==== 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 4BH2 . 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) . 24982.0 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 . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 18.9 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 1 2 1 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 0 202 0, 0.0 353,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.4 -9.4 38.5 -66.4 2 0 A P - 0 0 65 0, 0.0 464,-0.1 0, 0.0 466,-0.1 -0.253 360.0-106.2 -69.7 151.1 -6.4 40.5 -65.4 3 1 A D - 0 0 10 464,-0.3 462,-2.5 462,-0.1 2,-0.3 -0.348 39.9-169.7 -68.1 147.2 -4.0 39.3 -62.6 4 2 A Q E -AB 352 464A 55 348,-2.4 348,-2.4 460,-0.2 2,-0.4 -0.992 19.9-159.4-140.1 155.7 -4.1 41.1 -59.2 5 3 A I E -AB 351 463A 0 458,-1.7 458,-2.8 -2,-0.3 2,-0.3 -0.995 18.4-165.4-126.0 138.9 -2.2 41.3 -56.0 6 4 A a E -AB 350 462A 11 344,-2.9 344,-2.2 -2,-0.4 2,-0.4 -0.919 15.1-137.2-127.4 147.0 -3.8 42.6 -52.8 7 5 A I E +A 349 0A 2 454,-2.3 2,-0.3 -2,-0.3 342,-0.2 -0.858 40.2 143.7-102.6 138.0 -2.6 43.8 -49.4 8 6 A G E -A 348 0A 0 340,-2.3 340,-2.1 -2,-0.4 2,-0.3 -0.874 34.6-117.1-157.9-170.7 -4.5 42.6 -46.3 9 7 A Y E -A 347 0A 7 328,-0.3 330,-3.3 -2,-0.3 338,-0.2 -0.907 35.4 -81.6-143.9 162.6 -4.4 41.5 -42.7 10 8 A H B +e 339 0B 28 336,-2.7 2,-0.3 -2,-0.3 330,-0.2 -0.356 37.9 177.6 -70.7 140.2 -5.2 38.6 -40.4 11 9 A A + 0 0 5 328,-1.5 2,-0.2 331,-0.3 331,-0.1 -0.930 6.7 166.7-130.3 158.3 -8.7 37.8 -39.1 12 10 A N - 0 0 39 -2,-0.3 328,-0.1 310,-0.2 326,-0.1 -0.831 50.1 -80.2-151.8-166.1 -9.9 34.8 -37.0 13 11 A N S S+ 0 0 149 -2,-0.2 2,-0.2 16,-0.1 311,-0.1 0.177 73.3 135.3 -93.0 17.0 -12.7 33.5 -34.8 14 12 A S - 0 0 19 1,-0.1 -2,-0.2 15,-0.1 16,-0.1 -0.459 32.2-177.9 -69.5 132.3 -12.0 35.5 -31.7 15 13 A T + 0 0 98 -2,-0.2 -1,-0.1 308,-0.1 14,-0.1 0.286 40.8 131.0-105.1 3.8 -14.9 37.2 -29.9 16 14 A E - 0 0 103 12,-0.3 12,-2.3 11,-0.1 2,-0.3 -0.348 42.1-157.9 -60.0 137.9 -12.6 38.8 -27.3 17 15 A Q E -F 27 0C 75 10,-0.2 2,-0.3 12,-0.0 10,-0.2 -0.899 13.3-175.7-121.2 146.5 -13.3 42.6 -26.9 18 16 A V E -F 26 0C 0 8,-2.4 8,-3.2 -2,-0.3 2,-0.4 -0.894 21.1-125.4-129.2 166.7 -11.3 45.5 -25.6 19 17 A D - 0 0 48 295,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.883 20.4-165.5-108.8 144.3 -12.0 49.2 -25.0 20 18 A T - 0 0 5 3,-3.5 3,-0.3 -2,-0.4 407,-0.2 -0.796 38.5-101.9-117.0 169.6 -9.9 52.0 -26.4 21 19 A I S S+ 0 0 83 405,-1.6 406,-0.1 -2,-0.3 3,-0.1 0.844 123.3 31.0 -60.9 -31.4 -9.9 55.7 -25.4 22 20 A M S S+ 0 0 157 404,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.593 125.8 34.4-101.5 -10.2 -12.1 56.6 -28.4 23 21 A E - 0 0 89 -3,-0.3 -3,-3.5 403,-0.1 3,-0.3 -0.988 62.9-147.4-153.7 132.3 -14.2 53.4 -28.8 24 22 A K S S+ 0 0 160 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.605 74.8 21.3 -96.1 157.6 -15.7 50.7 -26.6 25 23 A N + 0 0 104 -2,-0.2 2,-0.6 1,-0.2 -6,-0.2 0.884 69.9 173.8 58.0 49.7 -16.2 47.0 -27.4 26 24 A V E -F 18 0C 5 -8,-3.2 -8,-2.4 -3,-0.3 2,-0.4 -0.805 26.8-137.2 -89.1 117.3 -13.7 46.5 -30.1 27 25 A T E -F 17 0C 6 -2,-0.6 294,-2.9 294,-0.2 2,-0.3 -0.618 28.4-174.9 -76.4 130.4 -13.4 42.9 -31.1 28 26 A V B -G 320 0D 0 -12,-2.3 -12,-0.3 -2,-0.4 292,-0.2 -0.827 35.8-121.4-126.3 162.4 -9.7 41.9 -31.6 29 27 A T S S+ 0 0 5 290,-1.9 2,-0.3 1,-0.3 291,-0.1 0.740 97.5 6.2 -77.0 -25.1 -7.8 38.7 -32.8 30 28 A H + 0 0 108 289,-0.2 288,-2.7 -16,-0.1 287,-2.6 -0.933 67.8 177.8-159.9 136.2 -5.9 38.3 -29.5 31 29 A A E -H 316 0E 20 -2,-0.3 2,-0.4 285,-0.2 285,-0.2 -0.897 13.3-149.2-135.3 162.7 -6.0 40.1 -26.2 32 30 A Q E -H 315 0E 72 283,-2.9 283,-3.3 -2,-0.3 2,-0.4 -0.976 10.5-139.7-142.8 128.3 -4.2 39.8 -22.8 33 31 A D E -H 314 0E 50 -2,-0.4 281,-0.2 281,-0.3 -2,-0.0 -0.670 12.7-175.3 -86.5 132.6 -5.5 40.6 -19.3 34 32 A I + 0 0 0 279,-2.9 259,-1.2 -2,-0.4 2,-0.6 0.260 56.7 96.6-110.5 10.5 -3.1 42.3 -16.8 35 33 A L E -i 293 0F 6 278,-0.4 2,-0.4 257,-0.1 259,-0.2 -0.896 67.8-140.7-101.4 119.7 -5.3 42.2 -13.8 36 34 A E E +i 294 0F 37 257,-3.0 259,-1.5 -2,-0.6 260,-0.3 -0.671 31.9 160.9 -76.5 126.9 -4.8 39.3 -11.3 37 35 A K + 0 0 89 -2,-0.4 2,-0.4 257,-0.2 -1,-0.1 0.377 44.2 92.9-122.8 -0.9 -8.1 38.0 -10.0 38 36 A K + 0 0 166 2,-0.0 2,-0.3 250,-0.0 250,-0.3 -0.787 41.3 172.3-108.7 139.4 -7.1 34.6 -8.7 39 37 A H - 0 0 81 -2,-0.4 248,-0.2 248,-0.1 246,-0.1 -0.906 36.2-124.7-133.3 164.3 -6.0 33.4 -5.3 40 38 A N - 0 0 73 246,-2.0 245,-0.1 -2,-0.3 247,-0.1 0.436 39.6-123.3 -92.6 -2.6 -5.4 29.8 -3.9 41 39 A G S S+ 0 0 36 245,-0.2 2,-0.3 1,-0.2 244,-0.2 0.632 74.3 102.1 75.8 16.8 -7.8 30.1 -0.9 42 40 A K S S- 0 0 97 244,-0.1 2,-0.6 229,-0.1 244,-0.5 -0.888 73.6-117.5-135.7 157.4 -5.1 29.3 1.6 43 41 A L E -k 273 0G 0 229,-1.1 231,-2.3 -2,-0.3 233,-0.4 -0.873 46.6-178.4 -93.3 122.1 -2.7 30.7 4.2 44 42 A b E - 0 0 0 -2,-0.6 233,-0.2 229,-0.2 2,-0.1 -0.626 31.7 -86.2-119.4 170.4 0.9 30.1 3.1 45 43 A D E -k 277 0G 29 231,-2.7 233,-1.7 -2,-0.2 2,-0.7 -0.413 40.7-128.1 -65.7 153.3 4.5 30.5 4.1 46 44 A L E > S-kL 278 49G 12 3,-2.8 3,-1.8 231,-0.2 233,-0.2 -0.891 80.8 -21.7-113.1 97.1 6.0 33.9 3.1 47 45 A D T 3 S- 0 0 116 231,-1.7 -1,-0.1 -2,-0.7 232,-0.1 0.810 131.1 -55.5 57.2 51.6 9.3 33.5 1.2 48 46 A G T 3 S+ 0 0 45 230,-0.1 2,-0.4 228,-0.1 -1,-0.4 -0.317 112.5 115.4-121.2 69.0 9.2 30.8 2.7 49 47 A V B < -L 46 0G 44 -3,-1.8 -3,-2.8 -5,-0.1 30,-0.2 -0.866 62.4-117.2-100.5 131.4 8.8 31.2 6.4 50 48 A K - 0 0 101 -2,-0.4 29,-1.5 -5,-0.3 30,-0.3 -0.226 25.9-117.2 -66.3 150.0 5.6 29.9 8.0 51 49 A P - 0 0 2 0, 0.0 2,-0.8 0, 0.0 30,-0.2 -0.541 23.1-113.4 -79.1 158.1 3.2 32.2 9.8 52 50 A L E -m 81 0H 9 28,-2.3 30,-2.7 56,-0.2 2,-0.6 -0.858 35.4-163.2 -86.3 110.0 2.3 31.9 13.5 53 51 A I E -m 82 0H 48 -2,-0.8 30,-0.2 28,-0.2 28,-0.1 -0.888 10.1-168.9-103.0 118.3 -1.3 30.9 13.4 54 52 A L > - 0 0 10 28,-2.5 3,-2.6 -2,-0.6 2,-0.3 0.406 10.5-165.3 -94.5 2.6 -3.1 31.4 16.7 55 53 A R T 3 S- 0 0 132 1,-0.3 29,-0.5 27,-0.2 -1,-0.2 -0.305 75.8 -10.7 54.0-108.5 -6.3 29.5 16.1 56 54 A D T 3 S+ 0 0 69 -2,-0.3 33,-2.3 31,-0.1 2,-0.3 0.169 118.2 93.4-108.2 18.4 -8.7 30.7 18.9 57 55 A c B < -o 89 0I 8 -3,-2.6 27,-0.3 31,-0.1 33,-0.2 -0.817 66.4-134.1-112.9 146.9 -6.1 32.5 21.0 58 56 A S > - 0 0 4 31,-1.8 4,-2.8 -2,-0.3 5,-0.2 -0.566 33.4-105.2 -87.8 164.5 -5.1 36.1 21.1 59 57 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.917 123.2 49.6 -53.2 -46.0 -1.4 37.2 21.1 60 58 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 111.4 46.8 -61.6 -46.8 -1.8 38.1 24.8 61 59 A G H >>S+ 0 0 0 28,-0.2 5,-2.6 2,-0.2 4,-1.8 0.913 114.0 49.3 -61.1 -43.4 -3.4 34.8 25.8 62 60 A W H <5S+ 0 0 33 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.954 115.7 42.0 -60.5 -51.6 -0.7 33.0 23.8 63 61 A L H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 118.3 44.2 -63.2 -45.9 2.2 34.9 25.5 64 62 A L H <5S- 0 0 0 -4,-2.8 84,-2.3 -5,-0.2 85,-0.4 0.744 113.2-115.1 -73.5 -24.6 0.7 34.8 29.0 65 63 A G T <5 - 0 0 13 -4,-1.8 82,-2.3 -5,-0.2 -3,-0.2 0.856 31.2-161.0 88.1 41.9 -0.2 31.1 28.8 66 64 A N > < - 0 0 5 -5,-2.6 3,-1.3 80,-0.2 -1,-0.2 -0.385 13.6-142.4 -50.0 119.5 -4.0 31.4 29.0 67 65 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 73,-0.1 0.732 97.6 63.2 -66.4 -22.5 -4.9 27.8 30.1 68 66 A M T 3 S+ 0 0 80 71,-0.1 3,-0.1 22,-0.1 2,-0.1 0.705 93.9 77.7 -73.6 -22.8 -8.0 27.8 27.9 69 67 A c S < S- 0 0 18 -3,-1.3 3,-0.1 1,-0.2 -14,-0.1 -0.328 101.0 -79.9 -74.4 169.3 -5.8 28.2 24.8 70 68 A D - 0 0 98 1,-0.1 -1,-0.2 -2,-0.1 3,-0.1 -0.255 59.2 -79.1 -69.4 158.4 -3.9 25.3 23.4 71 69 A E - 0 0 106 1,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.273 57.3 -96.9 -57.0 140.7 -0.6 24.0 24.9 72 70 A F - 0 0 64 -3,-0.1 2,-0.4 -10,-0.0 -1,-0.1 -0.494 42.7-169.7 -66.3 115.4 2.4 26.1 23.9 73 71 A I - 0 0 133 -2,-0.5 2,-0.3 -3,-0.1 -3,-0.0 -0.901 28.7-108.5-104.2 137.2 4.2 24.5 21.0 74 72 A N + 0 0 95 -2,-0.4 40,-0.1 2,-0.0 -2,-0.0 -0.464 36.1 175.2 -67.6 126.6 7.6 25.8 20.0 75 73 A V - 0 0 47 -2,-0.3 3,-0.1 38,-0.1 -23,-0.0 -0.937 12.6-165.0-127.3 107.1 7.8 27.8 16.8 76 74 A P + 0 0 59 0, 0.0 37,-1.6 0, 0.0 2,-0.3 0.694 67.7 3.2 -70.0 -19.6 11.3 29.2 16.5 77 75 A E - 0 0 89 35,-0.2 2,-0.3 -26,-0.1 34,-0.2 -0.988 59.4-178.8-159.4 158.6 10.5 31.8 13.7 78 76 A W B -P 110 0J 3 32,-2.1 32,-2.0 -2,-0.3 -28,-0.1 -0.984 25.9-143.6-162.3 158.8 7.6 33.3 11.7 79 77 A S S S- 0 0 5 -29,-1.5 2,-0.3 1,-0.3 186,-0.2 0.772 83.2 -8.8 -95.3 -34.1 6.9 35.8 8.9 80 78 A Y - 0 0 0 -30,-0.3 -28,-2.3 184,-0.1 2,-0.4 -0.966 67.6-112.3-158.1 163.6 3.5 37.1 10.1 81 79 A I E -mn 52 266H 0 184,-1.4 186,-3.2 -2,-0.3 2,-0.6 -0.895 19.1-154.8-108.1 133.5 0.8 36.4 12.7 82 80 A V E +mn 53 267H 4 -30,-2.7 -28,-2.5 -2,-0.4 2,-0.4 -0.933 18.2 173.9-107.7 119.7 -2.7 35.2 11.9 83 81 A E E - n 0 268H 4 184,-2.7 186,-2.2 -2,-0.6 2,-0.1 -0.916 32.4-117.5-117.9 146.9 -5.4 36.0 14.4 84 82 A K - 0 0 35 -29,-0.5 186,-0.1 -2,-0.4 -28,-0.0 -0.446 36.6-104.8 -73.0 160.6 -9.1 35.3 14.0 85 83 A A S S+ 0 0 46 1,-0.3 -1,-0.1 -2,-0.1 185,-0.0 0.927 112.2 13.9 -52.4 -49.8 -11.3 38.4 14.0 86 84 A N S S- 0 0 145 -28,-0.0 -1,-0.3 -3,-0.0 2,-0.1 -0.752 80.4-154.6-131.8 83.7 -12.5 37.8 17.6 87 85 A P - 0 0 27 0, 0.0 -30,-0.1 0, 0.0 -31,-0.1 -0.399 8.9-146.8 -60.7 129.1 -10.4 35.1 19.4 88 86 A V S S+ 0 0 109 1,-0.2 2,-0.7 -2,-0.1 -31,-0.1 0.829 86.6 58.9 -67.6 -32.0 -12.6 33.5 22.1 89 87 A N B +o 57 0I 25 -33,-2.3 -31,-1.8 1,-0.1 -28,-0.2 -0.884 63.7 121.0-105.3 111.3 -9.6 33.0 24.4 90 88 A D S S+ 0 0 67 -2,-0.7 2,-0.7 -33,-0.2 -24,-0.2 0.383 80.2 0.1-128.5 -95.1 -7.8 36.3 25.3 91 89 A L - 0 0 27 1,-0.2 4,-0.1 4,-0.1 -1,-0.1 -0.921 58.7-169.6-105.3 108.5 -7.5 37.2 29.0 92 90 A d S S+ 0 0 2 -2,-0.7 -1,-0.2 1,-0.1 -31,-0.0 0.908 85.7 48.9 -66.1 -42.9 -9.2 34.5 31.0 93 91 A Y S S- 0 0 12 -3,-0.1 135,-0.2 44,-0.1 -1,-0.1 -0.898 109.9-113.0 -90.4 122.5 -9.0 36.7 34.1 94 92 A P + 0 0 10 0, 0.0 134,-2.2 0, 0.0 2,-0.3 -0.106 66.3 87.1 -63.0 153.8 -10.3 40.1 32.9 95 93 A G E -q 228 0K 22 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.972 64.0 -64.1 161.3-144.0 -8.1 43.1 32.7 96 94 A D E -q 229 0K 106 132,-1.8 134,-2.7 -2,-0.3 2,-0.5 -0.948 19.5-139.6-145.5 159.1 -5.8 45.0 30.3 97 95 A F E > -q 230 0K 21 -2,-0.3 3,-1.0 132,-0.2 134,-0.2 -0.982 28.7-128.0-126.9 117.0 -2.5 44.7 28.5 98 96 A N T 3 S- 0 0 61 132,-2.9 5,-0.1 -2,-0.5 134,-0.0 -0.427 86.8 -4.6 -71.7 135.7 -0.2 47.8 28.4 99 97 A D T 3> S+ 0 0 95 -2,-0.2 4,-1.7 1,-0.1 -1,-0.3 0.896 84.2 160.7 47.5 48.5 1.1 49.0 25.0 100 98 A Y H <> + 0 0 31 -3,-1.0 4,-2.5 1,-0.2 5,-0.2 0.900 64.6 50.6 -67.4 -43.2 -0.6 45.9 23.5 101 99 A E H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 110.4 49.2 -67.3 -40.9 -0.7 47.0 19.9 102 100 A E H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 110.9 51.5 -64.0 -36.7 3.0 48.0 19.8 103 101 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.934 109.5 48.8 -65.0 -45.7 3.9 44.6 21.3 104 102 A K H < S+ 0 0 31 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.871 111.7 50.3 -61.4 -36.9 1.9 42.8 18.7 105 103 A H H >< S+ 0 0 55 -4,-2.1 3,-0.9 2,-0.2 159,-0.5 0.913 109.3 50.5 -66.9 -43.6 3.6 44.9 16.0 106 104 A L H 3< S+ 0 0 49 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.878 115.3 44.0 -57.7 -39.3 7.1 44.1 17.5 107 105 A L T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.475 84.4 98.8 -86.5 -2.1 6.2 40.4 17.4 108 106 A S S < S+ 0 0 0 -3,-0.9 2,-0.4 -4,-0.5 -56,-0.2 0.895 95.6 20.9 -56.4 -47.4 4.6 40.4 13.9 109 107 A R S S+ 0 0 74 -4,-0.4 2,-0.4 -3,-0.4 -1,-0.2 -0.994 76.6 179.7-125.1 127.5 7.8 39.0 12.3 110 108 A I B -P 78 0J 2 -32,-2.0 -32,-2.1 -2,-0.4 150,-0.2 -0.992 23.5-167.5-135.2 131.0 10.5 37.2 14.4 111 109 A N S S+ 0 0 71 148,-2.1 2,-0.3 -2,-0.4 149,-0.2 0.814 85.1 13.2 -84.5 -37.3 13.8 35.6 13.3 112 110 A H E +R 259 0K 53 147,-1.5 147,-2.0 -35,-0.1 2,-0.4 -0.960 64.2 174.6-145.9 130.6 14.3 33.7 16.6 113 111 A F E +R 258 0K 1 -37,-1.6 2,-0.3 -2,-0.3 145,-0.2 -0.994 6.1 165.3-137.7 124.5 11.9 32.9 19.5 114 112 A E E -R 257 0K 75 143,-1.7 143,-3.3 -2,-0.4 2,-0.4 -0.953 26.4-141.7-147.0 119.9 12.6 30.7 22.5 115 113 A K E +R 256 0K 55 -2,-0.3 2,-0.3 141,-0.2 141,-0.2 -0.670 28.4 177.2 -80.6 130.1 10.7 30.5 25.8 116 114 A I E -R 255 0K 29 139,-2.8 139,-2.4 -2,-0.4 2,-0.6 -0.951 34.1-112.7-132.5 155.0 12.9 30.1 28.9 117 115 A Q E +R 254 0K 97 -2,-0.3 137,-0.3 137,-0.2 136,-0.0 -0.787 36.4 167.2 -84.3 121.4 12.3 29.9 32.6 118 116 A I S S+ 0 0 13 135,-2.5 136,-0.2 -2,-0.6 -1,-0.2 0.731 72.3 25.4-105.8 -32.6 13.8 33.0 34.3 119 117 A I S S- 0 0 8 134,-1.7 -1,-0.3 47,-0.1 5,-0.1 -0.898 85.8-132.6-131.9 104.2 12.4 32.7 37.9 120 118 A P > - 0 0 46 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.288 8.6-134.6 -57.8 136.9 11.4 29.2 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0.896 112.4 48.1 -68.2 -41.5 7.5 34.0 -59.9 473 148 B f H > S+ 0 0 3 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.885 111.2 51.0 -64.3 -41.0 6.4 37.6 -60.8 474 149 B M H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.3 0.894 108.3 52.3 -63.1 -40.9 4.1 37.6 -57.8 475 150 B E H X S+ 0 0 82 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.884 103.8 57.0 -61.3 -39.4 7.0 36.4 -55.6 476 151 B S H X>S+ 0 0 20 -4,-1.8 5,-3.1 1,-0.2 6,-1.1 0.820 105.8 51.3 -63.5 -30.6 9.2 39.3 -56.8 477 152 B V H ><5S+ 0 0 1 -4,-1.2 3,-0.5 -3,-0.3 -1,-0.2 0.904 111.9 45.4 -71.0 -43.6 6.5 41.8 -55.7 478 153 B R H 3<5S+ 0 0 40 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.840 113.7 51.5 -64.5 -35.3 6.4 40.2 -52.2 479 154 B N H 3<5S- 0 0 103 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.616 111.4-117.3 -75.8 -16.4 10.3 40.1 -52.1 480 155 B G T <<5S+ 0 0 46 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.754 90.3 109.0 76.6 27.1 10.7 43.8 -53.0 481 156 B T < + 0 0 95 -5,-3.1 -4,-0.2 -6,-0.2 -5,-0.1 0.205 35.7 145.7-119.2 10.8 12.5 42.5 -56.2 482 157 B Y - 0 0 19 -6,-1.1 2,-1.0 -5,-0.1 -9,-0.1 -0.310 42.4-143.9 -57.4 122.7 9.8 43.5 -58.8 483 158 B D >> - 0 0 76 1,-0.2 3,-0.9 -2,-0.1 4,-0.6 -0.784 17.2-175.2 -94.6 96.9 11.5 44.5 -62.0 484 159 B Y H >> S+ 0 0 47 -2,-1.0 3,-1.4 1,-0.2 4,-0.9 0.903 78.0 56.4 -56.4 -49.5 9.4 47.3 -63.5 485 160 B P H 34 S+ 0 0 96 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.627 96.6 66.2 -68.3 -10.3 11.3 47.8 -66.8 486 161 B Q H <4 S+ 0 0 131 -3,-0.9 4,-0.2 1,-0.2 -2,-0.2 0.798 112.4 31.2 -73.4 -30.6 10.8 44.1 -67.7 487 162 B Y H