==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 07-MAR-13 4JJ7 . COMPND 2 MOLECULE: CASPASE-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.J.VICKERS,G.E.GONZALEZ-PAEZ,D.W.WOLAN . 246 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 2 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 . 3 2 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 1 223 A D 0 0 189 0, 0.0 2,-0.1 0, 0.0 235,-0.1 0.000 360.0 360.0 360.0 136.1 37.5 60.6 120.4 2 224 A K - 0 0 161 233,-0.1 235,-2.8 1,-0.0 2,-0.4 -0.446 360.0-168.7 -68.7 140.5 40.9 61.0 118.9 3 225 A V B -a 237 0A 64 233,-0.3 235,-0.2 -2,-0.1 2,-0.1 -0.986 25.7-106.5-134.4 138.1 43.7 60.2 121.3 4 226 A Y - 0 0 9 233,-2.7 235,-0.3 -2,-0.4 125,-0.1 -0.427 43.7-102.8 -62.8 137.8 47.5 60.9 121.0 5 227 A Q + 0 0 109 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.383 46.8 170.9 -54.7 133.7 49.5 57.7 120.4 6 228 A M + 0 0 15 -2,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.496 37.5 104.0-151.8 69.5 51.2 56.8 123.7 7 229 A K + 0 0 141 4,-0.1 4,-0.1 3,-0.1 -1,-0.1 0.479 41.0 114.2-130.9 -12.0 52.8 53.4 123.3 8 230 A S - 0 0 20 3,-0.2 78,-0.1 -3,-0.1 77,-0.1 -0.310 67.0-115.3 -67.5 153.5 56.5 53.9 123.0 9 231 A K S S+ 0 0 140 1,-0.2 2,-0.2 75,-0.1 48,-0.1 -0.908 111.6 29.3-131.4 103.3 58.7 52.5 125.7 10 232 A P S S- 0 0 43 0, 0.0 47,-0.2 0, 0.0 76,-0.2 0.467 89.9-150.2 -73.0 160.6 60.1 54.9 127.0 11 233 A R - 0 0 13 45,-3.0 75,-2.6 1,-0.3 76,-1.6 0.802 60.5 -69.0 -65.9 -31.4 57.2 57.3 126.2 12 234 A G - 0 0 0 44,-0.5 46,-2.7 73,-0.2 -1,-0.3 -0.943 65.4 -53.0 162.5-178.7 59.6 60.2 126.0 13 235 A Y E -b 58 0B 35 74,-0.4 76,-2.5 -2,-0.3 2,-0.5 -0.663 35.0-159.1 -85.3 146.9 61.9 62.3 128.2 14 236 A C E -bc 59 89B 0 44,-2.5 46,-2.7 -2,-0.3 2,-0.3 -0.938 14.4-159.1-123.8 102.1 60.7 64.0 131.3 15 237 A L E -bc 60 90B 0 74,-2.8 76,-2.8 -2,-0.5 2,-0.5 -0.609 4.7-164.9 -78.5 140.6 63.1 66.9 132.1 16 238 A I E -bc 61 91B 0 44,-2.4 46,-2.7 -2,-0.3 2,-0.7 -0.958 5.6-168.4-126.9 115.4 63.1 68.2 135.7 17 239 A I E -bc 62 92B 0 74,-3.1 76,-2.8 -2,-0.5 2,-0.7 -0.921 14.3-172.7 -99.9 112.3 64.8 71.5 136.3 18 240 A N E -bc 63 93B 12 44,-2.9 46,-2.5 -2,-0.7 2,-0.6 -0.893 4.5-168.3-118.8 97.6 65.0 71.7 140.1 19 241 A N + 0 0 0 74,-2.7 3,-0.1 -2,-0.7 44,-0.1 -0.809 25.9 143.6 -97.1 119.5 66.2 75.0 141.5 20 242 A H + 0 0 56 -2,-0.6 18,-2.2 1,-0.2 2,-0.7 0.773 51.9 66.5-112.1 -52.2 67.1 75.1 145.2 21 243 A N + 0 0 69 16,-0.2 3,-0.3 1,-0.1 -1,-0.2 -0.738 43.8 169.9 -94.5 108.8 70.1 77.3 145.8 22 244 A F > + 0 0 0 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.068 40.5 117.8-105.8 26.1 69.5 81.0 145.2 23 245 A A H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.888 76.5 53.4 -57.9 -38.5 72.7 82.3 146.8 24 246 A K H > S+ 0 0 108 -3,-0.3 4,-2.7 80,-0.2 5,-0.3 0.929 108.5 48.5 -64.9 -45.4 73.8 83.8 143.4 25 247 A A H > S+ 0 0 0 79,-1.8 4,-2.5 1,-0.2 7,-0.3 0.923 110.6 51.8 -57.0 -45.4 70.5 85.7 143.0 26 248 A R H < S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.1 40.9 -61.3 -36.7 70.8 87.1 146.6 27 249 A E H < S+ 0 0 142 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.868 125.5 31.8 -74.8 -40.2 74.4 88.3 145.8 28 250 A K H < S+ 0 0 142 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.685 106.0 61.5-100.9 -25.7 73.8 89.6 142.3 29 251 A V >< - 0 0 23 -4,-2.5 3,-2.1 -5,-0.3 -1,-0.2 -0.915 65.2-152.9-114.4 105.5 70.3 91.0 141.9 30 252 A P G > S+ 0 0 115 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.851 94.4 49.6 -46.6 -46.1 69.6 93.9 144.3 31 253 A K G 3 S+ 0 0 133 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.682 108.0 55.3 -72.3 -13.7 65.8 93.3 144.5 32 254 A L G X + 0 0 16 -3,-2.1 3,-1.9 -7,-0.3 -1,-0.3 0.084 66.9 126.1-103.4 23.9 66.3 89.6 145.3 33 255 A H T < S+ 0 0 124 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.754 83.1 32.5 -52.8 -29.9 68.5 90.2 148.3 34 256 A S T 3 S+ 0 0 81 -3,-0.3 -1,-0.3 -9,-0.1 -2,-0.1 0.232 79.4 138.0-116.5 16.8 66.3 88.1 150.4 35 257 A I < - 0 0 23 -3,-1.9 2,-0.2 -13,-0.1 -9,-0.1 -0.400 50.8-128.5 -63.6 134.3 65.0 85.5 148.0 36 258 A R - 0 0 151 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.500 13.0-103.4 -90.5 154.1 65.1 82.1 149.9 37 259 A D - 0 0 44 -2,-0.2 2,-2.0 1,-0.1 -16,-0.2 -0.466 41.3-115.6 -62.7 144.6 66.5 78.8 149.0 38 260 A R > - 0 0 0 -18,-2.2 3,-2.1 -2,-0.1 4,-0.2 -0.371 39.0-166.5 -89.4 63.5 63.7 76.5 148.0 39 261 A N T 3 S+ 0 0 57 -2,-2.0 143,-0.1 1,-0.3 141,-0.1 -0.195 70.4 24.9 -55.5 136.9 64.0 74.0 150.8 40 262 A G T >> S+ 0 0 6 140,-0.1 3,-1.8 141,-0.1 4,-0.7 0.338 79.8 122.3 92.9 -8.5 62.0 70.9 150.2 41 263 A T H X> + 0 0 2 -3,-2.1 4,-2.1 1,-0.3 3,-0.8 0.828 65.5 67.9 -59.7 -29.3 62.1 71.1 146.4 42 264 A H H 3> S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.803 90.6 62.6 -59.1 -27.2 63.7 67.7 146.2 43 265 A L H <> S+ 0 0 61 -3,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.864 105.9 45.3 -66.1 -34.7 60.5 66.2 147.5 44 266 A D H S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 -1,-0.2 0.812 111.9 56.1 -76.9 -24.5 56.7 59.7 135.5 53 275 A E H ><5S+ 0 0 113 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.2 0.911 105.9 52.0 -65.2 -38.7 58.8 56.6 135.8 54 276 A E H 3<5S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.804 107.4 53.7 -63.3 -29.3 55.7 54.6 136.6 55 277 A L T 3<5S- 0 0 4 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.267 124.9-105.5 -90.2 10.7 54.2 56.1 133.4 56 278 A H T < 5S+ 0 0 55 -3,-1.8 -45,-3.0 1,-0.3 -44,-0.5 0.683 71.8 139.8 79.1 23.3 57.2 54.9 131.4 57 279 A F < - 0 0 7 -5,-2.8 2,-0.6 -47,-0.2 -1,-0.3 -0.664 54.3-122.8 -92.8 156.2 59.1 58.2 130.9 58 280 A E E -b 13 0B 73 -46,-2.7 -44,-2.5 -2,-0.3 2,-0.3 -0.876 31.5-138.9 -98.4 114.8 62.9 58.5 131.0 59 281 A I E -b 14 0B 20 -2,-0.6 -44,-0.2 -46,-0.2 -46,-0.1 -0.618 19.6-173.1 -85.7 136.2 63.6 61.1 133.7 60 282 A K E -b 15 0B 60 -46,-2.7 -44,-2.4 -2,-0.3 2,-0.3 -0.853 12.1-167.9-128.9 92.1 66.4 63.7 133.1 61 283 A P E -b 16 0B 81 0, 0.0 2,-0.4 0, 0.0 -44,-0.2 -0.616 10.1-177.4 -85.5 147.0 67.0 65.8 136.3 62 284 A H E -b 17 0B 62 -46,-2.7 -44,-2.9 -2,-0.3 2,-0.4 -0.975 13.0-155.7-142.0 121.3 69.0 69.0 136.4 63 285 A D E +b 18 0B 107 -2,-0.4 -44,-0.2 1,-0.2 -46,-0.1 -0.792 61.3 2.9-102.2 142.3 69.6 70.8 139.7 64 286 A D S S- 0 0 60 -46,-2.5 2,-0.5 -2,-0.4 -1,-0.2 0.967 76.7-179.6 57.8 68.0 70.4 74.4 140.4 65 287 A C - 0 0 5 -3,-0.2 39,-1.9 4,-0.0 -1,-0.2 -0.850 22.5-144.7-108.1 131.1 70.3 76.0 137.0 66 288 A T > - 0 0 11 -2,-0.5 4,-2.5 37,-0.3 5,-0.2 -0.329 40.4 -98.6 -73.1 169.8 70.9 79.6 136.0 67 289 A V H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.941 126.4 49.8 -58.2 -47.0 68.9 81.0 133.1 68 290 A E H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 110.8 50.3 -61.1 -38.5 71.7 80.4 130.6 69 291 A Q H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 108.2 52.9 -64.5 -40.7 72.1 76.8 131.9 70 292 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.945 109.4 48.2 -59.0 -47.5 68.3 76.3 131.5 71 293 A Y H X S+ 0 0 74 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.880 109.7 53.1 -63.6 -35.3 68.5 77.5 127.9 72 294 A E H X S+ 0 0 124 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.6 47.1 -63.1 -44.8 71.5 75.2 127.2 73 295 A I H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.925 111.5 50.1 -61.5 -45.9 69.6 72.2 128.5 74 296 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.900 108.4 53.2 -62.5 -36.5 66.5 73.0 126.5 75 297 A K H X S+ 0 0 99 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.912 104.9 55.3 -62.7 -40.8 68.6 73.3 123.4 76 298 A I H X S+ 0 0 83 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.934 113.7 40.8 -55.4 -45.1 70.1 69.9 124.0 77 299 A Y H < S+ 0 0 20 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.857 109.8 57.3 -77.4 -31.1 66.6 68.5 124.1 78 300 A Q H < S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.7 44.6 -58.8 -39.2 65.3 70.5 121.2 79 301 A L H < S+ 0 0 120 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.529 93.2 105.3 -86.7 -10.0 68.1 69.0 119.1 80 302 A M S < S- 0 0 55 -4,-0.6 2,-0.9 -3,-0.5 45,-0.2 -0.343 81.4-107.8 -67.4 153.4 67.6 65.5 120.3 81 303 A D + 0 0 100 1,-0.1 3,-0.3 43,-0.1 -1,-0.1 -0.754 39.6 171.2 -84.8 108.6 65.9 62.9 118.1 82 304 A H > + 0 0 0 -2,-0.9 3,-2.2 1,-0.2 -1,-0.1 0.168 42.4 114.9 -96.9 15.7 62.4 62.3 119.5 83 305 A S T 3 S+ 0 0 60 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.828 79.2 44.9 -60.4 -31.5 61.3 60.2 116.6 84 306 A N T 3 S+ 0 0 130 -3,-0.3 -1,-0.3 -76,-0.0 2,-0.3 0.320 102.9 85.0 -92.2 6.4 61.0 57.1 118.7 85 307 A M < - 0 0 15 -3,-2.2 -73,-0.2 40,-0.2 -74,-0.1 -0.745 59.9-158.0-105.7 156.3 59.2 58.9 121.5 86 308 A D S S+ 0 0 10 -75,-2.6 2,-0.3 -2,-0.3 -74,-0.2 0.509 74.1 12.2-103.7 -10.9 55.5 59.7 121.8 87 309 A C - 0 0 0 -76,-1.6 -74,-0.4 42,-0.2 2,-0.4 -0.982 56.5-145.0-160.3 160.9 55.6 62.6 124.2 88 310 A F E - d 0 131B 0 42,-1.9 44,-2.8 -2,-0.3 2,-0.4 -0.996 14.8-170.4-137.0 137.0 57.9 65.2 125.9 89 311 A I E -cd 14 132B 0 -76,-2.5 -74,-2.8 -2,-0.4 2,-0.4 -0.979 4.3-174.1-126.1 140.4 57.5 66.6 129.4 90 312 A C E -cd 15 133B 0 42,-2.7 44,-2.2 -2,-0.4 2,-0.5 -0.984 4.6-168.3-134.9 121.9 59.4 69.4 131.0 91 313 A C E -cd 16 134B 0 -76,-2.8 -74,-3.1 -2,-0.4 2,-0.5 -0.938 2.0-165.6-110.1 129.5 59.0 70.3 134.7 92 314 A I E -cd 17 135B 0 42,-2.8 44,-2.9 -2,-0.5 2,-0.5 -0.976 5.2-175.4-118.7 124.6 60.3 73.6 136.1 93 315 A L E +cd 18 136B 0 -76,-2.8 -74,-2.7 -2,-0.5 2,-0.3 -0.964 39.1 103.1-118.2 107.2 60.6 74.0 139.9 94 316 A S S S- 0 0 0 42,-2.6 44,-0.2 -2,-0.5 2,-0.2 -0.959 71.8 -73.7-161.8 179.4 61.8 77.5 140.8 95 317 A H + 0 0 10 7,-0.3 7,-2.9 -2,-0.3 2,-0.3 -0.529 56.2 169.5 -75.4 160.4 60.9 81.0 142.1 96 318 A G E -G 101 0C 8 152,-1.9 44,-0.3 5,-0.3 2,-0.2 -0.941 25.6-155.0-159.3-177.1 59.1 83.2 139.6 97 319 A D E > -G 100 0C 56 3,-1.4 3,-2.4 -2,-0.3 43,-0.2 -0.825 62.5 -29.3-151.9-174.4 57.1 86.3 138.9 98 320 A K T 3 S- 0 0 46 1,-0.3 42,-0.1 -2,-0.2 41,-0.1 -0.217 129.4 -15.4 -56.9 116.6 54.5 87.4 136.3 99 321 A G T 3 S+ 0 0 36 1,-0.2 12,-2.5 40,-0.1 13,-0.4 0.445 124.3 82.0 76.1 2.1 55.2 85.4 133.1 100 322 A I E < -GH 97 110C 12 -3,-2.4 -3,-1.4 10,-0.3 2,-0.3 -0.886 59.2-147.4-135.0 161.7 58.7 84.3 134.2 101 323 A I E -GH 96 109C 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.4 -0.937 28.3-123.7-119.7 153.8 60.7 81.9 136.2 102 324 A Y E - H 0 108C 12 -7,-2.9 -7,-0.3 -2,-0.3 6,-0.2 -0.771 10.6-138.6 -95.2 139.3 64.0 82.7 137.8 103 325 A G > - 0 0 0 4,-2.5 3,-2.4 -2,-0.4 -37,-0.3 -0.456 40.3 -99.4 -72.1 168.0 67.3 81.0 137.3 104 326 A T T 3 S+ 0 0 3 -39,-1.9 -79,-1.8 1,-0.3 -80,-0.2 0.711 126.6 60.7 -63.7 -19.7 69.4 80.4 140.5 105 327 A D T 3 S- 0 0 36 -81,-0.2 -1,-0.3 -40,-0.1 -77,-0.1 0.450 118.9-112.1 -82.1 -4.4 71.3 83.6 139.4 106 328 A G S < S+ 0 0 5 -3,-2.4 2,-0.1 1,-0.3 -2,-0.1 0.502 72.8 135.9 82.4 4.7 68.2 85.6 139.6 107 329 A Q - 0 0 109 1,-0.1 -4,-2.5 -78,-0.0 2,-0.4 -0.471 54.3-115.1 -76.4 161.5 67.9 86.3 135.9 108 330 A E E -H 102 0C 94 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.802 22.2-168.0-104.5 136.7 64.5 85.9 134.3 109 331 A A E -H 101 0C 0 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.1 -0.968 24.1-133.6-117.9 113.3 63.3 83.4 131.8 110 332 A P E >> -H 100 0C 52 0, 0.0 3,-1.1 0, 0.0 4,-1.0 -0.433 17.0-128.0 -61.1 138.9 60.0 84.2 130.2 111 333 A I H >> S+ 0 0 12 -12,-2.5 4,-2.2 1,-0.3 3,-0.9 0.880 109.5 60.4 -58.4 -37.3 57.8 81.0 130.2 112 334 A Y H 3> S+ 0 0 134 -13,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.823 99.2 57.2 -56.5 -35.9 57.2 81.6 126.4 113 335 A E H <4 S+ 0 0 76 -3,-1.1 -1,-0.3 2,-0.2 4,-0.2 0.760 108.8 47.4 -66.8 -27.0 61.0 81.3 125.8 114 336 A L H X< S+ 0 0 0 -4,-1.0 3,-1.1 -3,-0.9 -2,-0.2 0.943 116.7 38.3 -77.3 -54.2 60.9 77.9 127.4 115 337 A T H >< S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.863 106.4 66.1 -69.5 -32.1 58.0 76.4 125.6 116 338 A S G >< S+ 0 0 8 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.612 84.3 74.2 -69.4 -11.2 58.8 78.0 122.3 117 339 A Q G < S+ 0 0 32 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.638 97.4 50.1 -70.1 -12.2 62.0 76.0 122.0 118 340 A F G < S+ 0 0 0 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.142 76.1 132.3-117.4 19.0 59.8 72.9 121.2 119 341 A T S <> S- 0 0 7 -3,-1.0 4,-2.5 1,-0.1 41,-0.2 -0.161 74.4-100.7 -60.3 165.5 57.5 74.2 118.5 120 342 A G T 4 S+ 0 0 17 39,-2.3 7,-0.2 1,-0.2 6,-0.1 0.835 122.6 50.9 -62.2 -32.0 57.1 72.0 115.5 121 343 A L T 4 S+ 0 0 138 1,-0.2 -1,-0.2 38,-0.2 39,-0.0 0.892 115.3 41.4 -72.0 -39.0 59.6 74.0 113.4 122 344 A K T 4 S+ 0 0 103 1,-0.3 -2,-0.2 -6,-0.2 -1,-0.2 0.801 131.3 24.7 -77.9 -27.7 62.3 74.0 116.1 123 345 A C >< + 0 0 0 -4,-2.5 3,-2.0 1,-0.1 -1,-0.3 -0.650 66.4 170.4-137.3 75.7 61.7 70.3 117.0 124 346 A P G > S+ 0 0 89 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.783 74.4 68.4 -62.2 -26.2 60.2 68.5 114.1 125 347 A S G 3 S+ 0 0 31 1,-0.3 -40,-0.2 -45,-0.2 -5,-0.1 0.600 104.0 45.8 -72.9 -6.5 60.7 65.0 115.7 126 348 A L G X S+ 0 0 0 -3,-2.0 3,-2.5 -7,-0.2 -1,-0.3 0.283 82.9 132.9-105.6 4.7 58.0 66.1 118.2 127 349 A A T < S+ 0 0 55 -3,-1.7 35,-0.1 1,-0.3 32,-0.1 -0.355 79.8 10.2 -60.9 132.3 55.7 67.5 115.5 128 350 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.3 33,-0.1 34,-0.1 0.430 109.3 110.1 81.0 -2.7 52.2 66.2 116.1 129 351 A K S < S- 0 0 40 -3,-2.5 -1,-0.3 32,-0.1 -42,-0.2 -0.836 77.5 -97.7-110.0 146.0 53.2 64.9 119.6 130 352 A P - 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0 0 97 -2,-0.2 2,-0.5 30,-0.2 83,-0.1 -0.703 24.7-124.9 -77.3 135.4 47.8 86.5 147.7 144 366 A Q B -J 225 0E 61 81,-0.8 81,-2.4 -2,-0.4 2,-0.1 -0.715 31.9-134.5 -76.6 122.2 44.9 84.9 146.0 145 367 A K - 0 0 170 -2,-0.5 2,-0.2 79,-0.2 79,-0.1 -0.328 13.3-121.7 -76.7 159.0 41.9 85.7 148.1 146 368 A G - 0 0 46 77,-0.4 -1,-0.1 79,-0.1 72,-0.0 -0.670 16.0-157.7 -98.0 158.3 39.2 83.2 149.1 147 369 A I - 0 0 145 -2,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.988 23.9-114.9-133.0 140.6 35.4 83.2 148.5 148 370 A P + 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.564 40.0 165.7 -81.0 136.1 32.8 81.3 150.5 149 371 A V - 0 0 123 -2,-0.3 2,-0.1 3,-0.0 3,-0.1 -0.936 40.4 -87.6-137.5 165.5 30.8 78.6 148.8 150 372 A E - 0 0 91 -2,-0.3 2,-0.3 1,-0.1 0, 0.0 -0.371 50.0-100.5 -70.1 152.5 28.6 75.7 149.9 151 373 A T 0 0 141 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.575 360.0 360.0 -77.0 132.7 30.1 72.4 150.7 152 374 A D 0 0 157 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.425 360.0 360.0 -65.3 360.0 29.9 69.7 148.0 153 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 154 390 A T 0 0 167 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.2 51.0 66.3 103.0 155 391 A R - 0 0 96 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.677 360.0-150.3-100.9 153.5 49.0 68.0 105.8 156 392 A Y - 0 0 203 -2,-0.3 3,-0.0 0, 0.0 0, 0.0 -0.944 11.7-177.8-124.4 144.2 50.0 70.9 108.0 157 393 A I - 0 0 80 -2,-0.4 2,-0.0 1,-0.1 -30,-0.0 -0.801 45.0 -70.3-127.4 170.1 49.0 71.9 111.5 158 394 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 -38,-0.1 -0.355 35.6-124.0 -67.4 146.2 50.1 75.0 113.5 159 395 A D T 3 S+ 0 0 58 1,-0.3 -39,-2.3 -40,-0.1 -38,-0.2 0.805 112.9 47.9 -48.9 -38.4 53.6 75.4 114.7 160 396 A E T > S+ 0 0 99 -41,-0.2 3,-0.5 -40,-0.1 -1,-0.3 0.168 86.4 125.8 -98.9 19.5 52.3 75.8 118.3 161 397 A A T < + 0 0 7 -3,-2.0 73,-0.2 1,-0.2 -33,-0.1 -0.274 57.9 30.5 -70.0 159.7 49.9 72.8 118.3 162 398 A D T 3 S+ 0 0 2 71,-2.2 -31,-2.6 1,-0.2 2,-0.3 0.738 80.4 138.3 69.7 29.5 49.9 70.0 120.8 163 399 A F E < -e 131 0B 23 -3,-0.5 70,-2.9 -33,-0.2 71,-0.8 -0.808 31.8-170.4-102.6 148.9 51.1 71.9 123.9 164 400 A L E -eF 132 232B 0 -33,-2.4 -31,-2.9 -2,-0.3 2,-0.5 -0.988 4.6-170.4-130.9 125.6 49.8 71.6 127.5 165 401 A L E -eF 133 231B 34 66,-3.1 66,-2.3 -2,-0.4 2,-0.8 -0.970 3.4-165.6-118.0 114.0 51.1 74.1 130.0 166 402 A G E -eF 134 230B 0 -33,-3.3 -31,-2.7 -2,-0.5 2,-0.4 -0.886 9.3-167.1-100.4 105.7 50.2 73.4 133.6 167 403 A M E -eF 135 229B 15 62,-1.6 62,-2.3 -2,-0.8 -31,-0.2 -0.782 22.5-142.0 -91.9 140.3 50.8 76.5 135.8 168 404 A A S S+ 0 0 0 -33,-2.2 2,-0.3 -2,-0.4 8,-0.2 0.714 85.0 14.8 -67.3 -24.6 50.8 76.2 139.6 169 405 A T S S- 0 0 2 -34,-0.2 -1,-0.2 60,-0.2 60,-0.1 -0.994 79.8-103.6-149.4 150.6 49.0 79.5 139.8 170 406 A V > - 0 0 30 57,-1.6 3,-1.3 -2,-0.3 -31,-0.3 -0.202 65.3 -73.8 -55.7 157.8 47.0 82.1 137.8 171 407 A N T 3 S+ 0 0 75 1,-0.2 -1,-0.2 -33,-0.1 -31,-0.2 -0.197 114.2 25.8 -60.1 154.4 49.1 85.2 137.0 172 408 A N T 3 S+ 0 0 87 -33,-2.2 -30,-2.2 1,-0.2 -31,-0.2 0.196 103.9 97.2 83.6 -12.0 49.9 87.8 139.6 173 409 A C B < -i 142 0D 9 -3,-1.3 -34,-3.1 -32,-0.2 -33,-0.2 -0.654 69.2-108.6-120.8 164.6 49.7 85.4 142.5 174 410 A V - 0 0 2 -32,-2.0 2,-0.3 -36,-0.2 -30,-0.1 -0.341 18.9-149.9 -80.2 162.3 51.9 83.2 144.7 175 411 A S - 0 0 0 -35,-0.1 73,-2.3 51,-0.1 2,-0.3 -0.976 22.7-118.1-132.6 151.4 52.2 79.5 144.9 176 412 A Y B -K 247 0F 0 -2,-0.3 8,-1.8 71,-0.2 9,-0.4 -0.673 21.6-174.3-101.6 144.8 53.0 77.5 148.0 177 413 A R E -L 183 0G 10 69,-2.4 6,-0.3 -2,-0.3 -136,-0.1 -0.986 11.9-156.8-130.7 117.3 55.9 75.2 149.0 178 414 A N E >> -L 182 0G 63 4,-2.5 4,-3.2 -2,-0.4 3,-2.0 -0.855 12.8-148.8 -91.4 115.4 55.8 73.3 152.3 179 415 A P T 34 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -136,-0.1 0.710 96.4 47.5 -59.7 -20.7 59.5 72.6 153.0 180 416 A A T 34 S+ 0 0 69 65,-0.2 -140,-0.1 2,-0.2 65,-0.0 0.447 128.3 19.0 -97.8 -1.4 58.5 69.4 154.8 181 417 A E T <4 S- 0 0 125 -3,-2.0 2,-0.2 1,-0.3 -141,-0.1 0.551 102.7-108.3-137.0 -26.0 56.2 68.0 152.1 182 418 A G E < -L 178 0G 2 -4,-3.2 -4,-2.5 -143,-0.1 -1,-0.3 -0.676 57.5 -34.1 110.4-176.9 56.7 69.7 148.7 183 419 A T E > -L 177 0G 1 -6,-0.3 4,-2.2 -2,-0.2 5,-0.4 -0.523 47.5-124.1 -84.8 153.3 54.6 72.1 146.8 184 420 A W H > S+ 0 0 28 -8,-1.8 4,-1.7 -2,-0.2 5,-0.2 0.931 110.6 42.3 -54.8 -48.6 50.8 72.3 146.8 185 421 A Y H > S+ 0 0 2 -9,-0.4 4,-2.8 2,-0.2 5,-0.2 0.947 115.8 43.0 -70.1 -52.0 50.7 71.9 143.1 186 422 A I H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 115.0 50.0 -66.4 -39.5 53.3 69.3 142.3 187 423 A Q H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.929 114.5 44.4 -64.7 -40.7 52.2 67.1 145.2 188 424 A S H X S+ 0 0 13 -4,-1.7 4,-2.6 -5,-0.4 5,-0.2 0.918 112.5 52.9 -66.0 -43.6 48.6 67.2 144.1 189 425 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.941 111.7 45.4 -55.8 -49.8 49.5 66.7 140.4 190 426 A C H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.924 112.2 50.5 -64.9 -43.9 51.5 63.6 141.2 191 427 A Q H X S+ 0 0 142 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.937 113.5 46.0 -57.8 -45.5 48.9 62.1 143.5 192 428 A S H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.906 112.9 48.7 -67.0 -41.9 46.2 62.7 140.9 193 429 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.933 111.8 49.4 -61.3 -45.9 48.3 61.2 138.0 194 430 A R H < S+ 0 0 112 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.890 118.0 39.8 -64.7 -36.5 49.2 58.2 140.0 195 431 A E H < S+ 0 0 59 -4,-2.0 4,-0.2 -5,-0.2 -1,-0.2 0.870 125.6 32.7 -76.4 -38.5 45.6 57.5 141.0 196 432 A R H >X>S+ 0 0 58 -4,-2.6 5,-1.7 -5,-0.2 3,-0.9 0.759 99.4 70.2-103.4 -25.4 43.9 58.4 137.7 197 433 A C G ><5S+ 0 0 4 -4,-2.4 3,-1.8 -5,-0.3 45,-0.2 0.929 98.8 55.3 -62.1 -37.2 46.2 57.5 134.8 198 434 A P G 345S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.750 104.3 55.9 -63.7 -23.8 45.6 53.7 135.6 199 435 A R G <45S- 0 0 166 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.523 119.7-112.7 -78.5 -11.2 41.9 54.4 135.2 200 436 A G T <<5 + 0 0 39 -3,-1.8 -3,-0.2 -4,-0.5 2,-0.1 0.559 60.1 158.5 90.9 9.7 42.4 55.8 131.8 201 437 A D < - 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