==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-AUG-13 4M40 . COMPND 2 MOLECULE: HEMAGGLUTININ HA1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR F.NI,E.KONDRASHKINA,Q.WANG . 1541 6 21 18 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 907 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 276 17.9 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 . 9 0.6 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-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 . 6 0.4 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 . 121 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.0 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 6 3 0 6 0 0 0 0 0 0 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 9 12 0 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 . 12 6 21 12 3 6 0 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 . 3 12 6 3 0 0 3 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 31 0, 0.0 482,-4.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 164.0 27.3 72.3 114.6 2 2 A R E -AB 370 482A 14 368,-0.7 368,-3.9 480,-0.2 2,-0.4 -0.936 360.0-166.9-112.6 132.0 26.3 70.5 111.4 3 3 A I E +AB 369 481A 0 478,-3.0 478,-3.0 -2,-0.4 2,-0.3 -0.966 12.2 175.2-123.8 130.5 28.7 70.1 108.4 4 4 A a E -AB 368 480A 8 364,-3.3 364,-3.1 -2,-0.4 2,-0.3 -0.891 31.2-114.5-134.4 155.0 27.6 68.9 104.9 5 5 A T E +A 367 0A 18 474,-1.5 2,-0.3 -2,-0.3 362,-0.3 -0.662 44.3 171.8 -82.7 147.1 28.9 68.4 101.4 6 6 A G E -A 366 0A 5 360,-3.4 360,-2.9 -2,-0.3 2,-0.3 -0.976 29.7-130.1-154.1 168.1 27.5 70.7 98.7 7 7 A I E -A 365 0A 3 348,-0.4 350,-1.3 -2,-0.3 358,-0.2 -0.942 34.7-105.6-123.7 145.0 27.5 71.9 95.1 8 8 A T B -e 357 0B 4 356,-2.9 2,-0.4 -2,-0.3 350,-0.2 -0.012 18.7-144.8 -63.6 166.1 27.6 75.5 93.8 9 9 A S + 0 0 6 348,-1.0 2,-0.3 351,-0.2 327,-0.1 -0.987 33.8 144.7-133.9 124.2 24.8 77.5 92.2 10 10 A S - 0 0 59 -2,-0.4 327,-0.3 327,-0.1 2,-0.1 -0.888 60.9 -59.1-146.6 171.5 25.6 80.0 89.5 11 11 A N - 0 0 137 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.396 51.0-169.8 -57.6 132.1 23.9 81.3 86.4 12 12 A S + 0 0 6 1,-0.1 15,-0.2 -2,-0.1 324,-0.1 -0.620 27.8 146.6-132.3 72.1 23.4 78.3 84.2 13 13 A P + 0 0 74 0, 0.0 2,-0.2 0, 0.0 14,-0.1 0.562 46.9 95.1 -85.4 -10.6 22.4 79.4 80.7 14 14 A H E -F 26 0C 70 12,-1.5 12,-3.3 -3,-0.1 2,-0.4 -0.588 59.0-157.1 -88.9 143.5 24.1 76.6 78.8 15 15 A V E +F 25 0C 59 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.963 12.4 177.0-120.5 137.6 22.2 73.4 77.8 16 16 A V E -F 24 0C 7 8,-2.3 8,-2.7 -2,-0.4 2,-0.4 -0.966 27.1-118.0-131.9 156.9 23.6 70.0 77.1 17 17 A K E -F 23 0C 96 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.733 28.7-175.9 -92.4 139.7 21.9 66.6 76.2 18 18 A T - 0 0 3 4,-1.7 4,-0.4 -2,-0.4 427,-0.1 -0.846 30.0-128.7-123.4 166.1 22.3 63.6 78.4 19 19 A A S S+ 0 0 9 425,-0.4 894,-0.3 -2,-0.3 895,-0.1 0.841 105.4 26.9 -80.1 -36.0 21.1 60.0 78.0 20 20 A T S S+ 0 0 18 2,-0.1 889,-0.3 889,-0.1 890,-0.2 0.574 129.6 36.2-107.9 -11.8 19.4 59.6 81.4 21 21 A Q S S- 0 0 44 1,-0.3 -2,-0.1 888,-0.1 -1,-0.1 0.381 92.1-140.2-120.9 2.1 18.4 63.1 82.3 22 22 A G - 0 0 13 -4,-0.4 -4,-1.7 884,-0.1 2,-0.4 -0.402 66.7 -7.2 71.7-148.6 17.4 64.6 79.0 23 23 A E E S-F 17 0C 129 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.638 75.9-172.7 -79.6 131.0 18.5 68.2 78.3 24 24 A V E -F 16 0C 8 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.3 -0.952 23.5-120.1-127.7 147.5 20.0 69.8 81.4 25 25 A N E -F 15 0C 70 -2,-0.4 311,-2.2 -10,-0.2 2,-0.3 -0.636 34.1-170.4 -83.6 140.4 21.1 73.3 82.2 26 26 A V E -FG 14 335C 0 -12,-3.3 -12,-1.5 -2,-0.3 309,-0.2 -0.906 32.1-128.2-132.9 161.2 24.8 73.8 83.1 27 27 A T S S+ 0 0 30 307,-2.0 2,-0.3 -2,-0.3 308,-0.1 0.804 89.6 7.1 -79.3 -23.4 27.0 76.6 84.4 28 28 A G - 0 0 14 306,-0.2 304,-2.6 -16,-0.1 2,-0.3 -0.998 59.1-171.2-160.1 151.4 29.6 76.3 81.7 29 29 A V E -H 331 0D 30 -2,-0.3 302,-0.2 302,-0.3 -13,-0.0 -0.942 23.3-134.2-140.3 160.2 30.5 74.6 78.4 30 30 A I E -H 330 0D 36 300,-2.5 300,-2.8 -2,-0.3 2,-0.1 -0.976 32.8-134.1-111.5 109.7 33.3 74.1 76.0 31 31 A P E -H 329 0D 54 0, 0.0 298,-0.2 0, 0.0 297,-0.1 -0.440 19.1-170.9 -64.0 138.2 31.9 74.7 72.5 32 32 A L + 0 0 0 296,-2.6 276,-2.1 274,-0.1 2,-0.3 0.492 63.6 51.5-106.7 -9.1 33.1 71.9 70.1 33 33 A T E -i 308 0E 14 295,-0.7 2,-0.3 274,-0.1 276,-0.2 -0.865 53.7-175.0-128.2 157.8 31.8 73.5 66.9 34 34 A T E -i 309 0E 53 274,-0.6 276,-2.4 -2,-0.3 271,-0.0 -0.953 27.9-124.4-137.6 161.3 32.0 76.8 65.0 35 35 A T - 0 0 86 -2,-0.3 276,-0.1 274,-0.2 274,-0.0 -0.947 33.1-139.4-105.5 115.7 30.3 77.9 61.8 36 36 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 266,-0.1 -0.182 10.1-130.5 -67.2 161.4 33.0 79.1 59.3 37 37 A T - 0 0 119 262,-0.1 2,-0.4 1,-0.0 262,-0.0 -0.855 32.8 -90.5-113.3 153.2 32.6 82.1 57.2 38 38 A K + 0 0 170 -2,-0.3 2,-0.3 260,-0.0 262,-0.2 -0.457 56.3 166.7 -67.1 118.3 33.2 82.3 53.4 39 39 A S - 0 0 55 260,-3.2 262,-0.1 -2,-0.4 263,-0.0 -0.775 40.9 -83.8-123.4 169.6 36.8 83.3 52.8 40 40 A H - 0 0 100 -2,-0.3 261,-2.2 260,-0.2 -1,-0.1 -0.257 52.2 -99.7 -67.5 163.5 39.0 83.2 49.7 41 41 A F + 0 0 21 246,-0.3 248,-2.3 259,-0.3 2,-0.2 -0.320 46.4 177.6 -80.6 169.8 40.8 80.0 48.8 42 42 A A - 0 0 2 246,-0.3 2,-0.2 -2,-0.1 249,-0.2 -0.857 32.8 -61.8-156.1-176.8 44.4 79.4 49.6 43 43 A N E -k 291 0F 59 247,-2.7 249,-1.8 -2,-0.2 2,-0.6 -0.572 51.6-112.3 -79.4 146.2 47.4 77.0 49.5 44 44 A L E > -kL 292 47F 13 3,-0.6 3,-2.1 -2,-0.2 2,-0.2 -0.704 32.8-120.5 -79.5 121.0 47.1 73.7 51.4 45 45 A K T 3 S+ 0 0 127 247,-2.2 274,-0.2 -2,-0.6 3,-0.1 -0.458 99.2 11.7 -59.3 122.6 49.6 73.7 54.3 46 46 A G T 3 S+ 0 0 78 -2,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.551 119.7 79.8 86.2 6.6 52.0 70.8 53.8 47 47 A T B < S-L 44 0F 46 -3,-2.1 -3,-0.6 32,-0.0 2,-0.1 -0.912 80.4-123.7-150.6 117.3 50.8 70.2 50.2 48 48 A K - 0 0 152 -2,-0.3 33,-0.9 -5,-0.1 2,-0.5 -0.402 34.8-140.9 -59.8 132.8 51.8 72.1 47.0 49 49 A T E -m 81 0G 19 30,-0.1 2,-0.3 31,-0.1 33,-0.2 -0.885 6.4-144.8-117.4 121.1 48.5 73.4 45.5 50 50 A R E +m 82 0G 12 31,-2.4 33,-1.9 -2,-0.5 3,-0.1 -0.570 28.4 155.6 -83.7 133.6 47.8 73.5 41.7 51 51 A G S S+ 0 0 13 1,-0.7 2,-0.2 -2,-0.3 34,-0.2 0.563 70.2 20.2-114.1 -85.9 45.7 76.2 40.1 52 52 A K S S- 0 0 101 1,-0.1 -1,-0.7 33,-0.0 9,-0.1 -0.632 79.3-125.3 -79.9 147.6 46.4 76.6 36.4 53 53 A L S S+ 0 0 1 1,-0.3 -1,-0.1 -2,-0.2 64,-0.1 0.920 105.4 25.0 -60.7 -46.9 48.1 73.6 34.8 54 54 A b S > S+ 0 0 2 22,-0.2 3,-1.0 3,-0.2 -1,-0.3 -0.833 71.3 179.1-123.2 91.8 51.0 75.6 33.4 55 55 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.714 80.3 58.6 -66.6 -24.8 51.3 78.7 35.7 56 56 A T T 3 S+ 0 0 99 19,-0.5 2,-1.1 1,-0.1 20,-0.1 0.724 86.3 87.3 -76.0 -22.5 54.3 80.1 33.8 57 57 A b S X S- 0 0 15 -3,-1.0 3,-0.8 18,-0.2 -3,-0.2 -0.668 74.1-156.7 -82.4 98.1 52.3 80.2 30.6 58 58 A L T 3 + 0 0 137 -2,-1.1 3,-0.1 1,-0.2 -2,-0.1 -0.346 67.1 13.4 -83.3 157.6 50.6 83.6 30.8 59 59 A N T 3 S+ 0 0 157 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.482 102.2 119.5 56.7 5.1 47.4 84.7 29.0 60 60 A c < - 0 0 6 -3,-0.8 2,-0.2 -6,-0.2 -1,-0.2 -0.752 56.3-141.8-100.0 145.7 46.9 81.0 28.4 61 61 A T > - 0 0 27 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.611 27.4-107.5-101.5 163.4 43.9 79.0 29.6 62 62 A D H > S+ 0 0 2 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.852 120.9 50.1 -58.4 -39.6 43.9 75.5 30.9 63 63 A L H > S+ 0 0 0 27,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.909 108.8 53.9 -63.6 -41.9 42.2 74.1 27.8 64 64 A D H >>S+ 0 0 0 26,-0.4 5,-2.5 1,-0.2 4,-0.9 0.904 111.4 45.3 -57.3 -43.2 44.8 75.9 25.7 65 65 A V H <5S+ 0 0 9 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.897 110.8 52.8 -67.3 -41.8 47.5 74.2 27.6 66 66 A A H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.827 111.9 45.7 -66.7 -31.8 45.9 70.8 27.5 67 67 A L H <5S- 0 0 1 -4,-2.1 88,-1.1 -5,-0.1 -1,-0.2 0.640 113.6-118.8 -83.9 -15.4 45.5 71.1 23.7 68 68 A G T <5 - 0 0 1 -4,-0.9 86,-3.3 -3,-0.4 -3,-0.2 0.884 39.5-169.5 78.3 40.5 49.1 72.3 23.3 69 69 A R > < - 0 0 32 -5,-2.5 3,-1.6 3,-0.2 -1,-0.1 -0.369 31.8 -94.3 -61.4 139.0 48.4 75.7 21.7 70 70 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.292 111.4 17.3 -54.6 137.3 51.4 77.6 20.3 71 71 A M T 3 S+ 0 0 112 2,-0.1 -11,-0.1 -3,-0.1 -2,-0.1 0.120 114.7 80.7 79.6 -13.7 53.0 80.1 22.7 72 72 A c < + 0 0 0 -3,-1.6 2,-0.5 -8,-0.1 -3,-0.2 -0.127 61.8 109.3-115.3 33.8 51.2 78.3 25.5 73 73 A V + 0 0 84 -5,-0.1 2,-0.2 81,-0.0 -2,-0.1 -0.942 41.6 112.2-115.8 113.6 53.5 75.3 26.0 74 74 A G - 0 0 40 -2,-0.5 2,-0.2 -17,-0.1 -2,-0.0 -0.766 63.9 -30.6-155.7-162.4 55.6 75.2 29.2 75 75 A V - 0 0 106 -2,-0.2 -19,-0.5 43,-0.1 -18,-0.2 -0.473 39.5-162.7 -74.4 133.6 56.1 73.4 32.5 76 76 A T - 0 0 17 41,-0.2 41,-0.5 -2,-0.2 -22,-0.2 -0.874 22.3-144.0-115.6 94.3 53.2 71.7 34.2 77 77 A P - 0 0 57 0, 0.0 2,-0.1 0, 0.0 41,-0.0 -0.130 14.4-109.6 -62.0 146.9 54.2 71.1 37.8 78 78 A S + 0 0 40 38,-0.1 2,-0.3 2,-0.0 38,-0.2 -0.471 40.3 175.2 -72.8 150.3 53.3 68.0 39.9 79 79 A A - 0 0 6 36,-1.9 -30,-0.1 35,-0.2 3,-0.1 -0.963 34.2-153.0-159.7 138.1 50.8 68.5 42.8 80 80 A K S S+ 0 0 126 -32,-0.5 200,-3.1 -2,-0.3 2,-0.3 0.476 89.3 44.5 -92.4 -4.0 49.0 66.3 45.3 81 81 A A E -mn 49 280G 2 -33,-0.9 -31,-2.4 198,-0.3 2,-0.3 -0.999 68.7-175.9-140.4 141.0 46.1 68.7 45.6 82 82 A S E -mn 50 281G 1 198,-2.7 200,-2.3 -2,-0.3 2,-0.5 -0.987 19.7-139.0-140.2 146.7 44.2 70.7 43.0 83 83 A I E - n 0 282G 0 -33,-1.9 2,-0.9 -2,-0.3 200,-0.2 -0.891 13.6-146.5-103.0 128.8 41.5 73.3 42.6 84 84 A L E + n 0 283G 12 198,-2.6 200,-1.6 -2,-0.5 3,-0.1 -0.831 31.8 158.5 -95.5 103.3 38.8 72.9 39.9 85 85 A H + 0 0 47 -2,-0.9 2,-0.5 -34,-0.2 -1,-0.2 0.579 60.2 56.1-103.7 -16.1 38.0 76.5 38.9 86 86 A E + 0 0 44 1,-0.1 -1,-0.2 199,-0.1 23,-0.1 -0.940 47.7 175.9-121.9 109.3 36.5 75.9 35.5 87 87 A V S S+ 0 0 62 -2,-0.5 -1,-0.1 1,-0.3 327,-0.1 0.762 94.5 29.5 -77.1 -25.4 33.6 73.5 35.2 88 88 A R S S- 0 0 86 -3,-0.1 -1,-0.3 18,-0.0 18,-0.1 -0.699 90.1-153.0-130.8 81.1 33.5 74.4 31.5 89 89 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 18,-0.1 -0.293 12.6-157.3 -58.6 131.1 37.1 75.3 30.4 90 90 A V - 0 0 57 -2,-0.0 -27,-0.6 1,-0.0 -26,-0.4 -0.684 10.0-125.6-105.9 160.3 37.2 77.7 27.5 91 91 A T - 0 0 7 -2,-0.2 145,-0.1 -28,-0.2 3,-0.1 -0.583 9.3-161.5 -93.3 166.2 39.9 78.4 24.9 92 92 A S - 0 0 51 -2,-0.2 2,-0.3 -31,-0.1 144,-0.2 0.073 64.3 -3.9-136.2 25.3 41.4 81.9 24.2 93 93 A G S S+ 0 0 1 142,-1.0 144,-0.3 2,-0.1 50,-0.1 -0.990 81.7 63.4 175.7-171.3 43.1 81.4 20.8 94 94 A d S S- 0 0 1 48,-1.0 143,-2.4 -2,-0.3 144,-0.3 -0.074 91.1 -3.2 61.1-160.2 44.1 79.3 17.9 95 95 A F S S- 0 0 3 141,-0.2 -2,-0.1 1,-0.1 149,-0.1 -0.343 80.6 -98.9 -73.6 138.2 41.7 77.5 15.5 96 96 A P - 0 0 1 0, 0.0 149,-1.8 0, 0.0 2,-0.4 -0.284 42.1-164.1 -56.0 127.2 37.9 77.6 16.1 97 97 A I B -o 245 0H 7 137,-0.6 2,-1.3 147,-0.2 137,-0.2 -0.915 25.3-137.3-115.8 140.0 36.7 74.5 17.8 98 98 A M > + 0 0 18 147,-2.1 3,-1.4 -2,-0.4 149,-0.2 -0.699 35.9 178.1 -90.0 80.6 33.1 73.2 18.0 99 99 A H G > + 0 0 7 -2,-1.3 3,-1.6 1,-0.3 5,-0.4 0.820 64.5 58.4 -58.5 -44.6 33.6 72.3 21.6 100 100 A D G 3 S+ 0 0 40 1,-0.3 634,-0.3 -3,-0.2 633,-0.3 0.410 87.5 77.6 -76.1 4.3 30.2 71.0 22.7 101 101 A R G < S+ 0 0 22 -3,-1.4 -1,-0.3 632,-0.1 2,-0.2 0.507 107.4 18.2 -90.4 -4.9 30.2 68.3 20.0 102 102 A T S < S- 0 0 5 -3,-1.6 3,-0.3 -4,-0.1 632,-0.2 -0.765 89.0 -96.9-142.6-170.3 32.6 66.2 22.1 103 103 A K S > S+ 0 0 27 631,-0.2 3,-1.6 -2,-0.2 4,-0.2 0.159 81.2 118.6 -95.9 14.8 33.9 65.8 25.7 104 104 A I G > + 0 0 0 143,-0.5 3,-2.2 -5,-0.4 -1,-0.2 0.798 59.7 66.7 -60.8 -34.3 37.0 67.9 24.9 105 105 A R G 3 S+ 0 0 18 -6,-0.4 4,-0.3 -3,-0.3 -1,-0.3 0.802 96.6 58.1 -54.8 -30.7 36.3 70.7 27.4 106 106 A Q G <> S+ 0 0 3 -3,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.524 77.6 97.9 -82.3 -6.3 36.8 68.3 30.2 107 107 A L H <> S+ 0 0 0 -3,-2.2 4,-1.8 1,-0.2 3,-0.2 0.882 83.7 45.1 -50.1 -49.5 40.3 67.4 29.2 108 108 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.847 110.7 54.9 -68.9 -29.4 42.2 69.8 31.6 109 109 A N H 4 S+ 0 0 7 -4,-0.3 4,-0.4 -3,-0.3 -2,-0.2 0.794 107.5 51.0 -68.5 -29.1 39.9 68.7 34.4 110 110 A L H >< S+ 0 0 10 -4,-1.7 3,-0.8 -3,-0.2 -1,-0.2 0.890 109.1 51.2 -70.6 -41.0 40.9 65.1 33.7 111 111 A L H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.848 101.1 60.2 -64.9 -37.4 44.6 66.0 33.8 112 112 A R T 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.653 91.7 69.0 -71.1 -13.8 44.4 67.8 37.1 113 113 A G T < S+ 0 0 2 -3,-0.8 166,-2.0 -4,-0.4 -1,-0.3 0.582 89.4 78.7 -80.1 -10.1 43.2 64.6 38.8 114 114 A Y S < S- 0 0 29 -3,-1.7 164,-0.3 164,-0.3 163,-0.2 -0.655 76.9-140.1 -91.7 156.0 46.7 63.2 38.2 115 115 A E S S+ 0 0 40 161,-1.2 -36,-1.9 -2,-0.2 2,-0.5 0.953 88.9 33.4 -77.6 -55.6 49.6 64.0 40.4 116 116 A K E +P 276 0H 99 160,-2.7 160,-2.2 -38,-0.2 2,-0.4 -0.897 68.0 178.1-107.9 129.1 52.3 64.3 37.7 117 117 A I E +P 275 0H 6 -41,-0.5 2,-0.3 -2,-0.5 -41,-0.2 -0.997 5.0 167.2-129.3 130.1 51.5 65.5 34.2 118 118 A R E -P 274 0H 91 156,-2.3 156,-2.9 -2,-0.4 2,-0.5 -0.998 32.9-126.6-138.8 144.6 54.0 65.9 31.4 119 119 A L E -P 273 0H 42 -2,-0.3 154,-0.2 154,-0.2 -43,-0.0 -0.794 40.6-108.6 -88.7 131.8 53.6 66.5 27.7 120 120 A S - 0 0 6 152,-2.9 -1,-0.1 -2,-0.5 4,-0.1 -0.175 16.0-147.1 -57.0 148.4 55.6 63.9 25.7 121 121 A T S S+ 0 0 117 150,-0.1 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