==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-DEC-09 3L0V . COMPND 2 MOLECULE: DISINTEGRIN AND METALLOPROTEINASE DOMAIN-CONTAINI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH . 507 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.1 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 . 5 1.0 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 . 3 0.6 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 . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.9 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 . 1 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 1 216 A A 0 0 49 0, 0.0 55,-0.1 0, 0.0 52,-0.1 0.000 360.0 360.0 360.0 138.4 24.4 32.3 35.9 2 217 A D - 0 0 56 55,-0.1 55,-0.1 337,-0.0 2,-0.1 -0.908 360.0-113.9-108.2 135.8 23.0 32.8 39.4 3 218 A P - 0 0 17 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.367 17.4-143.7 -67.8 140.9 19.5 31.5 40.5 4 219 A D > - 0 0 46 3,-0.3 3,-1.8 1,-0.1 0, 0.0 -0.943 6.5-160.1-100.9 106.8 16.9 34.1 41.3 5 220 A P G > S+ 0 0 75 0, 0.0 250,-0.7 0, 0.0 3,-0.6 0.717 92.4 59.8 -61.8 -17.3 14.9 32.5 44.2 6 221 A M G 3 S+ 0 0 103 1,-0.2 248,-0.3 248,-0.2 3,-0.1 0.571 115.7 32.9 -82.3 -13.1 12.1 34.9 43.4 7 222 A K G < S+ 0 0 70 -3,-1.8 -3,-0.3 246,-0.1 -1,-0.2 -0.420 87.9 102.3-139.6 55.6 11.9 33.5 39.9 8 223 A N < + 0 0 21 245,-1.2 53,-1.8 -3,-0.6 2,-0.4 0.349 61.8 78.1-122.1 6.5 12.7 29.8 40.3 9 224 A T E -aB 61 253A 0 244,-2.1 244,-2.7 51,-0.2 2,-0.8 -0.977 60.6-147.9-126.9 130.1 9.3 28.0 40.1 10 225 A a E -a 62 0A 0 51,-3.0 53,-1.7 -2,-0.4 2,-0.3 -0.837 24.8-146.2 -93.9 107.7 7.1 27.2 37.2 11 226 A K E -a 63 0A 18 -2,-0.8 108,-1.5 240,-0.4 107,-0.9 -0.638 16.9-147.1 -78.8 133.5 3.5 27.4 38.6 12 227 A L E -ac 64 119A 0 51,-2.6 53,-3.0 -2,-0.3 54,-1.4 -0.847 20.4-150.4-109.3 142.1 1.1 24.8 37.0 13 228 A L E -ac 66 120A 2 106,-2.4 108,-2.8 -2,-0.4 2,-0.5 -0.945 28.7-163.1 -98.2 116.2 -2.6 24.7 36.1 14 229 A V E -ac 67 121A 0 52,-2.8 54,-2.7 -2,-0.7 2,-0.5 -0.910 3.4-164.1-104.8 128.3 -3.3 21.0 36.4 15 230 A V E -ac 68 122A 0 106,-2.8 108,-3.3 -2,-0.5 2,-0.6 -0.969 8.6-164.8-117.4 125.8 -6.5 19.7 34.8 16 231 A A E -ac 69 123A 0 52,-2.8 54,-2.9 -2,-0.5 108,-0.2 -0.925 20.1-149.2-104.8 114.7 -8.1 16.4 35.6 17 232 A D > - 0 0 0 106,-2.1 4,-2.7 -2,-0.6 5,-0.2 -0.237 32.4 -93.1 -77.8 176.2 -10.6 15.5 32.9 18 233 A H H > S+ 0 0 26 54,-0.2 4,-2.3 1,-0.2 5,-0.2 0.800 126.5 55.0 -58.3 -32.5 -13.8 13.4 33.5 19 234 A R H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.938 111.1 44.1 -66.2 -46.3 -12.0 10.2 32.4 20 235 A F H >>S+ 0 0 0 103,-0.3 4,-2.4 2,-0.2 5,-2.4 0.926 113.0 51.9 -63.4 -46.4 -9.3 10.9 35.1 21 236 A Y H <5S+ 0 0 27 -4,-2.7 6,-2.6 49,-0.3 7,-0.5 0.910 117.7 37.9 -54.8 -48.5 -11.9 11.8 37.7 22 237 A R H <5S+ 0 0 163 -4,-2.3 4,-0.4 4,-0.2 -2,-0.2 0.947 127.4 30.6 -70.1 -54.0 -13.9 8.5 37.1 23 238 A Y H <5S+ 0 0 118 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.800 135.6 21.4 -82.6 -33.6 -11.0 6.0 36.5 24 239 A M T <5S+ 0 0 27 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.763 128.3 45.1 -99.7 -42.3 -8.2 7.4 38.7 25 240 A G S > - 0 0 98 -3,-2.1 4,-2.0 -7,-0.5 -1,-0.2 -0.955 61.5-147.5-123.8 142.4 -14.0 11.7 44.3 29 244 A E H > S+ 0 0 104 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.900 102.2 52.1 -68.5 -42.4 -12.3 15.2 44.4 30 245 A S H > S+ 0 0 63 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.944 112.6 43.6 -60.4 -51.1 -10.1 14.1 47.4 31 246 A T H > S+ 0 0 50 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.910 115.8 49.0 -61.3 -46.8 -8.7 10.9 45.6 32 247 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 -7,-0.4 -2,-0.2 0.935 116.5 41.0 -56.7 -55.4 -8.3 12.8 42.3 33 248 A T H X S+ 0 0 22 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.917 111.4 54.8 -64.7 -43.7 -6.4 15.8 43.9 34 249 A N H X S+ 0 0 89 -4,-3.0 4,-2.4 -5,-0.2 5,-0.3 0.906 107.6 52.0 -57.7 -41.8 -4.3 13.6 46.3 35 250 A Y H X S+ 0 0 36 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.941 115.6 40.1 -56.9 -50.3 -3.0 11.6 43.3 36 251 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.891 112.7 53.3 -69.6 -42.0 -2.0 14.7 41.4 37 252 A I H X S+ 0 0 85 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.949 114.2 43.2 -56.5 -49.1 -0.5 16.6 44.4 38 253 A E H X S+ 0 0 114 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.914 114.6 49.1 -67.2 -44.2 1.7 13.6 45.2 39 254 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.945 112.9 47.1 -59.3 -51.7 2.8 13.0 41.6 40 255 A I H X S+ 0 0 6 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.907 111.1 52.2 -59.1 -40.8 3.6 16.7 41.0 41 256 A D H X S+ 0 0 86 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.893 110.1 47.8 -63.0 -42.1 5.6 16.8 44.3 42 257 A R H X S+ 0 0 73 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.911 113.3 48.2 -66.3 -38.1 7.7 13.7 43.3 43 258 A V H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.5 0.933 108.2 55.5 -65.2 -42.2 8.3 15.2 39.8 44 259 A D H 3X S+ 0 0 3 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.885 101.5 58.2 -58.8 -39.0 9.3 18.5 41.6 45 260 A D H 3X S+ 0 0 61 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.879 106.5 48.3 -58.2 -40.1 11.9 16.5 43.6 46 261 A I H << S+ 0 0 28 -4,-1.3 4,-0.4 -3,-0.5 -2,-0.2 0.968 119.6 38.0 -64.5 -51.9 13.6 15.4 40.3 47 262 A Y H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 13,-0.4 0.959 114.8 51.0 -63.1 -55.7 13.6 19.0 38.9 48 263 A R H 3< S+ 0 0 64 -4,-3.4 11,-2.0 1,-0.3 12,-0.2 0.807 112.1 47.9 -56.0 -35.6 14.4 20.9 42.1 49 264 A N T 3< S+ 0 0 110 -4,-1.5 2,-0.5 -5,-0.3 -1,-0.3 0.456 89.0 106.4 -84.2 -6.0 17.5 18.7 42.9 50 265 A T < - 0 0 18 -3,-1.9 2,-0.9 -4,-0.4 10,-0.4 -0.672 61.9-149.1 -79.4 128.9 18.9 18.9 39.4 51 266 A A > - 0 0 20 -2,-0.5 3,-1.5 1,-0.2 7,-0.2 -0.834 11.5-164.9 -94.0 101.0 22.0 21.1 38.9 52 267 A W T 3 S+ 0 0 3 5,-2.5 189,-0.3 -2,-0.9 -1,-0.2 0.818 90.5 35.1 -60.0 -31.3 21.3 22.3 35.3 53 268 A D T 3 S- 0 0 49 4,-0.4 -1,-0.3 -3,-0.1 3,-0.1 0.176 117.0-110.4-103.6 10.0 24.9 23.6 34.9 54 269 A N S < S+ 0 0 92 -3,-1.5 -2,-0.1 3,-0.2 2,-0.1 0.711 100.9 59.1 63.2 24.1 26.4 20.7 37.1 55 270 A A S S- 0 0 45 2,-0.1 -1,-0.2 374,-0.0 374,-0.0 -0.033 119.0 -30.6-139.4-113.7 27.2 23.3 39.8 56 271 A G S S+ 0 0 46 -3,-0.1 2,-1.9 -55,-0.1 -4,-0.0 0.358 93.9 107.2-102.3 3.2 24.9 25.7 41.7 57 272 A F + 0 0 4 -55,-0.1 -5,-2.5 2,-0.0 -4,-0.4 -0.593 60.3 108.4 -84.8 78.5 22.2 26.4 39.1 58 273 A K + 0 0 119 -2,-1.9 -9,-0.2 -7,-0.2 -7,-0.1 -0.793 24.0 80.4-140.5 178.8 19.6 24.3 41.0 59 274 A G + 0 0 22 -11,-2.0 2,-0.4 1,-0.3 -11,-0.2 0.484 62.6 136.1 90.4 7.3 16.5 24.8 43.1 60 275 A Y + 0 0 5 -10,-0.4 -1,-0.3 -13,-0.4 -10,-0.3 -0.742 27.1 124.8 -90.0 128.8 14.3 25.2 39.9 61 276 A G E -a 9 0A 0 -53,-1.8 -51,-3.0 -2,-0.4 2,-0.3 -0.718 49.1 -83.5-156.8-154.8 11.1 23.3 39.9 62 277 A I E -a 10 0A 1 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.962 25.0-178.2-135.6 146.7 7.3 23.1 39.7 63 278 A Q E -a 11 0A 35 -53,-1.7 -51,-2.6 -2,-0.3 2,-0.4 -0.995 32.8-109.1-143.8 149.9 4.4 23.7 41.9 64 279 A I E +a 12 0A 49 -2,-0.3 -51,-0.2 -53,-0.2 3,-0.1 -0.648 28.1 177.0 -80.6 127.2 0.6 23.4 41.5 65 280 A E E S- 0 0 94 -53,-3.0 2,-0.3 1,-0.4 -52,-0.2 0.748 72.9 -3.4 -90.8 -40.1 -1.3 26.8 41.4 66 281 A Q E -a 13 0A 88 -54,-1.4 -52,-2.8 2,-0.0 2,-0.5 -0.978 54.4-148.6-154.7 143.1 -4.7 25.3 40.7 67 282 A I E -a 14 0A 34 -2,-0.3 2,-0.4 -54,-0.2 -52,-0.2 -0.971 16.0-159.4-112.7 113.3 -6.3 21.8 40.1 68 283 A R E -a 15 0A 71 -54,-2.7 -52,-2.8 -2,-0.5 2,-0.5 -0.785 8.1-160.8 -88.9 130.8 -9.3 22.0 37.8 69 284 A I E -a 16 0A 37 -2,-0.4 2,-0.9 -54,-0.2 -52,-0.2 -0.964 5.9-160.3-118.4 114.5 -11.5 18.9 38.3 70 285 A L - 0 0 34 -54,-2.9 -49,-0.3 -2,-0.5 4,-0.1 -0.846 9.1-176.8 -98.7 98.9 -14.0 18.1 35.5 71 286 A K + 0 0 115 -2,-0.9 -1,-0.2 -50,-0.1 -54,-0.1 0.750 64.8 23.5 -68.1 -28.3 -16.5 15.8 37.1 72 287 A S S S- 0 0 78 -51,-0.0 -54,-0.2 1,-0.0 -53,-0.1 -0.899 94.3 -80.5-136.5 162.9 -18.6 15.1 34.0 73 288 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.292 50.7-104.3 -63.4 150.7 -18.1 15.2 30.2 74 289 A Q - 0 0 85 10,-2.3 12,-0.5 8,-0.1 2,-0.3 -0.670 31.6-126.7 -76.9 121.7 -18.4 18.5 28.4 75 290 A E - 0 0 178 -2,-0.5 2,-0.3 10,-0.1 9,-0.1 -0.541 34.1-168.6 -67.0 125.5 -21.8 18.9 26.6 76 291 A V - 0 0 58 -2,-0.3 3,-0.1 4,-0.1 6,-0.1 -0.926 19.3-125.2-121.2 149.3 -21.0 19.8 23.0 77 292 A K > - 0 0 154 -2,-0.3 3,-2.2 1,-0.2 0, 0.0 -0.441 55.7 -69.1 -81.7 162.3 -23.2 21.0 20.1 78 293 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.314 125.1 11.7 -58.6 135.0 -23.2 19.0 16.7 79 294 A G T 3 S+ 0 0 92 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.303 104.6 117.0 80.5 -7.8 -19.8 19.4 15.0 80 295 A E < - 0 0 97 -3,-2.2 2,-0.3 2,-0.0 -1,-0.3 -0.683 46.1-164.5 -91.6 142.3 -18.3 21.0 18.1 81 296 A K + 0 0 71 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.880 10.4 178.6-126.3 157.3 -15.4 19.3 19.9 82 297 A H > - 0 0 35 -2,-0.3 3,-2.0 -8,-0.1 24,-0.1 -0.952 38.5-120.0-153.7 143.2 -13.9 19.9 23.4 83 298 A Y T 3 S+ 0 0 6 22,-0.3 23,-0.1 -2,-0.3 -66,-0.0 0.762 115.7 46.8 -59.1 -26.7 -11.0 18.0 25.1 84 299 A N T 3 S+ 0 0 3 -67,-0.1 -10,-2.3 -66,-0.1 -1,-0.3 0.224 83.7 124.9 -98.9 11.1 -13.4 17.0 28.0 85 300 A M S < S- 0 0 13 -3,-2.0 -10,-0.1 -12,-0.3 -4,-0.0 -0.296 71.1-115.2 -68.3 160.7 -16.3 15.8 25.7 86 301 A A S S+ 0 0 65 -12,-0.5 2,-0.1 2,-0.0 -1,-0.1 0.911 91.7 70.8 -62.5 -44.4 -17.6 12.2 26.2 87 302 A K S S- 0 0 48 1,-0.1 2,-0.2 9,-0.0 -2,-0.1 -0.397 81.3-120.9 -81.9 150.6 -16.5 10.9 22.8 88 303 A S - 0 0 11 6,-0.3 9,-0.1 4,-0.3 8,-0.1 -0.526 41.1-106.5 -80.3 154.0 -13.0 10.2 21.5 89 304 A Y S S+ 0 0 87 -2,-0.2 9,-1.9 1,-0.1 13,-0.1 -0.998 86.5 2.6-137.9 136.3 -11.9 12.2 18.4 90 305 A P S S+ 0 0 82 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.990 136.9 37.1 -79.2 -18.0 -11.4 11.5 15.4 91 306 A N > - 0 0 79 5,-0.3 3,-1.1 1,-0.1 -2,-0.1 -0.867 57.3-174.4-105.4 109.0 -12.6 7.9 16.0 92 307 A E T 3 S+ 0 0 75 -2,-0.7 -4,-0.3 1,-0.2 -1,-0.1 0.706 85.7 65.3 -68.4 -22.1 -15.4 7.5 18.5 93 308 A E T 3 S+ 0 0 98 -6,-0.1 2,-0.2 -5,-0.0 -1,-0.2 0.631 91.6 82.4 -75.7 -13.4 -15.1 3.6 18.3 94 309 A K S < S- 0 0 53 -3,-1.1 -6,-0.3 2,-0.1 34,-0.1 -0.643 83.3-129.4 -92.1 149.5 -11.6 4.0 19.9 95 310 A D S S+ 0 0 71 -2,-0.2 2,-0.3 32,-0.2 33,-0.1 0.819 89.4 38.6 -62.5 -31.5 -10.9 4.3 23.6 96 311 A A S S- 0 0 8 31,-0.4 -5,-0.3 30,-0.2 -2,-0.1 -0.848 78.6-111.7-126.2 159.7 -8.7 7.4 22.9 97 312 A W - 0 0 6 -2,-0.3 2,-0.4 1,-0.1 32,-0.3 -0.294 53.1 -88.5 -69.9 164.0 -8.3 10.6 20.9 98 313 A D > - 0 0 77 -9,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.673 47.7-130.9 -70.4 123.4 -5.4 10.9 18.4 99 314 A V H > S+ 0 0 24 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.870 101.5 49.9 -53.7 -42.3 -2.8 12.3 20.9 100 315 A K H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 111.3 48.8 -64.2 -45.0 -1.7 15.3 18.8 101 316 A M H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 110.7 52.6 -62.7 -36.2 -5.3 16.4 18.1 102 317 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.908 108.7 47.5 -65.1 -46.1 -6.0 16.1 21.9 103 318 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 114.2 48.7 -61.5 -41.8 -3.0 18.3 22.9 104 319 A E H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 113.6 46.5 -61.0 -47.6 -4.1 20.9 20.2 105 320 A Q H X S+ 0 0 17 -4,-2.7 4,-3.1 2,-0.2 -22,-0.3 0.904 111.9 50.1 -63.2 -45.4 -7.8 20.8 21.5 106 321 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.964 111.2 49.6 -57.3 -51.3 -6.8 21.1 25.1 107 322 A S H < S+ 0 0 0 -4,-2.4 54,-0.5 1,-0.2 4,-0.5 0.885 113.2 47.5 -56.1 -40.7 -4.5 24.1 24.3 108 323 A F H >< S+ 0 0 61 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.963 116.1 42.5 -64.9 -53.4 -7.5 25.7 22.4 109 324 A D H 3< S+ 0 0 31 -4,-3.1 3,-0.2 1,-0.2 -2,-0.2 0.807 119.2 43.1 -63.8 -33.6 -10.0 25.1 25.2 110 325 A I T 3X S+ 0 0 1 -4,-2.8 4,-3.1 -5,-0.2 3,-0.3 0.342 79.9 114.7 -95.2 3.4 -7.7 26.1 28.0 111 326 A A H <> S+ 0 0 3 -3,-1.0 4,-1.9 -4,-0.5 -1,-0.2 0.834 74.9 47.7 -43.9 -53.5 -6.2 29.2 26.2 112 327 A E H 4 S+ 0 0 122 -4,-0.3 4,-0.3 -3,-0.2 -1,-0.2 0.920 118.8 40.0 -57.0 -48.1 -7.6 31.9 28.6 113 328 A E H >4 S+ 0 0 52 -3,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.896 112.4 56.9 -68.6 -40.1 -6.5 30.1 31.7 114 329 A A H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.809 95.3 66.0 -62.4 -31.0 -3.1 29.0 30.1 115 330 A S T 3< S+ 0 0 37 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.688 101.4 50.5 -63.3 -19.1 -2.3 32.7 29.4 116 331 A K T < S+ 0 0 129 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.337 106.8 58.0-101.2 0.7 -2.0 33.3 33.3 117 332 A V S < S- 0 0 8 -3,-1.4 -105,-0.1 -4,-0.1 3,-0.1 -0.924 78.6-120.4-132.1 162.8 0.3 30.4 34.2 118 333 A a S S- 0 0 4 -107,-0.9 29,-2.0 -2,-0.3 2,-0.3 0.940 97.8 -4.4 -65.7 -46.3 3.8 29.0 33.4 119 334 A L E -c 12 0A 0 -108,-1.5 -106,-2.4 27,-0.2 2,-0.4 -0.990 57.1-150.6-146.5 151.1 2.3 25.7 32.2 120 335 A A E -cd 13 164A 0 43,-2.6 45,-1.1 -2,-0.3 2,-0.4 -0.969 19.7-168.2-117.1 137.5 -1.0 24.0 31.9 121 336 A H E -cd 14 165A 0 -108,-2.8 -106,-2.8 -2,-0.4 2,-0.5 -0.996 10.4-148.0-134.3 127.9 -1.0 20.1 32.1 122 337 A L E -cd 15 166A 0 43,-2.4 45,-2.6 -2,-0.4 2,-0.5 -0.836 6.8-162.1 -93.3 130.1 -3.9 17.8 31.3 123 338 A F E +cd 16 167A 0 -108,-3.3 -106,-2.1 -2,-0.5 -103,-0.3 -0.959 24.6 161.1-111.4 122.3 -4.2 14.5 33.1 124 339 A T E - d 0 168A 0 43,-2.6 45,-1.7 -2,-0.5 2,-0.3 -0.736 40.3-129.8-131.5-178.6 -6.5 12.0 31.4 125 340 A Y + 0 0 27 43,-0.2 2,-0.3 -2,-0.2 43,-0.1 -0.770 54.9 123.7-140.2 84.4 -7.3 8.2 31.3 126 341 A Q - 0 0 0 -2,-0.3 2,-1.4 44,-0.3 44,-0.4 -0.994 60.4-119.9-150.3 140.6 -7.2 7.0 27.7 127 342 A D - 0 0 39 -2,-0.3 -31,-0.4 44,-0.1 -32,-0.2 -0.643 33.3-160.0 -88.0 85.4 -5.4 4.3 25.8 128 343 A F > - 0 0 3 -2,-1.4 3,-0.7 4,-0.4 44,-0.3 -0.287 30.4 -90.6 -63.7 147.2 -3.4 6.1 23.1 129 344 A D G > S+ 0 0 119 -32,-0.3 3,-1.4 1,-0.2 -1,-0.1 -0.209 101.1 12.2 -60.3 146.7 -2.3 4.0 20.1 130 345 A M G 3 S- 0 0 178 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.765 128.1 -62.3 58.3 35.9 1.1 2.3 20.0 131 346 A G G < S+ 0 0 18 -3,-0.7 -1,-0.3 1,-0.2 2,-0.2 0.551 83.0 159.8 71.4 14.0 1.9 2.7 23.7 132 347 A T < + 0 0 51 -3,-1.4 -4,-0.4 1,-0.1 -1,-0.2 -0.474 13.9 177.2 -67.4 136.6 2.0 6.6 23.7 133 348 A L - 0 0 25 1,-0.3 35,-3.0 -2,-0.2 2,-0.3 0.613 56.8 -7.0-114.0 -24.9 1.5 7.9 27.3 134 349 A G E -E 167 0A 8 33,-0.2 -1,-0.3 35,-0.1 2,-0.3 -0.972 49.1-153.1-161.9 177.1 1.8 11.7 26.8 135 350 A L E +E 166 0A 53 31,-1.6 31,-2.6 -2,-0.3 2,-0.3 -0.978 14.7 171.1-159.9 148.6 2.6 14.7 24.6 136 351 A A E -E 165 0A 15 -2,-0.3 2,-0.3 29,-0.3 29,-0.2 -0.984 31.6-109.3-156.5 160.9 3.9 18.3 25.1 137 352 A Y S S+ 0 0 42 27,-2.1 7,-0.2 -2,-0.3 57,-0.2 -0.699 75.9 50.6 -92.6 150.9 5.1 21.4 23.2 138 353 A G S S+ 0 0 9 5,-0.6 7,-0.2 -2,-0.3 54,-0.2 -0.141 82.1 53.5 105.4 158.5 8.7 22.4 23.4 139 354 A G S S+ 0 0 14 5,-0.3 58,-0.2 1,-0.2 53,-0.1 0.896 72.3 145.5 46.4 50.7 12.0 20.6 22.8 140 355 A S 0 0 94 1,-0.1 -1,-0.2 56,-0.1 56,-0.1 -0.921 360.0 360.0-113.6 141.1 11.0 19.3 19.3 141 356 A P 0 0 150 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.305 360.0 360.0 -86.6 360.0 13.5 18.9 16.5 142 ! 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 0.0 143 361 A H 0 0 113 0, 0.0 -5,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-160.1 7.8 26.0 19.3 144 362 A G + 0 0 28 -7,-0.2 -5,-0.3 2,-0.1 2,-0.3 -0.618 360.0 113.4 118.3-177.0 6.1 26.0 22.7 145 363 A G + 0 0 1 17,-2.3 48,-0.2 -2,-0.2 4,-0.2 -0.735 65.4 22.1 112.6-159.2 6.9 25.1 26.3 146 364 A V S S+ 0 0 7 46,-2.4 -27,-0.2 -2,-0.3 -2,-0.1 -0.095 108.7 26.2 -49.7 134.1 7.3 27.1 29.6 147 365 A b S S- 0 0 1 -29,-2.0 2,-0.2 16,-0.1 15,-0.2 0.620 99.4 -82.8 79.8 126.4 5.6 30.6 29.6 148 366 A P - 0 0 34 0, 0.0 2,-0.5 0, 0.0 13,-0.1 -0.443 48.0-178.1 -63.1 124.4 2.6 31.4 27.5 149 367 A K - 0 0 119 -2,-0.2 13,-1.2 -4,-0.2 14,-0.1 -0.997 27.5-121.5-123.0 119.1 3.6 32.3 24.0 150 368 A A E -F 161 0B 58 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.293 27.1-176.7 -64.6 145.5 0.7 33.2 21.7 151 369 A Y E -F 160 0B 120 9,-2.0 9,-2.6 7,-0.0 2,-0.7 -0.962 24.7-134.0-137.8 118.9 0.0 31.3 18.5 152 370 A Y E -F 159 0B 114 -2,-0.4 7,-0.2 7,-0.2 3,-0.1 -0.693 18.0-147.1 -78.6 121.3 -2.8 32.6 16.3 153 371 A S E >> -F 158 0B 20 5,-2.4 4,-2.0 -2,-0.7 5,-0.8 -0.781 10.9-166.6 -89.4 108.0 -4.8 29.6 15.3 154 372 A P T 45S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.909 93.9 43.5 -61.5 -36.9 -6.3 30.2 11.7 155 373 A V T 45S+ 0 0 141 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.960 119.5 41.2 -68.6 -53.7 -8.6 27.1 12.3 156 374 A G T 45S- 0 0 22 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.647 98.5-139.1 -69.8 -18.5 -9.6 28.1 15.9 157 375 A K T <5S+ 0 0 158 -4,-2.0 2,-0.3 1,-0.2 -1,-0.1 0.740 71.9 67.6 62.8 29.4 -9.9 31.9 15.0 158 376 A K E -G 174 0C 27 3,-2.5 3,-1.2 -2,-0.4 -44,-0.1 -0.962 67.2 -2.7-155.6 129.9 -1.8 2.0 28.7 172 390 A Y T 3 S- 0 0 168 -2,-0.3 3,-0.1 -44,-0.3 -1,-0.1 0.909 129.7 -52.6 51.9 51.0 -2.7 -1.4 27.2 173 391 A G T 3 S+ 0 0 55 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.573 120.4 84.6 66.8 15.2 -6.1 -1.6 29.0 174 392 A K E < S-G 171 0C 112 -3,-1.2 -3,-2.5 0, 0.0 2,-0.3 -0.983 83.7 -96.1-145.1 159.1 -4.7 -1.0 32.5 175 393 A T E -G 170 0C 54 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.545 46.6-124.3 -69.4 131.5 -3.7 1.7 34.9 176 394 A I - 0 0 13 -7,-2.4 -1,-0.1 -2,-0.3 2,-0.1 -0.305 32.7 -90.6 -72.6 160.3 0.0 2.4 34.7 177 395 A L > - 0 0 80 1,-0.1 4,-2.7 4,-0.0 3,-0.4 -0.397 31.7-120.6 -66.3 150.7 2.2 2.1 37.9 178 396 A T H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 117.3 56.9 -61.9 -36.3 2.6 5.4 39.8 179 397 A K H > S+ 0 0 95 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.854 110.1 45.4 -61.5 -31.4 6.4 5.0 39.3 180 398 A E H > S+ 0 0 60 -3,-0.4 4,-1.7 2,-0.2 3,-0.3 0.929 111.3 52.0 -73.4 -48.6 5.6 4.9 35.5 181 399 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.883 105.4 55.0 -55.3 -43.7 3.2 7.9 35.7 182 400 A D H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.891 109.3 48.3 -57.2 -41.6 5.8 10.1 37.5 183 401 A L H X S+ 0 0 7 -4,-1.0 4,-2.7 -3,-0.3 -1,-0.2 0.822 107.4 54.5 -71.1 -34.4 8.2 9.5 34.6 184 402 A V H X S+ 0 0 11 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.975 112.9 42.9 -61.5 -54.8 5.6 10.3 31.9 185 403 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.884 113.6 52.1 -59.7 -39.9 4.9 13.7 33.5 186 404 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.942 112.0 46.8 -59.5 -47.9 8.7 14.2 34.1 187 405 A H H X S+ 0 0 26 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.897 114.0 47.3 -58.4 -47.6 9.3 13.5 30.3 188 406 A E H X S+ 0 0 11 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.933 114.6 44.8 -65.3 -46.2 6.4 15.8 29.2 189 407 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.844 107.7 62.1 -66.5 -27.4 7.5 18.7 31.4 190 408 A G H <>S+ 0 0 0 -4,-1.9 5,-2.5 -5,-0.3 4,-0.2 0.943 104.8 45.6 -60.2 -47.8 11.0 17.9 30.2 191 409 A H H ><5S+ 0 0 19 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.931 111.8 52.5 -57.6 -48.1 9.9 18.8 26.6 192 410 A N H 3<5S+ 0 0 2 -4,-2.1 -46,-2.4 1,-0.3 -2,-0.2 0.834 106.3 54.4 -56.0 -37.3 8.1 21.9 28.1 193 411 A F T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -48,-0.2 50,-0.2 0.435 129.8 -96.9 -79.2 -0.5 11.4 22.9 29.7 194 412 A G T < 5S+ 0 0 17 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.361 75.6 141.0 102.9 -0.9 13.2 22.6 26.3 195 413 A A < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.2 -0.526 33.8-157.6 -76.9 136.5 14.7 19.1 26.4 196 414 A E - 0 0 90 -2,-0.2 -56,-0.1 1,-0.2 43,-0.1 -0.463 41.8 -69.7 -97.1 175.0 14.7 17.1 23.2 197 415 A H - 0 0 85 -58,-0.2 21,-0.2 -2,-0.2 -1,-0.2 -0.359 52.1-106.4 -65.2 148.3 14.9 13.2 23.2 198 416 A D - 0 0 2 19,-1.4 2,-0.3 17,-0.1 -1,-0.1 -0.661 39.3-133.7 -73.2 125.9 18.3 11.7 24.2 199 417 A P > - 0 0 58 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.660 6.4-132.0 -87.6 143.6 19.8 10.3 21.0 200 418 A D T 3 S+ 0 0 118 -2,-0.3 6,-0.2 1,-0.3 5,-0.1 0.872 102.5 69.7 -53.4 -41.7 21.4 6.8 20.8 201 419 A G T 3 S+ 0 0 74 1,-0.2 2,-0.6 4,-0.1 -1,-0.3 0.432 87.9 67.8 -59.8 -5.7 24.5 8.2 19.2 202 420 A L X> - 0 0 93 -3,-1.7 3,-1.3 1,-0.1 4,-1.0 -0.881 63.8-171.5-120.6 93.5 25.6 10.0 22.4 203 421 A A T 34 S+ 0 0 77 -2,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.820 85.5 62.2 -50.0 -39.7 26.6 7.2 24.9 204 422 A E T 34 S+ 0 0 132 1,-0.2 30,-0.3 2,-0.1 -1,-0.3 0.857 112.4 37.5 -54.4 -38.6 26.8 9.9 27.7 205 423 A c T <4 S+ 0 0 0 -3,-1.3 10,-0.6 1,-0.2 -1,-0.2 0.531 124.1 38.0 -96.0 -9.2 23.1 10.6 27.2 206 424 A A S < S- 0 0 9 -4,-1.0 -1,-0.2 -3,-0.5 8,-0.2 -0.543 80.7-172.7-140.1 70.6 21.8 7.1 26.5 207 425 A P - 0 0 16 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.187 27.3-102.7 -68.3 158.8 23.7 4.6 28.8 208 426 A N > > - 0 0 96 5,-0.1 5,-2.1 1,-0.1 3,-1.3 -0.306 36.2-105.4 -71.9 160.4 23.5 0.8 28.7 209 427 A E G > 5S+ 0 0 59 1,-0.3 3,-2.1 3,-0.2 -1,-0.1 0.916 123.0 55.0 -54.4 -45.9 21.4 -1.1 31.4 210 428 A D G 3 5S+ 0 0 137 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.672 105.7 55.5 -60.0 -19.8 24.6 -2.2 33.2 211 429 A Q G < 5S- 0 0 132 -3,-1.3 -1,-0.3 16,-0.0 -2,-0.2 0.231 137.5 -79.1 -98.4 8.3 25.6 1.5 33.4 212 430 A G T < 5S- 0 0 18 -3,-2.1 16,-2.6 15,-0.1 17,-0.4 0.330 71.5-108.6 108.0 -4.0 22.3 2.6 35.1 213 431 A G < - 0 0 3 -5,-2.1 -5,-0.1 14,-0.1 2,-0.1 -0.206 56.5 -25.0 80.7-170.7 20.1 2.6 32.0 214 432 A K - 0 0 49 -8,-0.2 17,-0.2 1,-0.1 -8,-0.1 -0.360 59.5-117.9 -77.4 158.2 18.5 5.4 30.0 215 433 A Y > - 0 0 44 -10,-0.6 3,-1.7 15,-0.1 14,-0.2 -0.386 38.1 -93.6 -88.1 171.2 17.6 8.9 31.2 216 434 A V T 3 S+ 0 0 2 15,-2.7 6,-0.3 12,-0.5 16,-0.1 0.756 119.8 59.9 -60.8 -30.0 14.1 10.3 31.4 217 435 A M T 3 S+ 0 0 0 14,-0.3 -19,-1.4 4,-0.1 -1,-0.3 0.309 72.3 125.5 -83.9 9.5 14.2 12.0 27.9 218 436 A Y < - 0 0 34 -3,-1.7 4,-0.2 -21,-0.2 -12,-0.0 -0.399 68.2-127.7 -65.5 140.0 14.9 8.7 26.1 219 437 A P S S+ 0 0 65 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.777 95.7 69.6 -68.1 -22.6 12.2 8.3 23.3 220 438 A I S S- 0 0 128 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.865 107.2-100.8 -94.2 117.6 11.2 4.8 24.5 221 439 A A - 0 0 64 -2,-0.6 2,-0.1 -90,-0.1 -4,-0.1 -0.170 33.6-128.6 -48.6 117.5 9.4 5.2 27.9 222 440 A V - 0 0 19 -6,-0.3 -39,-0.1 -4,-0.2 -1,-0.1 -0.435 8.7-145.0 -65.3 141.4 11.7 4.4 30.8 223 441 A S - 0 0 55 -2,-0.1 -1,-0.1 -40,-0.0 -40,-0.1 0.699 31.2-121.4 -80.6 -30.7 10.2 1.9 33.3 224 442 A G S S+ 0 0 18 2,-0.1 6,-0.1 -44,-0.1 -2,-0.1 0.348 86.5 104.0 99.9 -0.9 11.7 3.4 36.5 225 443 A D + 0 0 97 4,-0.1 2,-0.3 3,-0.0 -12,-0.0 0.618 67.8 73.4 -86.3 -13.6 13.6 0.3 37.7 226 444 A H S > S- 0 0 79 -12,-0.1 3,-1.0 1,-0.1 4,-0.4 -0.781 86.6-121.4-101.9 147.6 17.0 1.6 36.6 227 445 A E G > S+ 0 0 75 -2,-0.3 3,-0.7 1,-0.2 -14,-0.1 0.841 109.3 49.0 -53.1 -44.9 18.9 4.4 38.4 228 446 A N G > S+ 0 0 15 -16,-2.6 3,-2.1 1,-0.2 -12,-0.5 0.665 88.7 85.6 -72.3 -20.0 19.1 6.9 35.4 229 447 A N G < S+ 0 0 5 -3,-1.0 -1,-0.2 -17,-0.4 -2,-0.1 0.787 92.0 44.8 -52.7 -38.2 15.4 6.6 34.6 230 448 A K G < S+ 0 0 78 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.198 107.4 77.5 -91.0 8.2 14.4 9.3 37.1 231 449 A M S < S- 0 0 85 -3,-2.1 -15,-2.7 -17,-0.2 2,-0.4 -0.855 78.5-115.4-121.1 161.5 17.2 11.7 36.1 232 450 A F - 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