==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-10 3LE9 . COMPND 2 MOLECULE: DISINTEGRIN AND METALLOPROTEINASE DOMAIN-CONTAINI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH . 503 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 62.6 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 6.0 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 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 1 218 A P 0 0 70 0, 0.0 5,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 129.5 18.3 31.5 41.0 2 219 A D > - 0 0 57 3,-0.4 3,-1.7 1,-0.1 0, 0.0 -0.783 360.0-159.8 -87.7 113.0 15.5 33.9 42.0 3 220 A P T 3 S+ 0 0 89 0, 0.0 248,-0.6 0, 0.0 3,-0.5 0.716 94.0 56.8 -66.3 -17.1 13.5 32.4 45.0 4 221 A M T 3 S+ 0 0 47 1,-0.2 246,-0.3 246,-0.2 3,-0.1 0.517 116.7 35.1 -86.3 -9.7 10.6 34.6 44.1 5 222 A K S < S+ 0 0 73 -3,-1.7 -3,-0.4 244,-0.1 -1,-0.2 -0.489 86.3 103.4-140.8 60.6 10.5 33.1 40.5 6 223 A N + 0 0 26 243,-1.5 53,-1.9 -3,-0.5 2,-0.4 0.379 61.0 75.7-125.1 2.4 11.4 29.5 40.9 7 224 A T E -aB 59 249A 0 242,-2.1 242,-2.8 51,-0.2 2,-0.7 -0.975 61.5-146.3-126.3 131.6 8.2 27.5 40.6 8 225 A a E -a 60 0A 0 51,-2.8 53,-1.8 -2,-0.4 2,-0.3 -0.866 25.7-145.8 -93.8 109.0 6.1 26.6 37.5 9 226 A K E -a 61 0A 19 -2,-0.7 108,-1.6 238,-0.4 107,-0.8 -0.643 16.7-147.2 -79.1 135.6 2.4 26.7 38.8 10 227 A L E -ac 62 117A 0 51,-2.7 53,-2.8 -2,-0.3 54,-1.6 -0.821 20.4-149.3-111.2 144.3 0.1 24.1 37.1 11 228 A L E -ac 64 118A 1 106,-2.5 108,-2.8 -2,-0.4 2,-0.5 -0.942 29.7-162.3 -98.5 118.0 -3.5 23.9 36.2 12 229 A V E -ac 65 119A 0 52,-3.2 54,-3.0 -2,-0.7 2,-0.5 -0.930 4.3-164.6-106.7 130.5 -4.1 20.1 36.5 13 230 A V E -ac 66 120A 0 106,-2.9 108,-3.4 -2,-0.5 2,-0.6 -0.966 9.3-165.7-119.7 126.1 -7.1 18.7 34.8 14 231 A A E -ac 67 121A 0 52,-2.8 54,-2.8 -2,-0.5 108,-0.2 -0.935 19.8-149.1-104.0 116.6 -8.6 15.2 35.5 15 232 A D > - 0 0 0 106,-2.0 4,-2.7 -2,-0.6 5,-0.2 -0.229 32.7 -93.7 -77.8 175.1 -11.1 14.3 32.7 16 233 A H H > S+ 0 0 25 54,-0.2 4,-2.3 1,-0.2 5,-0.2 0.804 126.4 55.0 -56.9 -32.0 -14.2 12.1 33.2 17 234 A R H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.937 111.1 43.2 -67.6 -47.2 -12.2 9.0 32.2 18 235 A F H >>S+ 0 0 0 103,-0.3 4,-2.6 2,-0.2 5,-1.8 0.908 113.7 52.6 -62.8 -45.6 -9.5 9.7 34.9 19 236 A Y H <5S+ 0 0 27 -4,-2.7 6,-2.2 49,-0.3 7,-0.6 0.918 116.2 39.2 -57.3 -47.2 -12.3 10.5 37.5 20 237 A R H <5S+ 0 0 163 -4,-2.3 4,-0.4 4,-0.2 -2,-0.2 0.939 127.1 30.0 -70.0 -53.3 -14.1 7.2 36.8 21 238 A Y H <5S+ 0 0 128 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.700 133.4 25.5 -87.5 -23.7 -11.1 4.8 36.4 22 239 A M T <5S+ 0 0 28 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.752 129.2 39.9-105.3 -39.6 -8.4 6.3 38.6 23 240 A G S > - 0 0 103 -3,-2.1 4,-2.0 -7,-0.6 -1,-0.2 -0.980 59.3-150.3-125.8 133.2 -14.5 10.2 44.0 27 244 A E H > S+ 0 0 99 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.891 99.9 52.1 -62.3 -43.4 -13.0 13.7 44.1 28 245 A S H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.935 111.6 45.7 -61.8 -46.9 -10.8 12.8 47.2 29 246 A T H > S+ 0 0 54 -6,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.894 115.3 49.2 -62.2 -42.1 -9.3 9.7 45.5 30 247 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 -7,-0.4 -2,-0.2 0.935 115.2 41.0 -61.4 -55.9 -8.8 11.7 42.2 31 248 A T H X S+ 0 0 22 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.890 112.6 54.0 -64.7 -42.5 -7.1 14.8 43.8 32 249 A N H X S+ 0 0 91 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.902 108.3 50.8 -58.5 -45.2 -4.9 12.7 46.3 33 250 A Y H X S+ 0 0 36 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.931 116.0 41.6 -55.6 -50.0 -3.5 10.6 43.4 34 251 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.885 112.8 52.2 -67.4 -42.4 -2.6 13.9 41.4 35 252 A I H X S+ 0 0 87 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.911 114.2 43.8 -58.8 -46.3 -1.2 15.8 44.4 36 253 A E H X S+ 0 0 117 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.899 113.4 50.8 -72.1 -39.5 1.1 12.9 45.3 37 254 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.948 112.2 45.7 -61.6 -51.3 2.2 12.3 41.7 38 255 A I H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.876 111.1 53.6 -60.5 -40.2 3.1 16.0 41.1 39 256 A D H X S+ 0 0 87 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.936 110.8 45.8 -60.9 -44.3 4.9 16.2 44.5 40 257 A R H X S+ 0 0 70 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.888 113.8 48.5 -67.3 -36.2 7.1 13.2 43.5 41 258 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 3,-0.4 0.920 108.5 55.6 -65.3 -41.4 7.7 14.7 40.0 42 259 A D H X S+ 0 0 3 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.906 100.3 59.6 -56.1 -41.7 8.6 18.0 41.8 43 260 A D H X S+ 0 0 58 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.879 105.8 47.9 -54.5 -41.5 11.3 16.1 43.9 44 261 A I H < S+ 0 0 16 -4,-1.2 4,-0.3 -3,-0.4 -1,-0.2 0.956 118.4 40.5 -64.4 -48.9 13.1 15.1 40.6 45 262 A Y H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 13,-0.4 0.946 113.7 49.9 -64.7 -54.1 12.9 18.8 39.3 46 263 A R H 3< S+ 0 0 64 -4,-3.4 11,-2.0 1,-0.3 12,-0.2 0.816 112.9 48.9 -59.1 -33.6 13.7 20.7 42.5 47 264 A N T 3< S+ 0 0 110 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.3 0.459 87.8 106.0 -86.5 -4.3 16.8 18.4 43.1 48 265 A T < - 0 0 5 -3,-1.6 2,-0.9 -4,-0.3 10,-0.4 -0.685 61.5-150.0 -82.1 129.3 18.2 18.8 39.6 49 266 A A > - 0 0 18 -2,-0.4 3,-0.9 7,-0.1 7,-0.2 -0.871 10.2-165.7 -96.7 97.7 21.2 21.1 39.2 50 267 A W T 3 S+ 0 0 4 5,-2.3 187,-0.3 -2,-0.9 -1,-0.1 0.719 90.9 31.6 -60.9 -25.1 20.6 22.4 35.6 51 268 A D T 3 S- 0 0 56 4,-0.4 -1,-0.2 186,-0.1 3,-0.1 0.283 114.2-111.9-111.3 2.7 24.3 23.7 35.4 52 269 A N S < S+ 0 0 93 -3,-0.9 -2,-0.1 3,-0.2 2,-0.1 0.604 99.5 65.6 69.4 19.3 25.8 21.0 37.7 53 270 A A S S- 0 0 58 2,-0.1 -1,-0.2 372,-0.0 372,-0.0 0.071 117.4 -36.9-130.3-122.8 26.4 23.7 40.3 54 271 A G S S+ 0 0 49 -3,-0.1 2,-1.5 1,-0.1 -5,-0.0 0.202 95.5 108.7-100.5 12.7 24.0 25.9 42.4 55 272 A F + 0 0 27 2,-0.0 -5,-2.3 3,-0.0 -4,-0.4 -0.629 57.8 105.1 -93.6 76.0 21.3 26.4 39.7 56 273 A K + 0 0 117 -2,-1.5 -9,-0.2 -7,-0.2 -7,-0.1 -0.798 26.6 81.7-140.2 177.7 18.8 24.1 41.4 57 274 A G + 0 0 22 -11,-2.0 2,-0.5 1,-0.3 -11,-0.2 0.493 58.8 137.0 91.8 7.6 15.5 24.5 43.4 58 275 A Y + 0 0 8 -13,-0.4 -1,-0.3 -10,-0.4 -10,-0.3 -0.768 28.3 139.7 -88.0 126.2 13.3 24.9 40.3 59 276 A G E -a 7 0A 0 -53,-1.9 -51,-2.8 -2,-0.5 2,-0.3 -0.654 44.0 -96.0-146.6-160.9 10.1 23.0 40.5 60 277 A I E -a 8 0A 1 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.972 24.9-179.3-132.3 148.3 6.4 22.6 39.9 61 278 A Q E -a 9 0A 38 -53,-1.8 -51,-2.7 -2,-0.3 2,-0.4 -0.995 32.2-110.5-146.4 148.0 3.4 23.1 42.1 62 279 A I E +a 10 0A 46 -2,-0.3 -51,-0.2 -53,-0.2 3,-0.1 -0.666 28.4 176.0 -80.0 128.4 -0.3 22.6 41.6 63 280 A E E S+ 0 0 91 -53,-2.8 2,-0.3 -2,-0.4 -52,-0.2 0.822 72.4 1.0 -92.7 -42.2 -2.3 25.9 41.5 64 281 A Q E -a 11 0A 82 -54,-1.6 -52,-3.2 2,-0.0 2,-0.5 -0.993 55.0-150.4-148.6 144.3 -5.7 24.3 40.7 65 282 A I E -a 12 0A 35 -2,-0.3 2,-0.5 -54,-0.2 -52,-0.2 -0.959 14.3-159.9-113.0 112.2 -7.2 20.9 40.0 66 283 A R E -a 13 0A 67 -54,-3.0 -52,-2.8 -2,-0.5 2,-0.6 -0.798 8.5-161.2 -89.7 129.7 -10.1 20.9 37.6 67 284 A I E -a 14 0A 40 -2,-0.5 2,-1.0 -54,-0.2 -52,-0.2 -0.952 6.2-162.2-118.1 110.6 -12.2 17.7 38.1 68 285 A L - 0 0 35 -54,-2.8 -49,-0.3 -2,-0.6 -50,-0.1 -0.820 9.1-178.5 -95.7 99.1 -14.5 16.7 35.3 69 286 A K + 0 0 115 -2,-1.0 -1,-0.2 -50,-0.1 -54,-0.1 0.764 64.8 25.4 -71.9 -27.6 -16.9 14.3 36.9 70 287 A S S S- 0 0 80 -51,-0.0 -54,-0.2 1,-0.0 -53,-0.1 -0.899 94.2 -81.8-135.4 162.4 -19.0 13.6 33.7 71 288 A P - 0 0 56 0, 0.0 2,-0.6 0, 0.0 12,-0.3 -0.306 48.6-107.9 -64.4 150.1 -18.5 13.7 29.9 72 289 A Q - 0 0 88 10,-2.4 12,-0.4 8,-0.1 2,-0.2 -0.689 32.5-128.3 -78.9 119.5 -18.8 17.0 28.2 73 290 A E - 0 0 179 -2,-0.6 2,-0.3 10,-0.1 9,-0.1 -0.485 31.0-166.1 -69.4 135.1 -22.1 17.1 26.2 74 291 A V - 0 0 59 -2,-0.2 3,-0.1 4,-0.1 5,-0.1 -0.940 20.8-118.0-126.2 151.0 -21.5 18.2 22.6 75 292 A K > - 0 0 152 -2,-0.3 3,-2.5 1,-0.1 0, 0.0 -0.460 59.2 -72.7 -76.3 155.9 -23.7 19.3 19.7 76 293 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.302 124.6 11.1 -54.7 130.2 -23.7 17.0 16.5 77 294 A G T 3 S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.316 103.0 114.9 82.7 -6.6 -20.3 17.6 14.8 78 295 A E < - 0 0 92 -3,-2.5 2,-0.3 2,-0.0 -1,-0.2 -0.743 49.1-157.3 -94.6 143.0 -18.8 19.6 17.8 79 296 A K + 0 0 71 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.853 14.8 176.6-122.1 157.3 -15.8 18.1 19.7 80 297 A H > - 0 0 37 -2,-0.3 3,-1.8 -8,-0.1 24,-0.1 -0.963 39.1-120.9-153.2 144.3 -14.3 18.7 23.2 81 298 A Y T 3 S+ 0 0 5 -2,-0.3 23,-0.1 22,-0.3 14,-0.1 0.769 115.1 49.6 -61.4 -25.7 -11.4 17.0 24.9 82 299 A N T 3 S+ 0 0 4 -67,-0.1 -10,-2.4 -9,-0.1 -1,-0.3 0.224 83.7 125.0 -95.4 10.7 -13.8 15.8 27.7 83 300 A M S < S- 0 0 13 -3,-1.8 -10,-0.1 -12,-0.3 -67,-0.0 -0.256 70.4-116.9 -69.2 161.3 -16.5 14.4 25.4 84 301 A A S S+ 0 0 68 -12,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.891 92.3 67.5 -65.0 -45.0 -17.7 10.7 25.8 85 302 A K S S- 0 0 42 1,-0.1 2,-0.1 9,-0.0 -2,-0.1 -0.515 82.6-120.6 -82.5 149.4 -16.5 9.5 22.4 86 303 A S - 0 0 8 6,-0.4 9,-0.1 4,-0.3 8,-0.1 -0.459 39.9-106.0 -77.9 158.4 -12.9 9.2 21.2 87 304 A Y S S+ 0 0 86 2,-0.1 9,-1.9 1,-0.1 13,-0.1 -0.994 87.4 6.2-137.3 138.5 -11.9 11.2 18.1 88 305 A P S S+ 0 0 78 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.999 136.9 36.4 -83.6 -7.9 -11.3 10.7 15.1 89 306 A N > - 0 0 75 5,-0.3 3,-2.0 1,-0.1 -3,-0.2 -0.853 61.5-171.6-112.0 99.1 -12.4 7.0 15.5 90 307 A E T 3 S+ 0 0 147 -2,-0.7 -4,-0.3 1,-0.3 -1,-0.1 0.620 84.5 65.0 -61.1 -15.4 -15.3 6.7 18.0 91 308 A E T 3 S+ 0 0 160 -6,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.590 89.9 82.2 -83.9 -12.2 -14.9 2.9 17.9 92 309 A K S < S- 0 0 89 -3,-2.0 -6,-0.4 2,-0.1 -3,-0.0 -0.639 83.5-124.5 -94.9 151.0 -11.5 3.1 19.6 93 310 A D S S+ 0 0 69 -2,-0.2 2,-0.3 32,-0.2 33,-0.1 0.785 90.9 37.8 -60.7 -32.9 -10.8 3.4 23.3 94 311 A A S S- 0 0 8 31,-0.4 -5,-0.3 30,-0.2 -2,-0.1 -0.864 77.8-114.3-127.3 157.7 -8.6 6.5 22.7 95 312 A W - 0 0 4 -2,-0.3 2,-0.4 -9,-0.1 32,-0.3 -0.300 53.2 -87.0 -68.8 167.1 -8.3 9.7 20.7 96 313 A D > - 0 0 75 -9,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.715 47.5-129.9 -73.1 127.0 -5.4 10.1 18.3 97 314 A V H > S+ 0 0 22 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.853 101.9 49.7 -55.5 -42.4 -2.9 11.6 20.9 98 315 A K H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.1 48.2 -64.2 -43.3 -1.8 14.7 18.8 99 316 A M H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 110.6 52.0 -66.7 -35.2 -5.5 15.7 18.1 100 317 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.910 109.2 48.3 -67.9 -44.0 -6.3 15.3 21.8 101 318 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 114.0 47.4 -63.0 -42.3 -3.4 17.6 22.9 102 319 A E H X S+ 0 0 88 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.917 113.8 48.2 -62.1 -45.4 -4.5 20.2 20.3 103 320 A Q H X S+ 0 0 19 -4,-2.4 4,-2.9 2,-0.2 -22,-0.3 0.904 111.3 49.2 -61.0 -46.5 -8.2 19.9 21.4 104 321 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.952 111.0 50.4 -57.7 -47.8 -7.3 20.2 25.1 105 322 A S H < S+ 0 0 0 -4,-2.5 52,-0.5 1,-0.2 4,-0.4 0.888 112.5 48.3 -60.3 -38.7 -5.2 23.3 24.3 106 323 A F H >< S+ 0 0 58 -4,-2.2 3,-1.0 1,-0.2 4,-0.2 0.953 114.6 42.9 -65.1 -54.5 -8.1 24.8 22.4 107 324 A D H 3< S+ 0 0 37 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.762 119.8 42.3 -64.4 -29.1 -10.7 24.2 25.1 108 325 A I T 3X S+ 0 0 1 -4,-2.2 4,-3.0 -5,-0.2 3,-0.3 0.279 79.2 116.0-101.4 7.3 -8.5 25.3 28.0 109 326 A A H <> S+ 0 0 4 -3,-1.0 4,-1.8 -4,-0.4 -1,-0.2 0.828 73.6 50.7 -47.3 -46.4 -7.0 28.4 26.2 110 327 A E H 4 S+ 0 0 127 -4,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.941 117.5 39.8 -60.8 -47.8 -8.6 31.0 28.6 111 328 A E H >4 S+ 0 0 49 -3,-0.3 3,-1.5 1,-0.2 -2,-0.2 0.881 111.6 57.1 -68.3 -40.6 -7.2 29.2 31.7 112 329 A A H >< S+ 0 0 1 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.834 96.0 65.2 -63.6 -30.7 -3.9 28.3 30.1 113 330 A S T 3< S+ 0 0 44 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.649 104.1 47.5 -63.7 -17.0 -3.1 32.0 29.4 114 331 A K T < S+ 0 0 129 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.368 106.8 61.4-106.7 0.6 -3.0 32.6 33.2 115 332 A V S < S- 0 0 9 -3,-1.4 3,-0.1 -4,-0.2 -105,-0.1 -0.913 77.7-122.6-129.7 159.3 -0.7 29.7 34.3 116 333 A a S S- 0 0 4 -107,-0.8 27,-1.8 -2,-0.3 2,-0.3 0.958 96.4 -4.1 -61.9 -48.4 2.8 28.5 33.7 117 334 A L E -c 10 0A 0 -108,-1.6 -106,-2.5 25,-0.2 2,-0.4 -0.991 56.1-150.3-145.9 150.9 1.5 25.1 32.4 118 335 A A E -cd 11 160A 0 41,-2.4 43,-1.0 -2,-0.3 2,-0.4 -0.961 19.4-168.2-115.9 139.0 -1.8 23.2 32.0 119 336 A H E -cd 12 161A 0 -108,-2.8 -106,-2.9 -2,-0.4 2,-0.5 -0.992 10.2-149.1-135.3 126.1 -1.6 19.4 32.2 120 337 A L E -cd 13 162A 0 41,-2.6 43,-2.6 -2,-0.4 2,-0.5 -0.842 6.6-162.3 -91.6 131.3 -4.4 16.9 31.2 121 338 A F E +cd 14 163A 0 -108,-3.4 -106,-2.0 -2,-0.5 -103,-0.3 -0.950 24.1 163.0-112.4 121.9 -4.6 13.6 33.1 122 339 A T E - 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0 0 12 -7,-2.3 -1,-0.1 -2,-0.3 2,-0.0 -0.352 32.6 -92.1 -70.7 157.9 0.1 1.6 34.7 173 395 A L >> - 0 0 83 1,-0.1 4,-2.4 -2,-0.0 3,-0.6 -0.360 30.9-117.8 -65.7 152.1 2.1 1.4 38.0 174 396 A T H 3> S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 118.4 58.5 -60.4 -34.5 2.4 4.7 40.0 175 397 A K H 3> S+ 0 0 98 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.846 109.3 43.8 -63.4 -32.5 6.2 4.4 39.4 176 398 A E H <> S+ 0 0 57 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.866 110.8 54.3 -75.5 -42.6 5.5 4.4 35.6 177 399 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.908 104.8 54.7 -59.3 -40.7 3.0 7.2 35.8 178 400 A D H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.869 108.9 49.3 -57.2 -42.3 5.6 9.4 37.6 179 401 A L H X S+ 0 0 5 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.868 108.2 52.1 -67.5 -40.5 8.0 8.8 34.7 180 402 A V H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.969 113.2 43.6 -58.7 -57.2 5.4 9.7 32.0 181 403 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.901 113.7 51.8 -59.1 -39.6 4.5 13.1 33.7 182 404 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.923 112.2 46.4 -60.1 -47.1 8.3 13.8 34.3 183 405 A H H X S+ 0 0 23 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.906 114.5 46.8 -60.1 -47.0 9.0 13.1 30.5 184 406 A E H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.2 3,-0.2 0.943 114.8 45.3 -63.6 -48.2 6.1 15.3 29.3 185 407 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.803 106.8 62.3 -64.6 -28.8 7.0 18.2 31.7 186 408 A G H <>S+ 0 0 0 -4,-1.7 5,-2.5 -5,-0.3 4,-0.2 0.921 104.4 46.2 -60.4 -44.0 10.6 17.6 30.5 187 409 A H H ><5S+ 0 0 19 -4,-1.7 3,-1.8 3,-0.2 -2,-0.2 0.932 111.1 53.3 -64.5 -42.4 9.5 18.5 26.9 188 410 A N H 3<5S+ 0 0 2 -4,-2.1 -46,-2.4 1,-0.3 -2,-0.2 0.868 105.9 52.8 -59.1 -39.2 7.6 21.5 28.4 189 411 A F T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -48,-0.2 50,-0.2 0.474 131.2 -96.3 -75.9 -2.6 10.8 22.6 30.1 190 412 A G T < 5S+ 0 0 18 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.355 75.5 140.0 107.9 -1.7 12.6 22.4 26.7 191 413 A A < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.2 -0.526 34.1-156.0 -77.2 142.0 14.3 19.0 26.6 192 414 A E - 0 0 130 -2,-0.2 43,-0.1 1,-0.2 21,-0.1 -0.439 42.9 -67.8 -99.2 175.6 14.3 16.9 23.5 193 415 A H - 0 0 88 -56,-0.2 21,-0.2 -2,-0.2 -1,-0.2 -0.399 53.0-107.6 -66.0 145.8 14.7 13.1 23.5 194 416 A D - 0 0 3 19,-1.7 2,-0.3 17,-0.1 -1,-0.1 -0.623 38.7-133.2 -70.7 128.8 18.1 11.6 24.6 195 417 A P > - 0 0 59 0, 0.0 3,-1.6 0, 0.0 6,-0.2 -0.637 8.8-134.8 -90.4 147.2 19.9 10.3 21.5 196 418 A D T 3 S+ 0 0 118 -2,-0.3 6,-0.2 1,-0.3 5,-0.0 0.848 102.4 70.7 -58.5 -36.2 21.7 6.8 21.2 197 419 A G T 3 S+ 0 0 76 1,-0.2 2,-0.5 4,-0.1 -1,-0.3 0.473 90.2 63.5 -60.6 -10.5 24.6 8.6 19.6 198 420 A L X> - 0 0 94 -3,-1.6 3,-1.3 1,-0.1 4,-1.1 -0.881 65.5-170.0-122.5 94.4 25.6 10.3 22.9 199 421 A A T 34 S+ 0 0 76 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.798 86.5 61.0 -50.9 -35.7 26.6 7.5 25.4 200 422 A E T 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 30,-0.2 0.866 112.4 39.3 -60.1 -37.5 26.6 10.1 28.3 201 423 A c T <4 S+ 0 0 0 -3,-1.3 10,-0.6 1,-0.2 -2,-0.2 0.570 125.9 33.5 -92.8 -12.4 22.9 10.7 27.6 202 424 A A S < S- 0 0 9 -4,-1.1 -1,-0.2 -3,-0.3 8,-0.2 -0.583 82.2-175.5-141.9 71.5 21.8 7.2 26.8 203 425 A P - 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0 0 37 -3,-1.8 4,-0.2 -21,-0.2 -12,-0.0 -0.465 67.6-129.3 -69.2 138.0 14.8 8.5 26.3 215 437 A P S S+ 0 0 66 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.774 92.2 72.1 -65.2 -25.1 12.1 8.1 23.6 216 438 A I S S- 0 0 124 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.826 106.4 -94.3 -92.8 125.0 11.3 4.5 24.7 217 439 A A - 0 0 66 -2,-0.5 2,-0.2 -88,-0.1 -1,-0.1 -0.113 35.0-136.9 -49.6 113.6 9.4 4.4 28.0 218 440 A V - 0 0 22 -6,-0.3 -39,-0.1 -4,-0.2 -1,-0.1 -0.514 7.3-150.8 -69.2 135.0 11.7 4.0 31.0 219 441 A S - 0 0 54 -2,-0.2 -1,-0.1 -40,-0.1 -40,-0.1 0.773 30.9-119.2 -83.1 -30.5 10.2 1.5 33.5 220 442 A G S S+ 0 0 15 2,-0.1 6,-0.1 -44,-0.1 -2,-0.1 0.345 87.8 102.5 105.9 -1.9 11.7 2.9 36.7 221 443 A D + 0 0 98 4,-0.1 2,-0.3 3,-0.0 -3,-0.0 0.618 68.5 74.3 -84.9 -17.2 13.7 -0.2 37.8 222 444 A H S > S- 0 0 77 1,-0.1 3,-1.1 -12,-0.1 4,-0.4 -0.790 87.6-120.9 -99.7 145.1 17.1 1.3 36.6 223 445 A E G > S+ 0 0 167 -2,-0.3 3,-0.6 1,-0.2 -14,-0.1 0.836 108.7 46.6 -49.2 -49.6 18.8 4.1 38.6 224 446 A N G > S+ 0 0 18 -16,-2.3 3,-2.2 1,-0.2 -12,-0.5 0.634 87.3 90.3 -71.0 -20.9 18.9 6.7 35.8 225 447 A N G < S+ 0 0 5 -3,-1.1 -1,-0.2 -17,-0.4 -2,-0.1 0.802 90.9 42.9 -47.1 -42.2 15.2 6.2 34.7 226 448 A K G < S+ 0 0 105 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.2 0.403 106.9 81.9 -86.1 -2.5 13.9 8.9 37.2 227 449 A M S < S- 0 0 83 -3,-2.2 -15,-2.9 -17,-0.2 2,-0.4 -0.690 77.5-115.1-110.1 159.2 16.7 11.4 36.3 228 450 A F - 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