==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 28-JUL-10 3O64 . COMPND 2 MOLECULE: TACE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH . 506 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 24.3 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+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 2 0 2 0 0 0 0 2 0 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 0 0 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 1 217 A D 0 0 110 0, 0.0 2,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 131.9 21.5 33.2 40.3 2 218 A P - 0 0 48 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.458 360.0-141.5 -67.9 128.0 18.2 31.5 41.3 3 219 A D > - 0 0 44 3,-0.4 3,-2.1 -2,-0.2 0, 0.0 -0.819 3.4-156.1 -87.4 111.3 15.5 34.0 42.3 4 220 A P G > S+ 0 0 91 0, 0.0 248,-0.7 0, 0.0 3,-0.5 0.773 97.0 56.8 -60.3 -21.0 13.6 32.4 45.3 5 221 A M G 3 S+ 0 0 112 1,-0.2 246,-0.1 246,-0.2 3,-0.1 0.553 115.2 36.7 -80.8 -15.0 10.7 34.7 44.3 6 222 A K G < S+ 0 0 72 -3,-2.1 -3,-0.4 1,-0.1 -1,-0.2 -0.436 84.7 102.3-136.7 58.5 10.7 33.2 40.8 7 223 A N < + 0 0 27 243,-1.5 53,-1.9 -3,-0.5 2,-0.4 0.381 62.1 77.0-121.9 2.1 11.5 29.5 41.2 8 224 A T E -aB 60 250A 0 242,-2.1 242,-2.9 51,-0.2 2,-0.7 -0.974 59.8-148.6-125.3 131.1 8.2 27.7 40.8 9 225 A a E -a 61 0A 0 51,-2.9 53,-1.9 -2,-0.4 2,-0.3 -0.841 25.1-144.4 -91.8 110.6 6.1 26.8 37.7 10 226 A K E -a 62 0A 18 -2,-0.7 108,-1.5 238,-0.4 107,-0.7 -0.677 17.9-148.2 -79.4 134.6 2.4 26.9 38.9 11 227 A L E -ac 63 118A 0 51,-2.8 53,-3.1 -2,-0.3 54,-1.4 -0.849 18.6-148.9-110.2 143.9 0.2 24.3 37.2 12 228 A L E -ac 65 119A 1 106,-2.5 108,-2.7 -2,-0.4 2,-0.5 -0.924 27.7-161.0 -97.8 119.1 -3.4 24.1 36.2 13 229 A V E -ac 66 120A 0 52,-2.9 54,-3.0 -2,-0.6 2,-0.4 -0.927 6.2-167.4-107.1 128.6 -4.2 20.3 36.6 14 230 A V E -ac 67 121A 0 106,-2.6 108,-3.2 -2,-0.5 2,-0.5 -0.979 7.6-166.1-118.9 127.4 -7.2 19.0 34.7 15 231 A A E -ac 68 122A 0 52,-2.8 54,-2.8 -2,-0.4 108,-0.2 -0.961 19.1-148.3-109.5 117.9 -8.7 15.5 35.4 16 232 A D > - 0 0 0 106,-1.9 4,-2.5 -2,-0.5 5,-0.2 -0.247 32.7 -91.9 -78.2 174.7 -11.1 14.5 32.7 17 233 A H H > S+ 0 0 27 1,-0.2 4,-2.2 54,-0.2 5,-0.2 0.789 126.1 54.4 -56.3 -32.5 -14.3 12.3 33.1 18 234 A R H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.932 110.8 44.1 -68.8 -46.4 -12.2 9.1 32.2 19 235 A F H >>S+ 0 0 0 103,-0.3 4,-2.6 2,-0.2 5,-1.9 0.938 113.1 52.3 -62.8 -46.5 -9.6 9.8 34.9 20 236 A Y H <5S+ 0 0 23 -4,-2.5 6,-2.4 49,-0.3 7,-0.5 0.908 116.7 39.1 -55.6 -47.8 -12.3 10.7 37.4 21 237 A R H <5S+ 0 0 166 -4,-2.2 4,-0.3 4,-0.2 -2,-0.2 0.938 127.0 29.6 -69.4 -53.3 -14.2 7.4 36.8 22 238 A Y H <5S+ 0 0 117 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.702 134.6 24.4 -87.5 -23.0 -11.3 4.9 36.4 23 239 A M T <5S+ 0 0 24 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.751 129.4 40.1-106.2 -42.0 -8.5 6.4 38.6 24 240 A G S > - 0 0 88 -3,-2.1 4,-1.8 -7,-0.5 -1,-0.2 -0.950 60.1-149.5-119.6 137.0 -14.7 10.4 44.0 28 244 A E H > S+ 0 0 96 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.897 99.7 53.0 -67.4 -43.3 -13.2 13.9 44.2 29 245 A S H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 110.9 45.3 -59.3 -48.5 -11.0 13.0 47.3 30 246 A T H > S+ 0 0 46 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.902 115.1 49.5 -62.8 -42.6 -9.4 9.9 45.5 31 247 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 -7,-0.4 -2,-0.2 0.941 115.2 40.9 -61.6 -53.9 -8.9 12.0 42.3 32 248 A T H X S+ 0 0 31 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.896 112.4 54.5 -66.7 -40.2 -7.2 15.0 44.0 33 249 A N H X S+ 0 0 94 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.922 108.5 50.1 -59.8 -43.5 -5.1 12.9 46.4 34 250 A Y H X S+ 0 0 38 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.936 116.0 41.5 -57.2 -52.4 -3.6 10.8 43.5 35 251 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.890 113.2 52.2 -66.3 -42.2 -2.7 14.0 41.5 36 252 A I H X S+ 0 0 87 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.932 114.4 43.3 -58.8 -48.4 -1.4 16.0 44.6 37 253 A E H X S+ 0 0 119 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.906 114.2 51.0 -67.2 -40.5 1.0 13.1 45.5 38 254 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.940 112.4 45.0 -60.3 -51.9 2.1 12.5 41.9 39 255 A I H X S+ 0 0 5 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.887 111.6 53.8 -62.1 -39.3 3.0 16.2 41.3 40 256 A D H X S+ 0 0 89 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.904 110.3 46.5 -61.3 -42.0 4.8 16.3 44.7 41 257 A R H X S+ 0 0 74 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.902 114.4 47.3 -67.5 -39.3 6.9 13.3 43.7 42 258 A V H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.6 0.924 108.9 55.6 -64.8 -43.8 7.7 14.8 40.3 43 259 A D H 3X S+ 0 0 4 -4,-3.2 4,-3.3 1,-0.2 5,-0.3 0.871 101.1 58.2 -56.7 -39.6 8.5 18.2 42.0 44 260 A D H 3X S+ 0 0 60 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.866 105.9 49.7 -58.3 -37.5 11.1 16.3 44.2 45 261 A I H << S+ 0 0 30 -4,-1.1 4,-0.4 -3,-0.6 -2,-0.2 0.955 117.2 39.9 -65.3 -50.6 12.9 15.2 41.0 46 262 A Y H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 13,-0.4 0.939 114.9 50.7 -62.8 -52.3 12.9 18.8 39.5 47 263 A R H 3< S+ 0 0 66 -4,-3.3 11,-1.6 1,-0.3 -1,-0.2 0.796 111.4 48.0 -58.8 -36.1 13.7 20.6 42.8 48 264 A N T 3< S+ 0 0 113 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.3 0.470 89.4 105.5 -86.8 -3.2 16.7 18.4 43.6 49 265 A T < - 0 0 17 -3,-1.4 2,-0.9 -4,-0.4 10,-0.4 -0.677 60.7-151.4 -83.1 127.8 18.2 18.8 40.0 50 266 A A > - 0 0 17 -2,-0.4 3,-1.4 1,-0.2 7,-0.2 -0.859 9.6-165.6 -95.9 97.9 21.2 21.0 39.7 51 267 A W T 3 S+ 0 0 4 5,-2.3 187,-0.3 -2,-0.9 -1,-0.2 0.760 90.6 35.3 -58.8 -27.6 20.7 22.2 36.1 52 268 A D T 3 S- 0 0 56 4,-0.4 -1,-0.3 -3,-0.1 3,-0.1 0.202 115.8-111.3-107.3 7.9 24.3 23.6 35.9 53 269 A N S < S+ 0 0 95 -3,-1.4 -2,-0.1 3,-0.2 2,-0.1 0.643 100.0 59.2 65.2 20.4 25.8 20.7 38.1 54 270 A A S S- 0 0 63 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.013 118.2 -29.1-136.2-119.5 26.4 23.4 40.8 55 271 A G S S+ 0 0 52 -3,-0.1 2,-1.8 1,-0.1 -4,-0.0 0.384 95.8 105.1 -94.1 -0.7 24.1 25.8 42.7 56 272 A F + 0 0 17 -55,-0.1 -5,-2.3 2,-0.0 -4,-0.4 -0.566 59.4 108.3 -85.2 76.2 21.4 26.3 40.0 57 273 A K + 0 0 115 -2,-1.8 -7,-0.2 -7,-0.2 -9,-0.1 -0.836 27.7 77.5-139.1 173.6 18.8 24.1 41.8 58 274 A G + 0 0 21 -11,-1.6 2,-0.4 1,-0.3 -11,-0.2 0.497 60.5 134.9 95.5 7.0 15.5 24.5 43.7 59 275 A Y + 0 0 7 -13,-0.4 -1,-0.3 -10,-0.4 -10,-0.3 -0.752 28.1 130.6 -88.7 131.7 13.3 25.0 40.5 60 276 A G E -a 8 0A 0 -53,-1.9 -51,-2.9 -2,-0.4 2,-0.3 -0.766 47.0 -86.3-156.8-158.2 10.1 23.0 40.5 61 277 A I E -a 9 0A 1 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.924 24.3-175.2-131.6 150.4 6.4 22.8 40.1 62 278 A Q E -a 10 0A 37 -53,-1.9 -51,-2.8 -2,-0.3 2,-0.3 -0.987 31.3-112.3-147.6 140.1 3.3 23.3 42.3 63 279 A I E +a 11 0A 46 -2,-0.3 -51,-0.2 -53,-0.2 3,-0.1 -0.567 29.1 176.3 -72.0 128.9 -0.4 22.8 41.7 64 280 A E E S- 0 0 89 -53,-3.1 2,-0.3 1,-0.4 -52,-0.2 0.754 71.5 -0.0 -96.6 -38.5 -2.4 26.1 41.6 65 281 A Q E -a 12 0A 85 -54,-1.4 -52,-2.9 2,-0.0 2,-0.5 -0.981 55.5-151.2-152.5 144.1 -5.8 24.5 40.7 66 282 A I E -a 13 0A 36 -2,-0.3 2,-0.5 -54,-0.2 -52,-0.2 -0.983 14.5-161.3-117.3 116.6 -7.2 21.1 40.1 67 283 A R E -a 14 0A 71 -54,-3.0 -52,-2.8 -2,-0.5 2,-0.6 -0.885 6.3-161.1 -96.3 126.0 -10.2 21.1 37.7 68 284 A I E -a 15 0A 39 -2,-0.5 2,-0.8 -54,-0.2 -52,-0.2 -0.933 5.1-160.6-112.4 112.6 -12.2 17.9 38.1 69 285 A L - 0 0 34 -54,-2.8 -49,-0.3 -2,-0.6 -50,-0.1 -0.831 8.9-175.1 -93.2 104.8 -14.6 17.1 35.1 70 286 A K + 0 0 102 -2,-0.8 -1,-0.2 -50,-0.1 -54,-0.1 0.766 63.6 22.0 -73.5 -29.5 -17.1 14.6 36.6 71 287 A S S S- 0 0 80 -51,-0.0 -54,-0.2 1,-0.0 -53,-0.1 -0.901 94.9 -78.2-136.4 164.2 -19.0 13.8 33.5 72 288 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.290 49.3-107.3 -63.1 150.2 -18.5 13.9 29.7 73 289 A Q - 0 0 83 10,-2.0 12,-0.5 8,-0.1 2,-0.2 -0.672 32.3-128.4 -77.5 122.2 -18.8 17.3 27.9 74 290 A E - 0 0 84 -2,-0.5 2,-0.3 10,-0.1 9,-0.1 -0.548 32.0-168.5 -71.9 134.0 -22.1 17.3 25.9 75 291 A V - 0 0 41 -2,-0.2 3,-0.1 4,-0.1 6,-0.0 -0.941 22.2-119.9-125.6 152.8 -21.4 18.4 22.3 76 292 A K > - 0 0 52 -2,-0.3 3,-2.1 1,-0.1 0, 0.0 -0.503 58.0 -73.3 -80.4 156.2 -23.6 19.5 19.4 77 293 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.282 124.1 14.9 -56.4 135.3 -23.3 17.2 16.2 78 294 A G T 3 S+ 0 0 92 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.158 103.6 113.9 86.0 -17.3 -20.0 17.9 14.5 79 295 A E < - 0 0 95 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 -0.661 48.4-162.2 -87.9 140.6 -18.6 19.7 17.6 80 296 A K + 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.858 12.9 176.2-123.5 157.0 -15.6 18.3 19.5 81 297 A H > - 0 0 32 -2,-0.3 3,-1.8 -8,-0.1 24,-0.1 -0.953 40.4-117.9-154.7 143.9 -14.2 18.9 23.1 82 298 A Y T 3 S+ 0 0 5 22,-0.3 23,-0.1 -2,-0.3 -66,-0.1 0.731 116.2 48.1 -58.7 -25.2 -11.3 17.2 24.9 83 299 A N T 3 S+ 0 0 3 -67,-0.1 -10,-2.0 -66,-0.1 -1,-0.3 0.267 82.6 125.8-100.8 11.3 -13.7 16.0 27.6 84 300 A M S < S- 0 0 1 -3,-1.8 -10,-0.1 -12,-0.3 -67,-0.0 -0.239 70.7-115.4 -66.3 159.1 -16.4 14.6 25.2 85 301 A A S S+ 0 0 65 -12,-0.5 2,-0.1 2,-0.1 -1,-0.1 0.888 92.7 65.2 -64.4 -42.0 -17.6 11.0 25.7 86 302 A K S S- 0 0 89 1,-0.1 2,-0.2 9,-0.0 5,-0.1 -0.462 82.9-118.0 -86.2 156.6 -16.3 9.7 22.3 87 303 A S - 0 0 8 6,-0.4 9,-0.1 4,-0.3 8,-0.1 -0.498 39.8-104.4 -83.0 159.3 -12.7 9.4 21.1 88 304 A Y S S+ 0 0 82 -2,-0.2 9,-2.0 1,-0.1 13,-0.1 -0.996 86.9 4.6-139.6 140.2 -11.6 11.4 18.0 89 305 A P S S+ 0 0 80 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.997 136.4 36.5 -81.3 -12.6 -11.0 10.8 15.0 90 306 A N > - 0 0 78 5,-0.3 3,-1.7 1,-0.1 -3,-0.1 -0.861 61.1-171.4-108.9 104.5 -12.1 7.2 15.4 91 307 A E T 3 S+ 0 0 130 -2,-0.7 -4,-0.3 1,-0.3 -1,-0.1 0.631 84.2 66.3 -64.8 -17.5 -15.1 6.8 17.8 92 308 A E T 3 S+ 0 0 161 -6,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.580 90.1 83.6 -79.5 -12.4 -14.7 2.9 17.7 93 309 A K S < S- 0 0 98 -3,-1.7 -6,-0.4 2,-0.1 35,-0.0 -0.659 82.1-128.5 -94.4 150.9 -11.3 3.2 19.5 94 310 A D S S+ 0 0 74 -2,-0.2 2,-0.3 32,-0.2 33,-0.1 0.786 90.5 40.5 -62.8 -30.5 -10.7 3.6 23.3 95 311 A A S S- 0 0 12 31,-0.4 -5,-0.3 30,-0.1 -2,-0.1 -0.861 77.3-117.3-126.4 159.6 -8.5 6.6 22.7 96 312 A W - 0 0 4 -2,-0.3 2,-0.4 -9,-0.1 32,-0.3 -0.323 52.4 -87.2 -73.7 167.6 -8.1 9.8 20.7 97 313 A D > - 0 0 74 -9,-2.0 4,-2.2 1,-0.1 5,-0.2 -0.702 46.2-132.1 -72.2 125.2 -5.2 10.3 18.4 98 314 A V H > S+ 0 0 24 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.840 101.4 50.5 -55.9 -40.5 -2.7 11.8 21.0 99 315 A K H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 112.0 47.2 -65.7 -43.7 -1.6 14.8 18.9 100 316 A M H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.872 110.7 53.3 -65.7 -37.2 -5.2 15.8 18.1 101 317 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.907 108.5 48.4 -64.0 -45.2 -6.2 15.4 21.8 102 318 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.893 112.8 48.7 -62.0 -39.7 -3.3 17.8 22.9 103 319 A E H X S+ 0 0 77 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.929 113.6 47.4 -64.6 -43.4 -4.4 20.3 20.2 104 320 A Q H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -22,-0.3 0.899 111.3 49.5 -63.9 -47.2 -8.0 20.1 21.4 105 321 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.951 110.8 50.5 -57.8 -48.0 -7.2 20.4 25.0 106 322 A S H < S+ 0 0 0 -4,-2.4 52,-0.5 1,-0.2 4,-0.4 0.883 112.3 48.3 -58.0 -38.5 -5.0 23.5 24.2 107 323 A F H >< S+ 0 0 61 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.930 114.7 43.2 -67.3 -48.9 -8.0 25.0 22.3 108 324 A D H 3< S+ 0 0 38 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.782 118.8 42.9 -70.2 -29.2 -10.6 24.4 25.0 109 325 A I T 3X S+ 0 0 2 -4,-2.4 4,-2.9 -5,-0.2 3,-0.3 0.290 78.8 115.9 -98.0 4.8 -8.4 25.5 27.9 110 326 A A H <> S+ 0 0 4 -3,-0.8 4,-1.5 -4,-0.4 -1,-0.2 0.829 74.7 49.3 -43.5 -50.2 -7.0 28.7 26.2 111 327 A E H 4 S+ 0 0 124 -3,-0.2 3,-0.3 -4,-0.2 4,-0.3 0.935 118.0 39.4 -59.6 -47.9 -8.5 31.3 28.5 112 328 A E H >4 S+ 0 0 52 -3,-0.3 3,-1.3 1,-0.2 -2,-0.2 0.859 111.2 59.3 -69.7 -37.9 -7.3 29.4 31.7 113 329 A A H >< S+ 0 0 1 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.772 95.2 63.4 -63.2 -30.5 -3.9 28.5 30.1 114 330 A S T 3< S+ 0 0 43 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.667 102.5 50.8 -68.1 -18.1 -3.1 32.2 29.5 115 331 A K T < S+ 0 0 143 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 0.347 106.8 59.4-101.6 0.4 -3.1 32.8 33.4 116 332 A V S < S- 0 0 9 -3,-1.1 3,-0.1 -4,-0.2 -105,-0.1 -0.927 77.9-123.4-131.0 158.2 -0.7 29.9 34.4 117 333 A a S S- 0 0 5 -107,-0.7 27,-1.5 -2,-0.3 2,-0.3 0.941 96.5 -3.0 -63.0 -48.3 2.9 28.7 33.8 118 334 A L E -c 11 0A 0 -108,-1.5 -106,-2.5 25,-0.2 2,-0.4 -0.994 56.2-151.4-146.1 152.2 1.5 25.3 32.5 119 335 A A E -cd 12 161A 0 41,-2.5 43,-1.0 -2,-0.3 2,-0.4 -0.962 18.5-169.1-118.7 134.6 -1.7 23.4 32.1 120 336 A H E -cd 13 162A 0 -108,-2.7 -106,-2.6 -2,-0.4 2,-0.4 -0.992 10.2-149.5-131.0 128.7 -1.6 19.5 32.2 121 337 A L E -cd 14 163A 0 41,-2.3 43,-2.5 -2,-0.4 2,-0.5 -0.817 6.2-159.9 -95.4 131.5 -4.4 17.1 31.3 122 338 A F E +cd 15 164A 0 -108,-3.2 -106,-1.9 -2,-0.4 -103,-0.3 -0.950 24.4 164.5-110.4 121.3 -4.7 13.8 33.1 123 339 A T E - d 0 165A 0 41,-2.8 43,-1.6 -2,-0.5 2,-0.3 -0.733 38.1-135.4-129.2 177.2 -6.7 11.2 31.2 124 340 A Y + 0 0 25 41,-0.2 2,-0.3 -2,-0.2 41,-0.1 -0.762 54.2 122.2-138.7 82.5 -7.4 7.4 31.2 125 341 A Q - 0 0 0 -2,-0.3 2,-1.3 42,-0.3 42,-0.4 -0.988 61.9-119.2-146.8 142.9 -7.3 6.2 27.6 126 342 A D - 0 0 41 -2,-0.3 -31,-0.4 42,-0.1 -32,-0.2 -0.695 32.3-153.0 -88.8 87.5 -5.2 3.5 25.8 127 343 A F > - 0 0 3 -2,-1.3 3,-0.9 4,-0.5 42,-0.3 -0.333 31.5 -91.4 -61.0 141.3 -3.3 5.4 23.1 128 344 A D G > S+ 0 0 104 -32,-0.3 3,-1.2 1,-0.2 -1,-0.1 -0.173 102.2 10.4 -56.5 143.7 -2.3 3.3 20.1 129 345 A M G 3 S- 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.730 128.8 -59.3 57.2 36.9 1.1 1.6 20.1 130 346 A G G < S+ 0 0 1 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.520 82.1 158.4 77.9 9.6 2.1 2.1 23.8 131 347 A T < + 0 0 24 -3,-1.2 -4,-0.5 -4,-0.2 -1,-0.2 -0.454 15.9 179.3 -67.4 138.4 2.1 6.0 23.9 132 348 A L - 0 0 9 1,-0.3 33,-2.7 -2,-0.1 2,-0.3 0.620 56.2 -15.4-111.9 -24.5 1.7 7.4 27.4 133 349 A G E -E 164 0A 0 31,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.974 46.6-150.1-167.6 177.3 1.8 11.2 26.9 134 350 A L E +E 163 0A 49 29,-1.5 29,-2.5 -2,-0.3 2,-0.3 -0.964 15.3 173.9-159.8 148.9 2.6 14.3 24.8 135 351 A A E -E 162 0A 14 -2,-0.3 2,-0.3 27,-0.3 27,-0.2 -0.993 30.3-110.4-157.5 155.6 3.6 17.9 25.4 136 352 A Y S S+ 0 0 46 25,-2.2 55,-0.2 -2,-0.3 5,-0.2 -0.672 75.6 55.0 -86.8 150.4 4.7 21.1 23.6 137 353 A G 0 0 16 3,-0.6 5,-0.2 -2,-0.3 52,-0.1 -0.126 360.0 360.0 108.4 155.7 8.3 22.3 23.9 138 354 A G 0 0 62 3,-0.2 56,-0.3 51,-0.2 51,-0.1 0.904 360.0 360.0 59.2 360.0 11.7 20.7 23.2 139 ! 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 0.0 140 361 A H 0 0 112 0, 0.0 -3,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 50.6 7.5 26.2 20.1 141 362 A G + 0 0 24 -5,-0.2 -3,-0.2 2,-0.1 2,-0.2 -0.675 360.0 118.8 109.6-163.0 5.8 26.2 23.5 142 363 A G S S+ 0 0 0 17,-2.8 48,-0.2 -2,-0.2 4,-0.2 -0.629 71.0 23.9 95.8-154.5 6.4 24.8 26.9 143 364 A V S S+ 0 0 5 46,-2.5 -25,-0.2 -2,-0.2 -2,-0.1 -0.105 113.1 26.6 -49.6 137.2 6.7 26.8 30.1 144 365 A b S S- 0 0 4 -27,-1.5 -27,-0.1 16,-0.1 15,-0.1 0.692 103.5 -79.6 75.9 122.3 5.0 30.3 30.1 145 366 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.330 48.1-174.5 -59.0 123.4 2.0 30.8 27.7 146 367 A K - 0 0 107 -4,-0.2 13,-2.0 -2,-0.1 2,-0.1 -0.992 23.1-126.2-117.9 123.2 3.1 31.5 24.1 147 368 A A E -F 158 0B 56 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.411 24.3-176.6 -72.6 147.9 0.3 32.3 21.7 148 369 A Y E -F 157 0B 118 9,-2.2 9,-2.6 -2,-0.1 2,-0.7 -0.975 24.7-133.8-140.3 121.1 -0.4 30.5 18.5 149 370 A Y E -F 156 0B 112 -2,-0.4 7,-0.2 7,-0.2 3,-0.1 -0.719 18.4-148.1 -80.2 117.0 -3.1 31.8 16.2 150 371 A S E >> -F 155 0B 19 5,-2.6 4,-2.3 -2,-0.7 5,-0.8 -0.766 10.2-166.6 -86.4 110.7 -5.2 28.8 15.1 151 372 A P T 45S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.891 94.8 42.6 -65.2 -34.9 -6.5 29.4 11.6 152 373 A V T 45S+ 0 0 142 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.928 120.0 43.4 -71.4 -45.5 -8.9 26.4 12.0 153 374 A G T 45S- 0 0 22 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.679 97.5-141.7 -72.8 -23.5 -9.8 27.5 15.6 154 375 A K T <5S+ 0 0 156 -4,-2.3 2,-0.3 1,-0.2 -2,-0.1 0.698 70.8 65.1 63.7 27.9 -10.1 31.2 14.7 155 376 A K E -G 171 0C 16 3,-2.4 3,-1.0 -2,-0.4 -42,-0.1 -0.939 66.3 -5.3-152.8 127.5 -1.6 1.4 28.8 169 390 A Y T 3 S- 0 0 152 -2,-0.3 3,-0.1 -42,-0.3 -1,-0.1 0.919 129.6 -50.9 54.7 50.2 -2.3 -2.0 27.2 170 391 A G T 3 S+ 0 0 54 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.514 120.4 81.3 71.6 10.6 -5.7 -2.4 28.9 171 392 A K E < S-G 168 0C 114 -3,-1.0 -3,-2.4 0, 0.0 2,-0.3 -0.966 83.9 -94.4-144.1 162.5 -4.6 -1.7 32.5 172 393 A T E -G 167 0C 59 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.577 46.5-125.0 -71.0 130.0 -3.7 1.0 35.0 173 394 A I - 0 0 12 -7,-2.5 -1,-0.1 -2,-0.3 -7,-0.0 -0.353 32.7 -92.0 -71.4 157.4 0.0 1.7 34.9 174 395 A L > - 0 0 85 1,-0.1 4,-2.5 -2,-0.0 3,-0.4 -0.288 31.1-118.6 -62.4 153.4 2.0 1.5 38.3 175 396 A T H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 118.5 58.1 -63.7 -35.1 2.3 4.8 40.2 176 397 A K H > S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.839 110.1 44.1 -60.3 -31.8 6.1 4.5 39.7 177 398 A E H > S+ 0 0 63 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.892 110.8 53.3 -77.2 -44.0 5.4 4.4 35.9 178 399 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.880 104.9 55.4 -59.2 -41.0 2.9 7.3 36.1 179 400 A D H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 108.4 48.8 -56.6 -44.2 5.5 9.5 37.9 180 401 A L H X S+ 0 0 37 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.842 108.0 54.4 -66.7 -37.1 8.0 8.9 35.0 181 402 A V H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.967 113.0 40.9 -59.2 -56.5 5.3 9.8 32.3 182 403 A T H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.904 114.1 53.2 -62.7 -39.1 4.5 13.2 33.9 183 404 A T H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.930 111.7 46.9 -59.6 -46.5 8.2 13.9 34.6 184 405 A H H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.896 114.6 45.3 -61.0 -47.8 9.0 13.2 30.9 185 406 A E H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.915 113.9 47.9 -66.9 -43.1 6.1 15.4 29.5 186 407 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.805 105.9 62.0 -65.3 -28.4 7.0 18.3 31.9 187 408 A G H <>S+ 0 0 0 -4,-1.7 5,-2.6 -5,-0.3 -2,-0.2 0.902 103.5 47.1 -62.2 -42.3 10.6 17.8 30.7 188 409 A H H ><5S+ 0 0 14 -4,-1.6 3,-1.8 3,-0.2 -2,-0.2 0.930 111.1 52.5 -62.8 -44.6 9.5 18.6 27.2 189 410 A N H 3<5S+ 0 0 2 -4,-1.9 -46,-2.5 1,-0.3 -2,-0.2 0.850 106.5 53.2 -57.5 -39.2 7.6 21.7 28.6 190 411 A F T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -48,-0.2 50,-0.2 0.413 131.6 -95.0 -77.0 -0.1 10.8 22.7 30.4 191 412 A G T < 5S+ 0 0 17 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.368 76.0 140.1 105.5 -0.3 12.7 22.6 27.0 192 413 A A < - 0 0 0 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.2 -0.520 34.5-155.2 -79.4 142.8 14.3 19.1 26.9 193 414 A E - 0 0 130 -2,-0.2 2,-0.1 1,-0.1 43,-0.1 -0.499 42.6 -72.0 -97.3 176.6 14.3 17.0 23.7 194 415 A H - 0 0 76 -56,-0.3 21,-0.2 -2,-0.2 -1,-0.1 -0.416 52.7-105.2 -69.7 147.4 14.6 13.2 23.7 195 416 A D - 0 0 5 19,-1.5 2,-0.2 17,-0.1 -1,-0.1 -0.589 40.1-132.3 -70.9 125.4 18.0 11.7 24.8 196 417 A P > - 0 0 60 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.627 7.1-132.8 -85.7 147.4 19.7 10.3 21.6 197 418 A D T 3 S+ 0 0 118 1,-0.3 6,-0.2 -2,-0.2 5,-0.0 0.823 102.3 70.7 -58.5 -34.2 21.3 6.8 21.3 198 419 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 4,-0.1 -1,-0.3 0.490 88.9 64.4 -63.4 -9.9 24.4 8.5 19.7 199 420 A L X> - 0 0 93 -3,-1.5 3,-1.4 1,-0.1 4,-1.0 -0.871 64.5-171.0-120.7 93.8 25.4 10.1 23.0 200 421 A A T 34 S+ 0 0 76 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.819 85.6 61.0 -52.3 -37.5 26.3 7.3 25.5 201 422 A E T 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 30,-0.3 0.835 113.6 37.6 -58.0 -36.2 26.6 9.8 28.4 202 423 A c T <4 S+ 0 0 0 -3,-1.4 10,-0.5 1,-0.2 -1,-0.2 0.531 127.3 33.7 -94.9 -11.8 22.9 10.7 27.8 203 424 A A S < S- 0 0 8 -4,-1.0 -1,-0.2 -3,-0.4 8,-0.2 -0.571 84.1-174.5-140.8 69.5 21.6 7.1 27.0 204 425 A P - 0 0 13 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.187 28.0 -99.9 -70.2 164.2 23.7 4.6 29.1 205 426 A N > > - 0 0 118 5,-0.1 5,-2.2 1,-0.1 3,-1.5 -0.342 41.5 -99.2 -73.5 161.7 23.6 0.8 28.9 206 427 A E G > 5S+ 0 0 68 1,-0.3 3,-0.6 3,-0.2 -1,-0.1 0.735 124.7 49.3 -54.6 -31.2 21.6 -1.2 31.6 207 428 A D G 3 5S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.600 103.9 60.4 -85.1 -14.0 24.7 -1.9 33.7 208 429 A Q G < 5S- 0 0 154 -3,-1.5 -1,-0.2 16,-0.0 -2,-0.2 0.140 138.6 -78.9 -96.9 15.8 25.7 1.8 33.6 209 430 A G T < 5 - 0 0 16 -3,-0.6 16,-2.6 15,-0.1 17,-0.4 0.304 68.9-110.5 104.5 -4.7 22.4 2.7 35.4 210 431 A G < - 0 0 4 -5,-2.2 -5,-0.1 14,-0.2 -4,-0.1 -0.214 59.6 -21.1 78.0-167.2 20.1 2.5 32.3 211 432 A K - 0 0 48 8,-0.2 17,-0.2 -8,-0.2 2,-0.1 -0.310 58.5-123.0 -78.1 155.5 18.3 5.3 30.5 212 433 A Y > - 0 0 45 -10,-0.5 3,-1.7 15,-0.1 14,-0.2 -0.418 38.8 -92.1 -89.7 170.7 17.4 8.8 31.8 213 434 A V T 3 S+ 0 0 11 15,-2.8 16,-0.1 12,-0.5 -29,-0.1 0.770 120.1 60.1 -56.9 -32.9 13.8 10.2 32.0 214 435 A M T 3 S+ 0 0 0 14,-0.3 -19,-1.5 -12,-0.1 -1,-0.3 0.329 72.4 123.9 -83.5 11.1 14.0 11.9 28.5 215 436 A Y < - 0 0 34 -3,-1.7 4,-0.1 -21,-0.2 -12,-0.0 -0.404 68.0-129.3 -66.0 140.8 14.6 8.6 26.6 216 437 A P S S+ 0 0 40 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.744 88.9 69.2 -68.3 -22.3 11.9 8.1 24.0 217 438 A I S S- 0 0 86 2,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.861 83.5-129.3-101.0 129.0 11.0 4.6 25.1 218 439 A A - 0 0 37 -2,-0.4 2,-0.3 -88,-0.2 -5,-0.0 -0.661 34.5-176.5 -74.1 108.3 9.3 3.9 28.5 219 440 A V - 0 0 54 -2,-0.7 2,-1.1 -4,-0.1 4,-0.2 -0.583 45.2 -74.1-122.0 74.0 11.7 1.2 29.7 220 441 A S - 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 -43,-0.0 -0.576 46.2-122.7 87.1 -71.7 10.7 -0.3 33.2 221 442 A G S S+ 0 0 23 -2,-1.1 -1,-0.2 -41,-0.0 6,-0.1 0.270 86.1 95.3 113.6 -6.8 11.3 2.1 36.0 222 443 A D + 0 0 112 -3,-0.1 2,-0.2 4,-0.1 -2,-0.1 0.458 58.9 98.5 -94.1 -5.8 13.7 0.0 38.2 223 444 A H S > S- 0 0 70 -4,-0.2 3,-1.1 1,-0.1 4,-0.4 -0.605 80.2-116.8 -89.0 148.8 17.1 1.3 36.9 224 445 A E G > S+ 0 0 78 1,-0.2 3,-0.5 -2,-0.2 -14,-0.2 0.817 111.3 44.2 -48.0 -47.4 19.1 4.0 38.8 225 446 A N G > S+ 0 0 14 -16,-2.6 3,-1.8 1,-0.2 -12,-0.5 0.628 87.6 92.5 -76.8 -18.8 19.0 6.7 36.0 226 447 A N G < S+ 0 0 14 -3,-1.1 -1,-0.2 -17,-0.4 -2,-0.1 0.770 89.0 43.1 -47.9 -40.4 15.3 6.3 35.2 227 448 A K G < S+ 0 0 48 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.3 -0.086 106.6 79.2 -99.5 29.5 14.1 9.0 37.6 228 449 A M S < S- 0 0 84 -3,-1.8 -15,-2.8 -17,-0.2 2,-0.3 -0.947 77.5-116.1-134.7 157.0 16.9 11.5 36.7 229 450 A F - 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