==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-FEB-13 3ZNL . COMPND 2 MOLECULE: HAEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.XIONG,A.TUZIKOV,P.COOMBS,S.R.MARTIN,P.A.WALKER,S.J.GAMBLIN . 1452 6 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 930 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 273 18.8 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 30 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 132 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 19.6 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 3 0 3 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 9 12 6 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 . 15 12 15 6 3 9 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 . 9 12 3 3 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 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 57 0, 0.0 461,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.2 10.1 55.4 -7.4 2 2 A Q E -AB 349 461A 48 347,-1.9 347,-2.0 459,-0.3 2,-0.4 -0.998 360.0-151.7-153.7 151.2 11.9 55.2 -4.0 3 3 A I E -AB 348 460A 0 457,-2.3 457,-3.0 -2,-0.3 2,-0.3 -0.985 20.1-164.5-122.6 137.1 12.0 53.4 -0.7 4 4 A a E -AB 347 459A 6 343,-2.5 343,-1.8 -2,-0.4 2,-0.4 -0.859 14.4-139.1-120.6 154.1 13.3 55.1 2.5 5 5 A I E +A 346 0A 1 453,-2.2 2,-0.3 -2,-0.3 341,-0.2 -0.938 39.4 144.4-109.9 137.1 14.4 53.9 5.9 6 6 A G E -A 345 0A 0 339,-2.3 339,-2.1 -2,-0.4 2,-0.3 -0.911 34.1-116.4-160.3-176.8 13.4 55.9 8.9 7 7 A Y E -A 344 0A 2 327,-0.3 329,-3.2 -2,-0.3 337,-0.2 -0.833 34.3 -81.0-137.8 165.6 12.3 56.0 12.5 8 8 A H B +e 336 0B 18 335,-2.3 2,-0.3 -2,-0.3 329,-0.2 -0.306 37.9 175.6 -71.6 143.1 9.4 56.9 14.8 9 9 A A + 0 0 2 327,-1.4 2,-0.3 330,-0.3 330,-0.1 -0.937 6.4 167.8-135.3 163.1 8.6 60.4 16.0 10 10 A N - 0 0 30 -2,-0.3 327,-0.1 2,-0.2 310,-0.1 -0.923 50.0 -84.6-159.7-176.3 5.7 61.7 18.1 11 11 A N S S+ 0 0 148 -2,-0.3 2,-0.1 326,-0.1 16,-0.0 0.146 76.1 132.3 -88.5 19.7 4.3 64.6 20.2 12 12 A S - 0 0 26 1,-0.1 -2,-0.2 15,-0.0 16,-0.1 -0.425 36.1-175.2 -72.9 144.6 6.1 63.5 23.4 13 13 A T + 0 0 119 -2,-0.1 2,-0.1 14,-0.1 -1,-0.1 0.219 38.6 132.6-119.7 7.9 8.0 66.1 25.4 14 14 A E - 0 0 86 12,-0.4 12,-3.1 13,-0.1 2,-0.3 -0.416 39.7-160.2 -63.4 134.0 9.5 63.7 28.0 15 15 A Q E -F 25 0C 71 10,-0.3 2,-0.3 -2,-0.1 10,-0.2 -0.837 11.2-168.3-118.6 153.7 13.2 64.2 28.5 16 16 A V E -F 24 0C 1 8,-1.9 8,-2.6 -2,-0.3 2,-0.3 -0.956 18.2-125.5-135.4 155.9 16.1 62.1 29.9 17 17 A D + 0 0 43 295,-0.3 2,-0.2 -2,-0.3 5,-0.2 -0.744 24.3 178.9-100.1 150.3 19.6 62.9 30.9 18 18 A T - 0 0 5 3,-2.5 406,-0.2 -2,-0.3 405,-0.1 -0.791 44.6 -95.7-133.0 178.8 22.8 61.1 29.6 19 19 A I S S+ 0 0 3 404,-0.7 1329,-0.3 -2,-0.2 1330,-0.1 0.952 122.1 30.2 -63.0 -50.2 26.5 61.6 30.4 20 20 A M S S+ 0 0 20 1,-0.2 2,-0.3 1324,-0.1 1324,-0.3 0.647 127.1 32.7 -87.4 -18.6 27.2 63.9 27.4 21 21 A E - 0 0 82 1323,-0.1 -3,-2.5 1324,-0.1 2,-0.3 -0.997 62.6-157.3-146.7 137.7 23.8 65.6 27.0 22 22 A K S S+ 0 0 125 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.773 72.7 23.9-111.9 157.1 21.0 66.6 29.3 23 23 A N S S+ 0 0 96 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.899 72.9 175.4 57.1 46.8 17.3 67.2 28.7 24 24 A V E -F 16 0C 2 -8,-2.6 -8,-1.9 -3,-0.3 2,-0.4 -0.757 28.3-131.2 -84.0 117.7 17.2 65.0 25.6 25 25 A T E -F 15 0C 47 -2,-0.6 294,-2.7 -10,-0.2 2,-0.3 -0.561 31.2-174.3 -74.4 126.4 13.6 64.7 24.3 26 26 A V B -G 318 0D 0 -12,-3.1 -12,-0.4 -2,-0.4 292,-0.2 -0.797 34.6-127.6-121.9 162.0 12.5 61.1 23.7 27 27 A T S S+ 0 0 4 290,-2.3 2,-0.3 -2,-0.3 -13,-0.1 0.824 95.0 14.7 -77.1 -34.3 9.5 59.4 22.3 28 28 A H + 0 0 77 289,-0.2 288,-2.3 -16,-0.1 287,-1.9 -0.997 67.8 166.8-142.8 146.8 9.0 57.1 25.3 29 29 A A E -H 314 0E 20 -2,-0.3 2,-0.3 285,-0.3 285,-0.2 -0.904 24.0-137.4-147.9 172.1 10.3 57.0 28.8 30 30 A Q E -H 313 0E 84 283,-2.3 283,-2.5 -2,-0.3 2,-0.3 -0.873 11.0-148.0-143.3 108.8 9.7 55.4 32.2 31 31 A D E +H 312 0E 49 -2,-0.3 281,-0.2 281,-0.2 -2,-0.0 -0.577 17.4 177.3 -68.7 131.7 9.8 57.2 35.5 32 32 A I + 0 0 2 279,-2.4 259,-1.5 -2,-0.3 2,-0.6 0.300 50.8 91.4-119.6 4.9 11.1 54.8 38.2 33 33 A L E -i 291 0F 0 278,-0.6 2,-0.6 257,-0.1 259,-0.3 -0.911 66.0-144.3-108.8 119.5 11.1 57.2 41.2 34 34 A E E +i 292 0F 24 257,-3.2 259,-1.5 -2,-0.6 260,-0.2 -0.737 23.7 172.6 -81.6 120.8 8.0 57.4 43.4 35 35 A K + 0 0 84 -2,-0.6 2,-0.3 257,-0.2 -1,-0.1 0.517 47.3 71.5-109.0 -8.4 7.7 61.1 44.5 36 36 A T + 0 0 96 250,-0.0 2,-0.3 2,-0.0 250,-0.2 -0.743 44.3 176.2-118.9 158.6 4.4 61.2 46.3 37 37 A H - 0 0 74 -2,-0.3 248,-0.2 248,-0.1 246,-0.0 -0.949 40.3-115.4-147.8 164.0 2.7 60.1 49.6 38 38 A N - 0 0 72 246,-1.4 3,-0.1 -2,-0.3 245,-0.1 0.613 46.4-125.6 -79.9 -13.4 -0.8 60.5 51.2 39 39 A G S S+ 0 0 28 245,-0.3 2,-0.3 1,-0.3 244,-0.2 0.647 70.0 111.1 83.5 18.4 0.7 62.5 54.1 40 40 A K - 0 0 104 244,-0.1 2,-0.4 229,-0.1 240,-0.3 -0.899 69.7-121.6-131.2 150.7 -0.8 60.3 56.8 41 41 A L + 0 0 1 -2,-0.3 231,-2.5 242,-0.1 232,-0.5 -0.778 50.2 177.8 -88.4 135.1 0.1 57.7 59.4 42 42 A b - 0 0 0 -2,-0.4 233,-0.2 229,-0.2 2,-0.1 -0.905 35.0 -81.6-147.3 159.7 -1.8 54.5 58.6 43 43 A D E -k 275 0G 28 231,-2.8 233,-2.7 -2,-0.3 2,-0.7 -0.413 42.8-136.9 -63.6 134.7 -2.6 50.9 59.3 44 44 A L E > S-kL 276 47G 23 3,-2.4 3,-1.8 1,-0.2 233,-0.2 -0.884 80.1 -20.5-101.4 114.2 0.0 48.5 57.9 45 45 A D T 3 S- 0 0 115 231,-3.0 -1,-0.2 -2,-0.7 232,-0.1 0.832 128.2 -54.3 59.8 33.4 -1.5 45.5 56.1 46 46 A G T 3 S+ 0 0 45 230,-0.4 2,-0.5 -3,-0.2 -1,-0.3 -0.005 115.2 118.1 90.4 -27.0 -4.7 46.1 58.1 47 47 A V B < -L 44 0G 52 -3,-1.8 -3,-2.4 -4,-0.1 -1,-0.2 -0.632 63.8-128.3 -84.9 120.9 -2.8 46.1 61.5 48 48 A K - 0 0 107 -2,-0.5 29,-1.4 -5,-0.2 2,-0.2 -0.301 17.8-118.6 -70.8 143.4 -3.0 49.4 63.3 49 49 A P - 0 0 3 0, 0.0 2,-1.0 0, 0.0 30,-0.2 -0.528 25.2-113.7 -74.6 149.3 0.1 51.2 64.6 50 50 A L E -m 79 0H 14 28,-2.5 30,-2.8 -2,-0.2 2,-0.8 -0.757 35.1-165.2 -79.7 101.8 0.4 51.9 68.4 51 51 A I E -m 80 0H 26 -2,-1.0 30,-0.1 28,-0.2 3,-0.1 -0.830 12.1-172.6 -95.1 106.5 0.2 55.7 68.4 52 52 A L > - 0 0 0 28,-1.9 3,-2.4 -2,-0.8 2,-0.3 0.584 17.1-167.7 -72.9 -10.8 1.5 56.9 71.8 53 53 A R T 3 S- 0 0 129 27,-0.4 29,-0.6 1,-0.3 -1,-0.2 -0.426 72.0 -11.1 57.3-114.9 0.4 60.5 70.9 54 54 A D T 3 S+ 0 0 65 -2,-0.3 33,-1.7 -3,-0.1 -1,-0.3 0.497 118.8 94.2 -94.3 -5.6 2.0 62.7 73.6 55 55 A c B < -o 87 0I 4 -3,-2.4 27,-0.3 31,-0.1 33,-0.2 -0.573 67.4-139.6 -80.7 149.7 3.1 59.7 75.9 56 56 A S > - 0 0 2 31,-1.7 4,-1.9 -2,-0.2 5,-0.1 -0.395 29.4-100.7 -94.6-179.5 6.6 58.2 75.5 57 57 A V H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.902 124.2 50.4 -69.2 -42.3 7.6 54.6 75.7 58 58 A A H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.939 110.2 49.3 -59.3 -50.2 8.7 54.9 79.3 59 59 A G H >>S+ 0 0 0 28,-0.2 5,-3.3 2,-0.2 4,-0.9 0.894 113.8 46.5 -57.9 -44.0 5.4 56.6 80.3 60 60 A W H <5S+ 0 0 2 -4,-1.9 3,-0.4 3,-0.2 -2,-0.2 0.964 117.3 42.0 -61.3 -53.1 3.4 53.9 78.6 61 61 A L H <5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.856 116.1 46.8 -69.4 -38.4 5.4 51.0 80.1 62 62 A L H <5S- 0 0 0 -4,-3.2 84,-1.6 -5,-0.2 85,-0.4 0.662 115.3-117.6 -74.6 -15.5 5.7 52.5 83.6 63 63 A G T <5 - 0 0 8 -4,-0.9 82,-3.6 -3,-0.4 -3,-0.2 0.913 33.8-162.9 78.3 45.3 2.0 53.2 83.5 64 64 A N > < - 0 0 2 -5,-3.3 3,-2.5 80,-0.3 -1,-0.1 -0.400 25.6-122.9 -55.1 132.6 2.1 57.0 83.8 65 65 A P G > S+ 0 0 3 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.710 111.8 58.6 -59.9 -23.2 -1.4 58.1 84.8 66 66 A M G 3 S+ 0 0 100 1,-0.2 3,-0.4 2,-0.1 -11,-0.1 0.618 97.5 64.3 -75.4 -15.5 -1.7 60.4 81.7 67 67 A c G X + 0 0 5 -3,-2.5 3,-1.0 -8,-0.2 -1,-0.2 -0.187 60.4 127.7-101.4 38.4 -1.1 57.3 79.5 68 68 A D G X + 0 0 53 -3,-0.6 3,-1.2 1,-0.2 -1,-0.2 0.737 64.3 67.7 -64.9 -25.6 -4.3 55.6 80.6 69 69 A E G 3 S+ 0 0 117 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.862 96.9 55.3 -57.9 -34.9 -5.2 55.1 77.0 70 70 A F G X S+ 0 0 10 -3,-1.0 3,-0.6 -18,-0.1 2,-0.4 0.018 72.5 121.8-100.4 26.4 -2.3 52.6 76.7 71 71 A I T < S- 0 0 96 -3,-1.2 -10,-0.0 1,-0.2 -3,-0.0 -0.778 91.1 -1.1 -79.0 130.6 -3.3 50.2 79.5 72 72 A N T 3 S- 0 0 107 -2,-0.4 -1,-0.2 1,-0.1 40,-0.0 0.925 91.5-162.3 51.0 54.9 -3.7 46.7 78.0 73 73 A V < - 0 0 11 -3,-0.6 38,-0.2 1,-0.1 -1,-0.1 -0.348 13.7-120.8 -65.9 143.4 -2.8 47.9 74.4 74 74 A P - 0 0 104 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.293 47.8 -69.9 -74.8 170.9 -3.8 45.6 71.5 75 75 A E - 0 0 77 35,-0.1 2,-0.3 1,-0.1 35,-0.2 -0.262 54.4-151.4 -65.3 150.4 -1.1 44.3 69.1 76 76 A W - 0 0 2 33,-2.4 3,-0.1 1,-0.1 -28,-0.1 -0.891 24.8-147.5-126.9 150.0 0.6 46.8 66.8 77 77 A S S S- 0 0 9 -29,-1.4 2,-0.3 1,-0.4 -1,-0.1 0.912 89.2 -17.2 -75.2 -49.9 2.2 46.7 63.3 78 78 A Y S S- 0 0 0 184,-0.2 -28,-2.5 -30,-0.1 2,-0.4 -0.936 70.6-112.5-148.6 168.9 4.6 49.5 64.3 79 79 A I E -mn 50 264H 0 184,-2.9 186,-3.3 -2,-0.3 2,-0.5 -0.861 17.8-154.6-110.6 143.5 4.9 52.2 67.1 80 80 A V E +mn 51 265H 4 -30,-2.8 -28,-1.9 -2,-0.4 -27,-0.4 -0.965 18.0 171.2-121.9 117.7 4.7 55.9 66.6 81 81 A E E - n 0 266H 3 184,-2.9 186,-1.6 -2,-0.5 -25,-0.1 -0.968 28.5-123.6-125.2 136.8 6.4 58.2 69.1 82 82 A K - 0 0 35 -29,-0.6 186,-0.1 -2,-0.4 -28,-0.0 -0.208 26.1-112.5 -69.4 168.3 6.9 62.0 68.9 83 83 A A S S+ 0 0 50 1,-0.2 -1,-0.1 183,-0.1 185,-0.0 0.935 109.7 14.6 -68.7 -48.1 10.3 63.7 69.1 84 84 A N S S- 0 0 146 -28,-0.0 -1,-0.2 4,-0.0 2,-0.1 -0.557 80.5-168.7-128.7 68.2 9.8 65.4 72.5 85 85 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -29,-0.1 -0.360 14.4-148.4 -61.9 132.6 6.7 63.8 74.1 86 86 A V S S+ 0 0 114 1,-0.2 2,-1.7 2,-0.1 -31,-0.1 0.876 86.2 67.1 -70.5 -40.5 5.5 65.8 77.1 87 87 A N B S+o 55 0I 44 -33,-1.7 -31,-1.7 1,-0.1 -28,-0.2 -0.566 71.4 116.5 -84.5 76.0 4.1 62.8 79.1 88 88 A D S S- 0 0 59 -2,-1.7 2,-1.1 -33,-0.2 3,-0.1 0.444 80.4 -4.2-104.6-114.2 7.4 61.0 79.8 89 89 A L - 0 0 31 1,-0.2 -1,-0.2 4,-0.1 4,-0.1 -0.741 61.1-172.7 -86.2 98.6 8.7 60.6 83.4 90 90 A d S S+ 0 0 11 -2,-1.1 -1,-0.2 1,-0.1 -2,-0.0 0.944 81.4 50.5 -57.1 -49.7 6.1 62.5 85.5 91 91 A Y S S- 0 0 6 -3,-0.1 135,-0.2 1,-0.1 -1,-0.1 -0.825 110.3-106.3 -86.4 124.3 8.3 62.0 88.6 92 92 A P + 0 0 8 0, 0.0 134,-1.8 0, 0.0 2,-0.3 -0.054 68.3 93.5 -52.9 148.5 11.9 63.1 87.6 93 93 A G E -p 226 0J 23 132,-0.3 2,-0.3 -4,-0.1 134,-0.2 -0.993 63.7 -74.3 165.0-163.4 14.5 60.4 87.1 94 94 A D E -p 227 0J 70 132,-1.4 134,-2.4 -2,-0.3 2,-0.6 -0.930 23.4-137.9-127.5 152.9 16.4 58.1 84.7 95 95 A F E > -p 228 0J 22 -2,-0.3 3,-1.0 132,-0.2 2,-0.2 -0.968 30.2-128.9-110.0 115.5 15.4 55.0 82.8 96 96 A N T 3 S- 0 0 57 132,-3.0 134,-0.1 -2,-0.6 5,-0.1 -0.472 84.9 -7.2 -70.5 130.0 18.2 52.5 82.9 97 97 A D T 3> S+ 0 0 57 -2,-0.2 4,-1.6 1,-0.1 -1,-0.3 0.918 82.9 160.2 47.8 51.6 19.2 51.1 79.5 98 98 A Y H <> + 0 0 29 -3,-1.0 4,-2.7 2,-0.2 5,-0.1 0.875 69.5 49.4 -67.5 -39.9 16.2 52.8 77.9 99 99 A E H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 292,-0.2 0.890 109.3 51.4 -70.7 -41.0 17.6 52.7 74.4 100 100 A E H > S+ 0 0 3 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.862 112.2 47.6 -62.9 -36.3 18.5 49.0 74.7 101 101 A L H X S+ 0 0 5 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.927 109.6 52.3 -69.8 -45.9 14.9 48.4 75.8 102 102 A K H < S+ 0 0 15 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.852 107.5 53.2 -54.8 -37.8 13.5 50.5 73.0 103 103 A H H >< S+ 0 0 28 -4,-2.1 3,-1.1 1,-0.2 4,-0.4 0.867 102.7 57.7 -65.9 -36.3 15.6 48.4 70.6 104 104 A L H >< S+ 0 0 44 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.831 98.3 61.6 -61.8 -33.4 14.0 45.2 72.1 105 105 A L G >< S+ 0 0 1 -4,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.658 87.7 70.8 -67.4 -20.2 10.6 46.7 71.1 106 106 A S G < S+ 0 0 31 -3,-1.1 156,-1.9 -4,-0.5 -1,-0.3 0.708 102.0 45.7 -67.9 -20.9 11.6 46.6 67.4 107 107 A R G < S+ 0 0 166 -3,-1.3 2,-0.4 -4,-0.4 153,-0.3 0.258 103.0 85.8 -98.8 9.2 11.4 42.8 67.8 108 108 A I < + 0 0 8 -3,-1.2 151,-0.2 151,-0.3 155,-0.1 -0.948 38.6 169.0-123.4 129.7 8.0 42.9 69.6 109 109 A N S S+ 0 0 19 149,-1.7 -33,-2.4 -2,-0.4 2,-0.3 0.641 71.6 23.4-105.7 -24.1 4.4 43.1 68.2 110 110 A H E -Q 258 0J 40 148,-1.4 148,-1.2 -35,-0.2 147,-0.9 -0.945 51.8-168.6-153.4 131.8 2.4 42.5 71.3 111 111 A F E -Q 256 0J 8 -2,-0.3 2,-0.4 -38,-0.2 145,-0.2 -0.870 9.5-158.9-104.5 145.0 2.6 42.7 75.1 112 112 A E E -Q 255 0J 88 143,-2.9 143,-2.9 -2,-0.4 2,-0.2 -0.995 19.6-134.9-120.8 124.6 -0.0 41.2 77.5 113 113 A K E +Q 254 0J 24 -2,-0.4 2,-0.3 141,-0.2 141,-0.2 -0.526 27.5 175.1 -80.3 139.5 -0.1 42.7 80.9 114 114 A I E -Q 253 0J 32 139,-1.3 139,-2.5 -2,-0.2 2,-0.5 -0.991 30.6-118.8-141.3 153.3 -0.2 40.5 84.1 115 115 A Q E +Q 252 0J 95 -2,-0.3 137,-0.2 137,-0.2 136,-0.1 -0.792 32.8 163.8 -91.5 125.4 -0.1 41.0 87.8 116 116 A I S S+ 0 0 21 135,-2.0 136,-0.2 -2,-0.5 -1,-0.2 0.752 74.5 33.5-107.0 -41.1 2.8 39.3 89.6 117 117 A I S S- 0 0 13 134,-1.3 -1,-0.3 133,-0.2 2,-0.1 -0.970 83.7-138.3-115.2 113.8 2.8 41.1 93.0 118 118 A P - 0 0 38 0, 0.0 4,-0.3 0, 0.0 134,-0.0 -0.458 9.4-135.7 -67.2 143.9 -0.7 42.2 94.2 119 119 A K S > S+ 0 0 95 1,-0.2 3,-0.9 2,-0.2 8,-0.1 0.848 107.7 52.6 -67.6 -36.0 -0.9 45.7 95.7 120 120 A S T 3 S+ 0 0 105 1,-0.2 -1,-0.2 7,-0.0 7,-0.1 0.851 91.7 77.2 -62.7 -36.4 -3.1 44.3 98.5 121 121 A S T 3 + 0 0 43 1,-0.2 2,-2.0 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