==== 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 4BH3 . 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) . 24731.0 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 . 9 1.8 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 . 40 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.5 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 0 198 0, 0.0 353,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.8 -28.8 27.2 66.4 2 0 A P - 0 0 67 0, 0.0 464,-0.1 0, 0.0 466,-0.1 -0.196 360.0-106.4 -64.6 150.9 -32.1 25.8 65.3 3 1 A D - 0 0 9 464,-0.3 462,-2.2 462,-0.2 2,-0.3 -0.393 38.4-161.3 -71.6 151.2 -32.2 23.1 62.6 4 2 A Q E -AB 352 464A 55 348,-2.5 348,-2.5 460,-0.2 2,-0.4 -0.987 18.1-166.6-135.3 144.3 -33.5 24.1 59.1 5 3 A I E -AB 351 463A 1 458,-1.9 458,-3.1 -2,-0.3 2,-0.3 -0.995 18.6-170.0-124.7 142.1 -34.9 22.5 56.0 6 4 A a E -AB 350 462A 12 344,-2.8 344,-2.1 -2,-0.4 2,-0.4 -0.942 18.2-137.1-130.8 147.6 -35.2 24.5 52.8 7 5 A I E +A 349 0A 2 454,-2.1 2,-0.3 -2,-0.3 342,-0.2 -0.872 40.2 142.5-103.1 139.9 -36.8 24.1 49.4 8 6 A G E -A 348 0A 0 340,-2.2 340,-2.3 -2,-0.4 2,-0.3 -0.891 34.3-116.7-161.2-174.3 -34.8 25.2 46.3 9 7 A Y E -A 347 0A 6 328,-0.3 330,-3.5 -2,-0.3 338,-0.2 -0.890 34.2 -80.0-142.2 164.8 -33.9 24.6 42.7 10 8 A H B +e 339 0B 29 336,-2.8 2,-0.3 -2,-0.3 330,-0.2 -0.366 38.3 176.3 -70.9 137.1 -31.0 23.8 40.4 11 9 A A + 0 0 5 328,-1.5 2,-0.2 331,-0.3 310,-0.1 -0.931 6.0 167.6-129.3 159.2 -28.5 26.4 39.1 12 10 A N - 0 0 39 -2,-0.3 328,-0.1 2,-0.2 326,-0.1 -0.810 49.7 -80.4-152.1-166.1 -25.5 25.9 36.9 13 11 A N S S+ 0 0 150 -2,-0.2 2,-0.1 16,-0.1 311,-0.1 0.253 74.3 133.9 -92.2 10.8 -22.8 27.7 34.8 14 12 A S - 0 0 20 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.405 33.3-177.7 -65.3 132.7 -25.0 28.0 31.7 15 13 A T + 0 0 90 -2,-0.1 -1,-0.1 308,-0.1 14,-0.1 0.241 39.9 133.0-106.9 6.4 -25.0 31.4 30.0 16 14 A E - 0 0 101 12,-0.3 12,-2.5 13,-0.1 2,-0.3 -0.374 40.6-158.3 -60.4 133.6 -27.6 30.3 27.4 17 15 A Q E -F 27 0C 77 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.874 13.3-176.3-116.4 148.6 -30.4 32.8 26.9 18 16 A V E -F 26 0C 2 8,-2.5 8,-3.2 -2,-0.3 2,-0.4 -0.879 21.6-125.1-128.8 167.0 -34.0 32.5 25.6 19 17 A D - 0 0 58 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.890 21.1-166.9-108.8 145.2 -36.8 35.0 25.0 20 18 A T - 0 0 4 3,-3.1 407,-0.2 -2,-0.4 3,-0.2 -0.796 39.3-101.1-119.1 170.2 -40.3 34.6 26.4 21 19 A I S S+ 0 0 87 405,-1.5 406,-0.1 -2,-0.3 3,-0.1 0.845 122.9 32.7 -61.4 -31.2 -43.4 36.5 25.4 22 20 A M S S+ 0 0 157 404,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.589 125.5 31.9-100.6 -15.5 -43.1 38.8 28.5 23 21 A E - 0 0 92 -3,-0.2 -3,-3.1 403,-0.1 3,-0.3 -0.985 64.6-144.4-151.6 132.9 -39.3 39.1 28.8 24 22 A K S S+ 0 0 160 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.587 76.2 18.7 -93.2 155.7 -36.2 39.0 26.5 25 23 A N S S+ 0 0 106 -2,-0.2 2,-0.6 1,-0.2 -6,-0.2 0.877 70.6 175.1 57.8 50.5 -32.8 37.5 27.2 26 24 A V E -F 18 0C 5 -8,-3.2 -8,-2.5 -3,-0.3 2,-0.3 -0.787 26.4-135.5 -87.3 120.9 -33.7 35.2 30.1 27 25 A T E -F 17 0C 9 -2,-0.6 294,-2.8 -10,-0.2 2,-0.3 -0.643 29.8-177.0 -80.5 134.3 -30.7 33.0 31.1 28 26 A V B -G 320 0D 0 -12,-2.5 -12,-0.3 -2,-0.3 292,-0.2 -0.857 37.8-119.0-130.9 163.1 -31.6 29.4 31.7 29 27 A T S S+ 0 0 6 290,-2.1 2,-0.3 -2,-0.3 -15,-0.1 0.750 96.8 4.1 -74.9 -27.7 -29.9 26.2 32.8 30 28 A H + 0 0 107 289,-0.2 287,-2.7 -14,-0.1 288,-2.4 -0.959 66.0 173.7-159.9 143.8 -30.5 24.3 29.5 31 29 A A E -H 316 0E 18 -2,-0.3 2,-0.3 285,-0.3 285,-0.2 -0.914 15.7-147.3-145.8 167.4 -32.0 25.1 26.1 32 30 A Q E -H 315 0E 73 283,-2.6 283,-3.1 -2,-0.3 2,-0.4 -0.969 12.2-138.8-147.1 124.8 -32.5 23.6 22.7 33 31 A D E -H 314 0E 50 -2,-0.3 281,-0.2 281,-0.3 -2,-0.0 -0.677 11.6-172.4 -85.0 134.4 -32.6 25.2 19.2 34 32 A I + 0 0 0 279,-2.8 259,-1.1 -2,-0.4 2,-0.6 0.235 56.2 99.1-108.9 10.9 -35.3 23.8 16.9 35 33 A L E -i 293 0F 8 278,-0.3 2,-0.5 257,-0.1 259,-0.2 -0.884 68.3-139.1 -99.1 121.6 -34.1 25.7 13.8 36 34 A E E +i 294 0F 26 257,-3.1 259,-1.5 -2,-0.6 260,-0.2 -0.689 32.7 161.4 -75.9 124.7 -32.0 23.7 11.3 37 35 A K + 0 0 89 -2,-0.5 2,-0.3 257,-0.2 -1,-0.1 0.430 45.1 87.2-120.0 -3.5 -29.1 26.0 10.0 38 36 A K + 0 0 151 250,-0.1 2,-0.3 2,-0.0 250,-0.2 -0.739 41.5 171.4-108.3 147.9 -26.7 23.4 8.6 39 37 A H - 0 0 70 -2,-0.3 248,-0.2 248,-0.1 246,-0.1 -0.911 38.7-119.6-139.8 164.8 -26.2 21.7 5.3 40 38 A N - 0 0 71 246,-1.6 245,-0.1 -2,-0.3 3,-0.1 0.408 40.7-123.1 -90.9 -1.5 -23.4 19.4 3.9 41 39 A G S S+ 0 0 31 245,-0.2 2,-0.3 1,-0.2 244,-0.2 0.649 75.1 103.9 75.1 16.4 -22.4 21.7 1.0 42 40 A K S S- 0 0 92 244,-0.1 2,-0.5 229,-0.1 244,-0.5 -0.892 73.1-119.4-132.9 154.7 -23.0 18.9 -1.6 43 41 A L E -k 273 0G 0 229,-1.2 231,-2.6 -2,-0.3 233,-0.3 -0.872 47.0-178.1 -91.4 125.6 -25.5 17.7 -4.2 44 42 A b E - 0 0 0 -2,-0.5 233,-0.2 229,-0.2 5,-0.1 -0.680 31.4 -85.1-123.0 167.1 -26.8 14.2 -3.1 45 43 A D E -k 277 0G 29 231,-2.8 233,-1.5 -2,-0.2 2,-0.6 -0.350 40.4-132.6 -59.9 154.5 -29.0 11.3 -4.1 46 44 A L E > S-kL 278 49G 6 3,-2.6 3,-2.1 231,-0.2 233,-0.2 -0.949 80.9 -15.8-119.6 106.0 -32.6 11.7 -3.1 47 45 A D T 3 S- 0 0 85 231,-1.7 -1,-0.1 -2,-0.6 232,-0.1 0.814 131.0 -61.9 54.9 50.5 -34.1 8.6 -1.4 48 46 A G T 3 S+ 0 0 46 230,-0.1 2,-0.4 1,-0.1 -1,-0.4 -0.070 110.9 120.7-111.6 79.6 -31.5 7.4 -2.7 49 47 A V B < -L 46 0G 42 -3,-2.1 -3,-2.6 -5,-0.1 30,-0.2 -0.908 61.9-114.2-105.0 134.6 -31.8 7.8 -6.4 50 48 A K - 0 0 100 -2,-0.4 29,-1.3 -5,-0.2 30,-0.2 -0.286 25.3-120.9 -70.5 147.9 -29.0 9.9 -8.1 51 49 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 30,-0.2 -0.476 23.2-112.9 -78.3 162.0 -29.8 13.2 -9.8 52 50 A L E -m 81 0H 11 28,-2.5 30,-2.8 56,-0.2 2,-0.7 -0.890 34.2-163.2 -90.6 113.3 -29.1 13.9 -13.5 53 51 A I E -m 82 0H 31 -2,-0.7 30,-0.2 28,-0.2 220,-0.1 -0.884 9.1-169.3-106.6 111.6 -26.3 16.5 -13.4 54 52 A L > - 0 0 14 28,-2.5 3,-1.8 -2,-0.7 2,-0.2 0.426 11.1-163.3 -87.8 2.8 -25.9 18.2 -16.7 55 53 A R T 3 S- 0 0 108 1,-0.3 29,-0.6 27,-0.2 -1,-0.2 -0.335 75.9 -8.7 50.9-111.1 -22.6 20.0 -16.0 56 54 A D T 3 S+ 0 0 71 -2,-0.2 33,-2.1 31,-0.1 2,-0.3 0.050 116.7 92.4-108.6 30.0 -22.5 22.7 -18.8 57 55 A c B < -o 89 0I 8 -3,-1.8 27,-0.2 31,-0.2 33,-0.2 -0.909 65.5-131.0-122.7 148.5 -25.4 21.6 -20.9 58 56 A S > - 0 0 4 31,-1.9 4,-2.5 -2,-0.3 5,-0.2 -0.476 35.9-105.4 -82.7 163.5 -29.1 22.5 -21.0 59 57 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 122.7 52.3 -54.7 -42.0 -31.7 19.8 -21.1 60 58 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.911 109.1 47.1 -63.0 -46.1 -32.3 20.6 -24.8 61 59 A G H >>S+ 0 0 0 28,-0.2 5,-2.7 2,-0.2 4,-1.5 0.913 114.2 49.2 -61.5 -43.9 -28.6 20.3 -25.7 62 60 A W H <5S+ 0 0 31 -4,-2.5 -2,-0.2 3,-0.2 3,-0.2 0.953 114.8 43.4 -58.5 -53.8 -28.4 17.0 -23.8 63 61 A L H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 119.4 41.5 -59.1 -48.0 -31.6 15.6 -25.5 64 62 A L H <5S- 0 0 0 -4,-2.8 84,-2.4 -5,-0.2 85,-0.4 0.675 113.1-115.5 -77.9 -17.7 -30.7 16.7 -29.0 65 63 A G T <5 - 0 0 14 -4,-1.5 82,-2.6 -5,-0.2 -3,-0.2 0.903 29.6-158.9 81.3 44.5 -27.0 15.8 -28.7 66 64 A N > < - 0 0 4 -5,-2.7 3,-1.7 80,-0.3 -1,-0.2 -0.398 15.2-139.0 -48.7 120.5 -25.4 19.2 -29.0 67 65 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 79,-0.1 0.709 99.2 64.4 -66.8 -19.7 -21.9 18.1 -30.1 68 66 A M T 3 S+ 0 0 65 71,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.628 91.4 86.0 -75.8 -16.2 -20.2 20.7 -27.8 69 67 A c S < S- 0 0 17 -3,-1.7 3,-0.1 1,-0.1 2,-0.1 -0.346 98.2 -85.2 -72.7 164.0 -21.8 18.8 -24.9 70 68 A D - 0 0 98 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.374 61.2 -83.5 -64.2 150.9 -20.1 15.8 -23.2 71 69 A E - 0 0 108 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.244 57.8 -89.5 -58.4 146.0 -20.7 12.5 -25.0 72 70 A F - 0 0 60 -3,-0.1 2,-0.5 -10,-0.0 -1,-0.1 -0.452 43.2-170.3 -65.8 113.7 -24.0 10.8 -23.9 73 71 A I - 0 0 110 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.927 29.8-114.1-100.5 129.6 -23.5 8.5 -20.9 74 72 A N + 0 0 90 -2,-0.5 40,-0.1 2,-0.0 -2,-0.0 -0.484 34.6 176.6 -66.3 119.1 -26.6 6.4 -20.2 75 73 A V - 0 0 44 -2,-0.4 3,-0.0 1,-0.1 -1,-0.0 -0.963 11.8-165.2-117.6 107.9 -28.3 7.2 -16.9 76 74 A P + 0 0 53 0, 0.0 37,-1.1 0, 0.0 2,-0.3 0.562 66.2 8.4 -77.8 -9.1 -31.3 5.0 -16.7 77 75 A E + 0 0 87 35,-0.2 2,-0.3 -26,-0.1 34,-0.2 -0.968 61.2 177.0-161.4 154.1 -33.1 6.8 -13.9 78 76 A W B -P 110 0J 2 32,-2.2 32,-1.8 -2,-0.3 -28,-0.1 -0.984 27.7-142.2-158.1 165.7 -32.9 9.9 -11.8 79 77 A S S S- 0 0 6 -29,-1.3 2,-0.3 1,-0.4 186,-0.2 0.737 83.3 -7.6-101.4 -33.4 -34.7 11.9 -9.0 80 78 A Y - 0 0 0 -30,-0.2 -28,-2.5 184,-0.1 2,-0.4 -0.961 67.7-115.4-156.9 162.3 -34.2 15.5 -10.1 81 79 A I E -mn 52 266H 0 184,-1.4 186,-3.5 -2,-0.3 2,-0.5 -0.886 19.3-156.2-106.8 138.0 -32.2 17.4 -12.8 82 80 A V E +mn 53 267H 4 -30,-2.8 -28,-2.5 -2,-0.4 2,-0.3 -0.963 16.3 171.8-113.3 122.0 -29.4 19.9 -12.0 83 81 A E E - n 0 268H 4 184,-2.4 186,-2.4 -2,-0.5 2,-0.1 -0.892 35.7-111.9-115.5 154.0 -28.5 22.6 -14.5 84 82 A K - 0 0 29 -29,-0.6 186,-0.1 -2,-0.3 -30,-0.0 -0.442 38.7-105.1 -70.6 160.3 -26.1 25.5 -14.0 85 83 A A S S+ 0 0 45 1,-0.3 -1,-0.1 -2,-0.1 185,-0.0 0.916 114.4 18.3 -53.8 -46.0 -27.8 28.9 -13.9 86 84 A N S S- 0 0 137 -28,-0.0 -1,-0.3 -29,-0.0 2,-0.1 -0.729 81.8-155.4-131.1 80.8 -26.6 29.7 -17.4 87 85 A P - 0 0 29 0, 0.0 -30,-0.1 0, 0.0 -31,-0.1 -0.374 7.6-148.6 -61.3 128.1 -25.5 26.5 -19.3 88 86 A V S S+ 0 0 103 1,-0.2 2,-0.8 -2,-0.1 -31,-0.2 0.877 85.3 56.2 -65.9 -37.4 -23.0 27.5 -22.0 89 87 A N B +o 57 0I 32 -33,-2.1 -31,-1.9 1,-0.1 -28,-0.2 -0.840 65.6 122.7-104.9 102.8 -24.1 24.7 -24.4 90 88 A D S S- 0 0 65 -2,-0.8 2,-0.8 -33,-0.2 -24,-0.2 0.476 80.2 -1.6-120.0 -97.6 -27.8 24.9 -25.2 91 89 A L - 0 0 30 1,-0.2 -1,-0.1 4,-0.1 4,-0.1 -0.901 60.4-170.1-102.2 107.1 -28.9 25.2 -28.9 92 90 A d S S+ 0 0 2 -2,-0.8 -1,-0.2 2,-0.1 -31,-0.0 0.937 82.2 52.0 -63.6 -46.9 -25.6 25.4 -30.9 93 91 A Y S S- 0 0 11 -3,-0.1 135,-0.2 1,-0.1 -1,-0.1 -0.814 109.1-109.4 -86.5 125.1 -27.6 26.3 -34.0 94 92 A P S S+ 0 0 12 0, 0.0 134,-2.0 0, 0.0 2,-0.3 -0.149 70.3 78.8 -64.1 151.5 -29.8 29.2 -33.0 95 93 A G E -q 228 0K 23 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.985 66.5 -60.4 156.3-143.4 -33.6 28.8 -32.6 96 94 A D E -q 229 0K 109 132,-2.1 134,-3.1 -2,-0.3 2,-0.5 -0.953 17.0-140.0-148.0 156.5 -36.3 27.5 -30.3 97 95 A F E > -q 230 0K 22 -2,-0.3 3,-0.9 132,-0.2 134,-0.2 -0.981 31.4-129.4-123.2 115.8 -37.7 24.5 -28.5 98 96 A N T 3 S- 0 0 61 132,-3.0 5,-0.1 -2,-0.5 134,-0.0 -0.407 86.0 -3.4 -69.6 137.1 -41.5 24.2 -28.5 99 97 A D T 3> S+ 0 0 98 -2,-0.1 4,-1.8 1,-0.1 -1,-0.3 0.890 84.9 159.9 48.8 45.4 -43.2 23.6 -25.0 100 98 A Y H <> + 0 0 29 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.881 63.6 51.3 -68.8 -41.4 -39.7 23.4 -23.5 101 99 A E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 110.0 49.4 -67.9 -41.3 -40.6 24.1 -19.9 102 100 A E H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 110.8 51.4 -61.9 -40.3 -43.3 21.4 -19.9 103 101 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.930 109.5 49.3 -62.6 -46.0 -40.8 18.9 -21.4 104 102 A K H X S+ 0 0 37 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.918 110.8 50.3 -58.3 -43.9 -38.2 19.8 -18.7 105 103 A H H >< S+ 0 0 60 -4,-2.4 3,-0.9 1,-0.2 159,-0.5 0.917 109.7 50.9 -59.0 -43.4 -40.9 19.3 -16.0 106 104 A L H 3< S+ 0 0 43 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.890 114.1 44.2 -61.5 -38.6 -41.9 15.9 -17.5 107 105 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.481 85.4 97.9 -86.2 -2.3 -38.2 14.8 -17.5 108 106 A S S << S+ 0 0 0 -3,-0.9 2,-0.4 -4,-0.7 157,-0.3 0.875 96.1 20.7 -57.0 -44.8 -37.5 16.1 -14.0 109 107 A R S S+ 0 0 74 -3,-0.4 2,-0.4 -4,-0.4 152,-0.2 -0.997 76.8 177.4-128.9 127.1 -38.0 12.7 -12.4 110 108 A I B -P 78 0J 3 -32,-1.8 -32,-2.2 -2,-0.4 150,-0.2 -0.996 24.2-166.7-137.6 135.0 -37.7 9.5 -14.5 111 109 A N S S+ 0 0 69 148,-2.4 2,-0.3 -2,-0.4 149,-0.2 0.769 84.8 13.3 -91.9 -34.5 -37.9 5.8 -13.5 112 110 A H E +R 259 0K 49 147,-1.3 147,-2.2 -35,-0.0 2,-0.3 -0.976 64.0 174.4-144.3 137.7 -36.6 4.4 -16.8 113 111 A F E +R 258 0K 1 -37,-1.1 2,-0.3 -2,-0.3 145,-0.2 -0.987 5.9 165.9-143.9 126.6 -34.7 6.2 -19.6 114 112 A E E -R 257 0K 74 143,-1.9 143,-3.1 -2,-0.3 2,-0.3 -0.925 27.0-140.0-151.1 117.4 -33.2 4.6 -22.7 115 113 A K E +R 256 0K 56 -2,-0.3 2,-0.3 141,-0.3 141,-0.2 -0.603 29.3 177.7 -74.8 130.6 -32.0 6.1 -26.0 116 114 A I E -R 255 0K 29 139,-3.3 139,-2.7 -2,-0.3 2,-0.5 -0.973 33.5-114.2-133.3 153.2 -32.8 4.0 -29.1 117 115 A Q E +R 254 0K 97 -2,-0.3 137,-0.3 137,-0.2 31,-0.0 -0.746 36.1 166.8 -80.5 125.3 -32.3 4.3 -32.8 118 116 A I S S+ 0 0 15 135,-2.9 136,-0.2 -2,-0.5 -1,-0.2 0.677 71.6 26.4-110.7 -29.6 -35.7 4.6 -34.5 119 117 A I S S- 0 0 6 134,-1.8 -1,-0.3 47,-0.1 47,-0.0 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