 14 A E - 0 0 98 12,-0.4 12,-2.5 13,-0.1 2,-0.3 -0.388 40.3-155.5 -63.7 135.4 23.3 -0.9 -82.3 17 15 A Q E -F 27 0C 74 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.871 14.5-177.9-116.6 147.1 20.5 -3.4 -81.7 18 16 A V E -F 26 0C 2 8,-2.2 8,-3.4 -2,-0.3 2,-0.4 -0.893 22.1-127.1-128.7 162.7 17.0 -3.0 -80.5 19 17 A D - 0 0 55 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.893 20.6-164.9-106.8 146.0 14.2 -5.5 -79.8 20 18 A T - 0 0 4 3,-3.1 3,-0.3 -2,-0.4 407,-0.2 -0.816 38.4-102.2-119.5 167.1 10.7 -5.2 -81.3 21 19 A I S S+ 0 0 84 405,-1.7 406,-0.1 -2,-0.3 3,-0.1 0.828 123.2 31.2 -60.6 -28.8 7.6 -7.0 -80.3 22 20 A M S S+ 0 0 148 404,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.591 124.9 36.0-105.3 -8.4 7.9 -9.4 -83.3 23 21 A E - 0 0 90 -3,-0.3 -3,-3.1 403,-0.1 3,-0.3 -0.981 65.2-144.2-151.7 130.6 11.7 -9.6 -83.7 24 22 A K S S+ 0 0 163 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.555 76.6 14.5 -90.2 154.9 14.7 -9.6 -81.4 25 23 A N S S+ 0 0 103 -2,-0.2 2,-0.6 1,-0.2 -6,-0.2 0.891 71.1 176.6 52.8 56.4 18.1 -8.0 -82.0 26 24 A V E -F 18 0C 5 -8,-3.4 -8,-2.2 -3,-0.3 2,-0.3 -0.832 26.7-132.7 -89.4 122.4 17.3 -5.8 -84.9 27 25 A T E -F 17 0C 9 -2,-0.6 294,-2.8 -10,-0.2 2,-0.3 -0.609 30.9-175.8 -78.1 133.8 20.3 -3.6 -86.0 28 26 A V B -G 320 0D 0 -12,-2.5 -12,-0.4 -2,-0.3 292,-0.2 -0.845 36.8-121.2-129.7 163.0 19.4 0.1 -86.5 29 27 A T S S+ 0 0 6 290,-1.8 2,-0.3 1,-0.3 -15,-0.1 0.760 97.1 4.7 -77.5 -26.5 21.1 3.3 -87.7 30 28 A H + 0 0 108 289,-0.2 287,-2.5 -14,-0.1 288,-2.3 -0.959 66.6 175.2-158.8 142.4 20.5 5.1 -84.4 31 29 A A E -H 316 0E 18 -2,-0.3 2,-0.3 285,-0.2 285,-0.2 -0.911 15.1-147.6-143.5 166.4 19.0 4.2 -81.0 32 30 A Q E -H 315 0E 77 283,-2.7 283,-3.0 -2,-0.3 2,-0.3 -0.965 11.8-138.9-145.5 123.9 18.5 5.8 -77.6 33 31 A D E -H 314 0E 39 -2,-0.3 281,-0.2 281,-0.3 -2,-0.0 -0.652 12.4-173.6 -83.1 133.1 18.4 4.2 -74.1 34 32 A I + 0 0 1 279,-2.9 259,-1.1 -2,-0.3 2,-0.5 0.273 56.5 98.3-108.1 7.4 15.7 5.6 -71.7 35 33 A L E -i 293 0F 2 278,-0.4 2,-0.5 257,-0.1 259,-0.2 -0.872 67.9-140.4 -96.5 122.7 17.0 3.6 -68.6 36 34 A E E +i 294 0F 8 257,-3.1 259,-1.5 -2,-0.5 260,-0.3 -0.731 32.3 160.8 -80.0 124.3 19.1 5.5 -66.2 37 35 A K + 0 0 90 -2,-0.5 2,-0.3 257,-0.2 -1,-0.1 0.382 44.3 88.3-120.4 -3.8 21.9 3.2 -64.9 38 36 A K + 0 0 147 250,-0.0 250,-0.3 2,-0.0 2,-0.3 -0.765 43.0 175.9-108.7 149.2 24.5 5.7 -63.5 39 37 A H - 0 0 81 -2,-0.3 248,-0.2 248,-0.1 246,-0.1 -0.922 35.1-122.8-140.9 162.6 25.0 7.3 -60.1 40 38 A N - 0 0 70 246,-2.1 245,-0.1 -2,-0.3 247,-0.1 0.450 39.3-123.7 -93.6 -2.6 27.7 9.7 -58.8 41 39 A G S S+ 0 0 33 245,-0.2 2,-0.3 1,-0.2 244,-0.2 0.624 75.7 97.6 77.8 14.6 28.8 7.5 -55.8 42 40 A K S S- 0 0 92 244,-0.1 244,-0.7 229,-0.1 2,-0.5 -0.903 75.1-116.1-135.0 155.4 28.1 10.3 -53.3 43 41 A L E -k 273 0G 0 229,-1.2 231,-2.2 -2,-0.3 233,-0.4 -0.858 46.3-175.2 -87.9 131.6 25.6 11.6 -50.8 44 42 A b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 2,-0.1 -0.717 30.3 -86.2-125.9 166.5 24.4 15.0 -51.9 45 43 A D E -k 277 0G 29 231,-2.8 233,-2.0 -2,-0.2 2,-0.6 -0.398 39.8-131.3 -61.0 149.8 22.2 17.9 -50.9 46 44 A L E > S-kL 278 49G 6 3,-2.8 3,-2.0 231,-0.2 233,-0.2 -0.945 83.1 -17.9-110.5 105.8 18.5 17.5 -51.9 47 45 A D T 3 S- 0 0 87 231,-2.0 -1,-0.1 -2,-0.6 232,-0.1 0.802 130.6 -59.1 47.2 58.6 17.3 20.7 -53.7 48 46 A G T 3 S+ 0 0 44 230,-0.1 2,-0.5 1,-0.1 -1,-0.4 -0.051 111.4 119.2-111.9 79.0 19.9 21.9 -52.3 49 47 A V B < -L 46 0G 41 -3,-2.0 -3,-2.8 -5,-0.1 30,-0.2 -0.942 61.8-118.8-106.7 130.9 19.5 21.4 -48.6 50 48 A K - 0 0 94 -2,-0.5 29,-1.2 -5,-0.2 30,-0.2 -0.317 23.1-118.8 -72.3 147.1 22.2 19.3 -47.0 51 49 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 30,-0.2 -0.417 24.8-111.3 -75.3 162.4 21.4 16.0 -45.2 52 50 A L E -m 81 0H 13 28,-2.6 30,-2.6 56,-0.2 2,-0.7 -0.889 34.0-159.5 -90.1 115.5 22.1 15.4 -41.5 53 51 A I E -m 82 0H 38 -2,-0.7 30,-0.1 28,-0.2 28,-0.1 -0.868 9.5-170.3-105.6 107.7 24.9 12.8 -41.6 54 52 A L > - 0 0 11 28,-2.5 3,-2.0 -2,-0.7 2,-0.3 0.450 11.2-168.1 -85.8 1.0 25.2 11.0 -38.3 55 53 A R T 3 S- 0 0 119 1,-0.3 29,-0.5 27,-0.2 -1,-0.2 -0.287 74.6 -6.1 54.6-108.8 28.5 9.1 -38.9 56 54 A D T 3 S+ 0 0 79 -2,-0.3 33,-2.2 31,-0.1 2,-0.3 0.095 118.7 91.3-106.8 24.9 28.8 6.6 -36.1 57 55 A c B < -o 89 0I 6 -3,-2.0 27,-0.3 31,-0.2 33,-0.2 -0.885 65.4-133.8-123.4 148.8 25.7 7.7 -34.1 58 56 A S > - 0 0 4 31,-2.1 4,-2.4 -2,-0.3 5,-0.2 -0.504 36.3-106.0 -86.0 165.9 22.0 6.8 -34.0 59 57 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 122.7 51.8 -56.6 -44.8 19.4 9.5 -33.9 60 58 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.920 109.5 47.4 -60.0 -47.0 18.8 8.6 -30.2 61 59 A G H >>S+ 0 0 0 28,-0.3 5,-2.6 2,-0.2 4,-1.5 0.906 114.0 49.1 -60.7 -42.2 22.5 9.0 -29.3 62 60 A W H <5S+ 0 0 32 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.954 114.9 43.0 -61.7 -52.0 22.7 12.2 -31.2 63 61 A L H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 119.2 42.3 -61.5 -45.8 19.5 13.7 -29.5 64 62 A L H <5S- 0 0 0 -4,-2.7 84,-2.4 -5,-0.2 85,-0.4 0.701 112.9-117.3 -77.8 -18.7 20.4 12.5 -26.0 65 63 A G T <5 - 0 0 14 -4,-1.5 82,-2.7 -5,-0.3 -3,-0.2 0.900 28.8-159.7 79.3 45.5 24.0 13.5 -26.3 66 64 A N > < - 0 0 4 -5,-2.6 3,-1.7 80,-0.3 -1,-0.1 -0.390 16.3-137.9 -47.7 122.7 25.7 10.1 -26.0 67 65 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 73,-0.1 0.681 100.3 64.0 -71.2 -16.1 29.3 11.2 -25.0 68 66 A M T 3 S+ 0 0 65 22,-0.1 2,-0.1 71,-0.1 3,-0.1 0.588 91.5 89.2 -78.2 -14.3 30.9 8.7 -27.3 69 67 A c S < S- 0 0 16 -3,-1.7 3,-0.1 -8,-0.1 -14,-0.1 -0.386 95.2 -86.1 -74.0 161.5 29.3 10.6 -30.1 70 68 A D - 0 0 86 -16,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.293 60.3 -80.0 -63.0 152.7 30.9 13.5 -31.9 71 69 A E - 0 0 99 1,-0.1 2,-0.8 -3,-0.1 -1,-0.1 -0.222 56.6 -94.7 -53.8 142.0 30.5 16.9 -30.4 72 70 A F - 0 0 66 -3,-0.1 2,-0.5 -7,-0.0 -1,-0.1 -0.520 44.7-173.9 -65.6 105.6 27.2 18.6 -31.2 73 71 A I - 0 0 107 -2,-0.8 2,-0.1 -3,-0.1 -3,-0.0 -0.923 29.9-116.0 -98.3 124.6 27.7 20.8 -34.2 74 72 A N + 0 0 82 -2,-0.5 40,-0.1 2,-0.0 -2,-0.0 -0.393 33.4 177.8 -64.4 128.6 24.6 22.8 -35.0 75 73 A V - 0 0 46 -2,-0.1 -1,-0.0 1,-0.1 3,-0.0 -0.944 11.2-165.4-126.1 105.9 22.9 22.0 -38.3 76 74 A P + 0 0 55 0, 0.0 37,-1.0 0, 0.0 2,-0.3 0.613 67.7 14.5 -76.7 -13.4 19.9 24.3 -38.4 77 75 A E + 0 0 91 35,-0.2 2,-0.3 -26,-0.1 34,-0.2 -0.984 62.1 176.4-151.7 153.0 18.1 22.5 -41.3 78 76 A W B -P 110 0J 1 32,-2.1 32,-1.8 -2,-0.3 -28,-0.1 -0.986 27.1-146.2-155.3 161.9 18.3 19.3 -43.2 79 77 A S S S- 0 0 4 -29,-1.2 2,-0.3 1,-0.3 186,-0.2 0.741 82.4 -7.5 -98.8 -32.3 16.5 17.4 -46.0 80 78 A Y - 0 0 0 -30,-0.2 -28,-2.6 184,-0.1 2,-0.4 -0.970 67.1-114.8-157.3 163.7 17.0 13.8 -44.9 81 79 A I E -mn 52 266H 0 184,-1.4 186,-3.5 -2,-0.3 2,-0.5 -0.885 19.5-156.5-107.6 138.8 18.9 11.8 -42.2 82 80 A V E +mn 53 267H 4 -30,-2.6 -28,-2.5 -2,-0.4 2,-0.3 -0.973 15.7 173.8-115.7 119.9 21.7 9.4 -43.0 83 81 A E E - n 0 268H 4 184,-2.5 186,-2.2 -2,-0.5 2,-0.1 -0.913 34.7-114.7-114.4 148.7 22.5 6.6 -40.5 84 82 A K - 0 0 43 -29,-0.5 186,-0.1 -2,-0.3 -30,-0.0 -0.432 39.6-105.0 -70.4 159.0 24.9 3.8 -41.0 85 83 A A S S+ 0 0 45 1,-0.3 -1,-0.1 -2,-0.1 185,-0.0 0.891 113.4 17.3 -56.7 -42.4 23.1 0.4 -41.0 86 84 A N S S- 0 0 148 -28,-0.0 -1,-0.3 -29,-0.0 -28,-0.1 -0.703 83.8-153.8-133.0 81.0 24.3 -0.4 -37.5 87 85 A P - 0 0 29 0, 0.0 -30,-0.1 0, 0.0 -31,-0.1 -0.294 7.4-147.3 -58.5 132.8 25.5 2.7 -35.7 88 86 A V S S+ 0 0 105 1,-0.2 2,-0.7 -32,-0.1 -31,-0.2 0.798 85.6 57.5 -72.2 -29.0 28.1 1.9 -33.0 89 87 A N B +o 57 0I 26 -33,-2.2 -31,-2.1 1,-0.1 -28,-0.3 -0.879 65.8 121.1-111.9 104.9 27.0 4.7 -30.6 90 88 A D S S- 0 0 67 -2,-0.7 2,-0.8 -33,-0.2 -24,-0.2 0.352 80.1 -3.8-124.5-108.1 23.3 4.5 -29.7 91 89 A L - 0 0 29 1,-0.2 4,-0.1 4,-0.1 -1,-0.1 -0.865 60.5-168.9 -92.6 106.4 22.2 4.2 -26.0 92 90 A d S S+ 0 0 3 -2,-0.8 -1,-0.2 2,-0.1 -31,-0.0 0.922 82.3 52.9 -62.2 -43.3 25.4 4.0 -24.1 93 91 A Y S S- 0 0 9 -3,-0.1 135,-0.2 1,-0.1 -1,-0.1 -0.840 110.1-107.0 -88.7 124.9 23.4 3.0 -21.0 94 92 A P + 0 0 10 0, 0.0 134,-2.0 0, 0.0 2,-0.3 -0.149 69.9 86.6 -59.3 146.8 21.2 0.1 -22.0 95 93 A G E -q 228 0K 24 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.984 63.6 -68.8 165.2-150.7 17.5 0.7 -22.4 96 94 A D E -q 229 0K 102 132,-1.9 134,-2.6 -2,-0.3 2,-0.5 -0.901 18.4-141.4-138.8 160.3 14.7 1.8 -24.7 97 95 A F E > -q 230 0K 20 -2,-0.3 3,-1.0 132,-0.2 134,-0.2 -0.986 30.3-127.1-128.7 114.8 13.4 4.9 -26.4 98 96 A N T 3 S- 0 0 61 132,-3.1 5,-0.1 -2,-0.5 134,-0.1 -0.394 86.8 -3.7 -67.7 135.9 9.6 5.1 -26.5 99 97 A D T 3> S+ 0 0 96 -2,-0.1 4,-1.8 1,-0.1 -1,-0.3 0.895 84.3 161.1 48.1 47.9 8.0 5.7 -30.0 100 98 A Y H <> + 0 0 29 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.897 64.7 51.0 -67.5 -42.5 11.4 5.9 -31.4 101 99 A E H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 109.5 50.5 -68.7 -39.0 10.5 5.2 -35.1 102 100 A E H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 109.8 51.2 -63.2 -39.9 7.8 7.9 -35.1 103 101 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.936 109.8 49.7 -63.1 -45.5 10.3 10.4 -33.6 104 102 A K H X S+ 0 0 34 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.887 110.5 50.3 -58.0 -40.8 12.8 9.5 -36.4 105 103 A H H >< S+ 0 0 58 -4,-2.1 3,-0.9 2,-0.2 159,-0.5 0.940 110.6 49.6 -62.5 -45.4 10.1 10.0 -39.0 106 104 A L H 3< S+ 0 0 43 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.882 115.1 44.0 -59.7 -39.8 9.2 13.4 -37.5 107 105 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.504 85.2 96.8 -85.6 -3.3 12.9 14.5 -37.5 108 106 A S S << S+ 0 0 0 -3,-0.9 2,-0.4 -4,-0.7 157,-0.3 0.824 96.2 22.6 -59.5 -39.1 13.7 13.2 -41.0 109 107 A R S S+ 0 0 74 -3,-0.5 2,-0.4 -4,-0.4 153,-0.3 -0.994 76.7 177.1-131.5 126.3 13.2 16.6 -42.6 110 108 A I B -P 78 0J 3 -32,-1.8 -32,-2.1 -2,-0.4 150,-0.2 -0.992 24.3-167.2-138.1 133.6 13.5 19.8 -40.5 111 109 A N S S+ 0 0 75 148,-2.5 2,-0.3 -2,-0.4 149,-0.2 0.809 84.8 13.0 -89.2 -38.5 13.2 23.5 -41.5 112 110 A H E +R 259 0K 52 147,-1.5 147,-2.3 -35,-0.1 2,-0.4 -0.989 64.4 174.0-141.8 137.1 14.6 24.9 -38.3 113 111 A F E +R 258 0K 2 -37,-1.0 2,-0.3 -2,-0.3 145,-0.2 -0.988 5.9 165.1-142.7 127.4 16.4 23.1 -35.4 114 112 A E E -R 257 0K 72 143,-1.8 143,-3.0 -2,-0.4 2,-0.3 -0.918 28.1-138.3-151.2 118.4 18.0 24.7 -32.3 115 113 A K E +R 256 0K 51 -2,-0.3 2,-0.3 141,-0.2 141,-0.2 -0.596 29.6 179.6 -73.6 130.1 19.2 23.2 -29.0 116 114 A I E -R 255 0K 28 139,-3.1 139,-2.8 -2,-0.3 2,-0.5 -0.970 32.2-114.4-132.4 152.9 18.3 25.3 -26.0 117 115 A Q E +R 254 0K 95 -2,-0.3 137,-0.3 137,-0.2 31,-0.0 -0.733 36.2 166.7 -82.8 124.2 18.8 25.0 -22.3 118 116 A I S S+ 0 0 13 135,-2.9 136,-0.2 -2,-0.5 -1,-0.2 0.688 71.5 25.3-110.7 -29.7 15.4 24.6 -20.5 119 117 A I S S- 0 0 6 134,-1.9 -1,-0.3 47,-0.1 5,-0.1 -0.876 84.5-132.1-134.7 105.1 16.4 23.5 -17.0 120 118 A P > - 0 0 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-4,-0.2 -4,-0.1 0.674 89.3 105.2 77.5 20.1 7.5 16.7 -107.9 481 156 B T < + 0 0 90 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 0.069 38.3 151.4-119.2 21.2 7.3 18.8 -111.1 482 157 B Y - 0 0 18 -6,-0.9 2,-1.0 -5,-0.2 -9,-0.1 -0.338 40.8-139.9 -58.1 130.1 8.1 16.1 -113.7 483 158 B D >> - 0 0 77 1,-0.2 3,-0.7 -10,-0.1 4,-0.6 -0.794 20.8-177.6 -99.9 94.8 6.4 17.1 -117.0 484 159 B Y H >> S+ 0 0 43 -2,-1.0 3,-1.5 1,-0.2 4,-1.5 0.914 77.5 57.0 -59.5 -49.7 5.1 13.8 -118.4 485 160 B P H 34 S+ 0 0 95 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.764 98.3 64.7 -57.1 -24.5 3.6 15.2 -121.7 486 161 B Q H <4 S+ 0 0 128 -3,-0.7 4,-0.2 1,-0.2 -2,-0.2 0.816 114.2 27.6 -66.5 -32.0 7.0 16.6 -122.6 487 162 B Y H