==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-05 1ZXC . COMPND 2 MOLECULE: ADAM 17; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.I.LEVIN,J.M.CHEN,L.M.LAAKSO,M.DU,J.SCHMID,W.XU,T.CUMMONS, . 517 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 1 1 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 . 2 2 4 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 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 0 194 0, 0.0 55,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.1 12.0 -8.7 97.3 2 218 A P - 0 0 40 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.110 360.0-123.9 -61.5 150.2 13.2 -5.6 99.1 3 219 A D > - 0 0 71 3,-0.5 3,-2.2 1,-0.1 0, 0.0 -0.856 10.7-154.0 -94.8 111.5 16.2 -3.7 97.8 4 220 A P T 3 S+ 0 0 89 0, 0.0 253,-0.8 0, 0.0 3,-0.4 0.754 100.6 50.2 -52.6 -27.2 18.8 -3.4 100.6 5 221 A M T 3 S+ 0 0 98 1,-0.2 251,-0.2 251,-0.2 3,-0.1 0.531 116.7 40.4 -86.0 -13.7 20.0 -0.3 98.8 6 222 A K S < S+ 0 0 79 -3,-2.2 -3,-0.5 1,-0.1 -1,-0.2 -0.456 84.2 102.0-134.8 60.5 16.5 1.1 98.5 7 223 A N + 0 0 25 248,-1.7 53,-1.9 -3,-0.4 2,-0.4 0.374 62.7 71.0-127.9 2.7 14.9 0.4 101.8 8 224 A T E -aB 60 255A 0 247,-1.8 247,-3.2 51,-0.2 2,-0.7 -0.987 59.0-146.0-137.5 131.3 14.9 3.6 103.8 9 225 A a E -a 61 0A 0 51,-2.9 53,-1.9 -2,-0.4 2,-0.4 -0.866 27.9-146.0 -91.9 111.6 13.1 6.9 103.7 10 226 A K E -a 62 0A 10 -2,-0.7 108,-1.4 243,-0.4 107,-0.5 -0.661 18.2-141.7 -85.8 131.5 15.7 9.5 104.9 11 227 A L E -ac 63 118A 0 51,-3.5 53,-3.0 -2,-0.4 54,-2.0 -0.654 21.7-153.0 -99.2 147.2 14.2 12.4 106.8 12 228 A L E -ac 65 119A 0 106,-2.1 108,-3.1 -2,-0.3 2,-0.5 -0.985 29.3-167.1 -97.5 120.7 14.6 16.1 107.2 13 229 A V E -ac 66 120A 0 52,-2.4 54,-1.8 -2,-0.6 2,-0.5 -0.952 3.7-165.9-113.5 124.0 13.4 16.7 110.7 14 230 A V E -ac 67 121A 0 106,-3.0 108,-3.2 -2,-0.5 2,-0.6 -0.928 10.4-168.8-113.0 128.9 12.7 20.2 111.9 15 231 A A E -ac 68 122A 0 52,-2.2 54,-3.1 -2,-0.5 108,-0.2 -0.977 20.4-152.0-108.9 116.7 12.2 21.3 115.4 16 232 A D > - 0 0 0 106,-1.8 4,-2.2 -2,-0.6 3,-0.4 -0.257 36.3 -87.6 -81.9 175.2 11.0 24.9 115.4 17 233 A H H > S+ 0 0 9 1,-0.2 4,-1.7 66,-0.2 5,-0.1 0.720 125.0 57.9 -57.8 -26.3 11.6 27.3 118.3 18 234 A R H > S+ 0 0 19 2,-0.2 4,-2.3 3,-0.1 5,-0.3 0.924 109.0 41.2 -69.9 -48.0 8.5 26.1 120.2 19 235 A F H >>S+ 0 0 0 -3,-0.4 4,-3.5 103,-0.4 5,-2.0 0.962 114.0 55.3 -64.3 -49.8 9.5 22.4 120.4 20 236 A Y H <5S+ 0 0 32 -4,-2.2 6,-2.7 49,-0.2 7,-0.5 0.878 114.2 39.9 -45.3 -49.3 13.0 23.5 121.2 21 237 A R H <5S+ 0 0 51 -4,-1.7 -1,-0.2 4,-0.2 -2,-0.2 0.900 127.8 27.8 -70.4 -44.7 11.8 25.6 124.1 22 238 A Y H <5S+ 0 0 145 -4,-2.3 -2,-0.2 3,-0.1 -3,-0.2 0.668 133.3 26.8-103.2 -21.3 9.1 23.4 125.6 23 239 A M T <5S+ 0 0 26 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.1 0.688 128.6 40.9-106.6 -35.7 10.2 19.8 124.7 24 240 A G S > - 0 0 98 -3,-1.9 4,-2.1 -7,-0.5 -1,-0.3 -0.933 53.7-156.0-115.1 129.9 18.8 22.7 124.9 28 244 A E H > S+ 0 0 87 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.887 96.0 48.5 -70.6 -40.7 19.9 21.7 121.4 29 245 A S H > S+ 0 0 79 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.950 112.1 48.9 -65.0 -51.3 21.4 18.3 122.4 30 246 A T H > S+ 0 0 51 -6,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.915 113.9 46.8 -48.5 -50.3 18.2 17.4 124.4 31 247 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 -7,-0.4 -2,-0.2 0.916 114.8 47.0 -60.7 -48.3 16.0 18.4 121.4 32 248 A T H X S+ 0 0 27 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.937 113.7 47.1 -57.6 -54.8 18.2 16.5 119.0 33 249 A N H X S+ 0 0 88 -4,-3.3 4,-2.7 2,-0.2 5,-0.2 0.896 107.9 56.4 -54.9 -46.7 18.3 13.4 121.3 34 250 A Y H X S+ 0 0 50 -4,-2.7 4,-3.1 -5,-0.2 -1,-0.2 0.948 113.7 39.2 -50.7 -52.3 14.5 13.5 121.9 35 251 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.790 112.1 55.4 -73.9 -34.4 13.8 13.3 118.1 36 252 A I H X S+ 0 0 78 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.945 114.5 43.1 -57.3 -47.6 16.6 10.9 117.3 37 253 A E H X S+ 0 0 113 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.958 114.0 50.1 -62.6 -52.1 14.9 8.6 119.9 38 254 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 3,-0.5 0.943 113.7 43.8 -49.8 -58.2 11.4 9.3 118.7 39 255 A I H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.851 109.9 57.9 -61.1 -37.4 12.2 8.6 115.0 40 256 A D H X S+ 0 0 82 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.3 0.912 108.4 45.0 -58.5 -41.6 14.1 5.5 116.1 41 257 A R H X S+ 0 0 71 -4,-2.2 4,-1.1 -3,-0.5 -2,-0.2 0.855 112.8 51.0 -73.9 -31.0 11.0 4.1 117.9 42 258 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 3,-0.2 0.885 107.2 55.0 -67.4 -43.1 8.8 4.9 114.9 43 259 A D H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.849 98.6 61.1 -56.5 -39.2 11.3 3.2 112.7 44 260 A D H X S+ 0 0 60 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.943 106.8 47.5 -55.7 -41.2 11.0 -0.0 114.8 45 261 A I H < S+ 0 0 33 -4,-1.1 4,-0.3 -3,-0.2 -2,-0.2 0.967 117.7 39.7 -64.0 -52.8 7.2 -0.1 113.8 46 262 A Y H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.2 13,-0.3 0.954 115.1 50.3 -59.4 -56.4 7.8 0.5 110.1 47 263 A R H 3< S+ 0 0 60 -4,-2.9 11,-1.9 1,-0.3 -1,-0.2 0.834 113.4 46.9 -56.1 -38.8 10.9 -1.8 109.8 48 264 A N T 3< S+ 0 0 115 -4,-1.7 2,-0.5 -5,-0.4 -1,-0.3 0.379 90.8 103.6 -87.4 3.3 9.1 -4.6 111.5 49 265 A T < - 0 0 12 -3,-2.2 2,-0.8 10,-0.3 10,-0.3 -0.747 61.6-149.9 -88.9 125.5 5.9 -4.2 109.4 50 266 A A > - 0 0 21 -2,-0.5 3,-1.3 1,-0.1 7,-0.2 -0.862 9.3-167.8 -94.1 106.1 5.4 -6.8 106.6 51 267 A W T 3 S+ 0 0 1 5,-2.2 192,-0.2 -2,-0.8 -1,-0.1 0.757 90.3 36.5 -71.1 -27.7 3.5 -4.9 104.0 52 268 A D T 3 S- 0 0 59 4,-0.4 -1,-0.3 -3,-0.1 3,-0.2 0.156 115.9-112.5-103.1 16.4 2.6 -8.0 102.0 53 269 A N S < S+ 0 0 96 -3,-1.3 -2,-0.1 3,-0.2 4,-0.1 0.627 99.4 52.0 62.5 15.5 2.2 -10.1 105.2 54 270 A A S S- 0 0 65 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.063 120.8 -21.8-137.5-110.3 5.3 -12.1 104.2 55 271 A G S S+ 0 0 44 -3,-0.2 2,-2.1 1,-0.1 -2,-0.0 0.369 94.6 104.2-100.0 2.6 8.8 -11.0 103.2 56 272 A F + 0 0 16 -55,-0.1 -5,-2.2 2,-0.0 -4,-0.4 -0.549 62.9 110.4 -83.7 74.5 8.2 -7.4 102.1 57 273 A K + 0 0 123 -2,-2.1 -9,-0.1 -7,-0.2 -7,-0.1 -0.778 24.8 75.7-137.5 178.1 9.6 -6.0 105.2 58 274 A G + 0 0 23 -11,-1.9 2,-0.3 1,-0.3 -11,-0.2 0.324 60.7 137.4 96.1 -7.5 12.7 -4.0 106.5 59 275 A Y + 0 0 8 -10,-0.3 -1,-0.3 -13,-0.3 -10,-0.3 -0.577 26.8 141.6 -77.7 129.7 11.5 -0.7 105.1 60 276 A G E -a 8 0A 0 -53,-1.9 -51,-2.9 -2,-0.3 2,-0.4 -0.736 44.3 -93.8-148.0-163.7 12.0 2.2 107.5 61 277 A I E +a 9 0A 2 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.979 27.7 178.3-129.4 137.5 12.9 5.8 108.2 62 278 A Q E -a 10 0A 33 -53,-1.9 -51,-3.5 -2,-0.4 2,-0.4 -0.998 33.3-111.3-137.1 142.9 16.2 7.5 109.2 63 279 A I E +a 11 0A 42 -2,-0.3 -51,-0.2 -53,-0.3 3,-0.1 -0.590 28.8 176.3 -69.5 122.6 17.1 11.1 109.8 64 280 A E E S+ 0 0 96 -53,-3.0 2,-0.4 -2,-0.4 -52,-0.2 0.794 75.7 8.4 -86.8 -41.8 19.4 12.5 107.1 65 281 A Q E -a 12 0A 49 -54,-2.0 -52,-2.4 2,-0.0 2,-0.4 -0.994 61.4-162.6-146.4 131.1 19.5 16.1 108.6 66 282 A I E -a 13 0A 58 -2,-0.4 2,-0.4 -54,-0.2 -52,-0.2 -0.912 10.8-170.4-108.0 142.6 18.1 17.5 111.9 67 283 A R E -a 14 0A 87 -54,-1.8 -52,-2.2 -2,-0.4 2,-0.6 -0.995 4.6-162.0-136.7 124.4 17.7 21.2 112.1 68 284 A I E -a 15 0A 21 -2,-0.4 2,-1.1 -54,-0.2 -52,-0.2 -0.953 7.8-153.3-115.1 121.3 16.9 22.9 115.4 69 285 A L + 0 0 36 -54,-3.1 -49,-0.2 -2,-0.6 -50,-0.1 -0.793 15.7 177.2 -93.5 96.7 15.6 26.4 115.3 70 286 A K + 0 0 99 -2,-1.1 -1,-0.2 -50,-0.1 -54,-0.1 0.794 69.4 44.5 -68.5 -26.3 16.7 27.8 118.6 71 287 A S S S- 0 0 53 -3,-0.1 -54,-0.2 392,-0.1 -1,-0.1 -0.922 86.4-112.1-124.6 143.5 15.1 31.1 117.6 72 288 A P - 0 0 9 0, 0.0 2,-0.7 0, 0.0 12,-0.3 -0.277 38.9-108.2 -57.8 151.8 11.8 32.3 115.9 73 289 A Q B -f 84 0B 102 10,-2.0 12,-0.7 8,-0.1 2,-0.1 -0.815 38.3-124.9 -84.8 116.7 12.1 33.8 112.4 74 290 A E - 0 0 51 -2,-0.7 2,-0.4 10,-0.2 10,-0.1 -0.401 29.2-164.5 -67.0 138.9 11.4 37.5 112.8 75 291 A V - 0 0 44 -2,-0.1 3,-0.1 397,-0.1 5,-0.0 -0.990 10.0-156.0-133.0 130.0 8.6 38.9 110.7 76 292 A K > - 0 0 83 -2,-0.4 3,-0.8 1,-0.2 396,-0.1 -0.219 52.9 -55.2 -86.4-176.2 7.6 42.5 109.7 77 293 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.330 120.3 18.0 -66.3 147.9 4.1 43.5 108.7 78 294 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.769 104.7 95.2 70.4 32.0 2.4 41.6 105.9 79 295 A E < - 0 0 83 -3,-0.8 2,-0.3 2,-0.0 -1,-0.1 -0.990 50.8-160.7-156.0 142.7 4.6 38.5 105.8 80 296 A K + 0 0 93 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.832 9.2 179.5-128.5 159.3 4.6 35.0 107.3 81 297 A H > - 0 0 33 -2,-0.3 3,-1.5 5,-0.2 24,-0.1 -0.973 33.9-125.2-155.1 146.6 6.9 32.1 108.2 82 298 A Y T 3 S+ 0 0 8 -2,-0.3 23,-0.1 1,-0.3 -1,-0.1 0.903 114.1 40.5 -63.7 -39.6 6.3 28.6 109.8 83 299 A N T 3 S+ 0 0 2 -3,-0.1 -10,-2.0 -67,-0.1 -1,-0.3 0.151 88.7 127.5 -94.9 17.9 8.9 29.2 112.5 84 300 A M B < S-f 73 0B 11 -3,-1.5 -10,-0.2 -12,-0.3 -4,-0.0 -0.308 71.1-115.5 -65.9 160.5 7.9 32.8 113.0 85 301 A A S S+ 0 0 21 -12,-0.7 2,-0.1 2,-0.1 -1,-0.1 0.891 93.0 64.5 -64.9 -44.3 7.1 33.8 116.6 86 302 A K S S- 0 0 109 1,-0.1 2,-0.2 -11,-0.0 -5,-0.2 -0.426 83.6-116.7 -86.0 156.6 3.4 34.6 116.0 87 303 A S - 0 0 13 4,-0.3 -1,-0.1 6,-0.3 8,-0.1 -0.581 38.3-102.0 -89.5 156.1 0.7 32.2 115.0 88 304 A Y S S- 0 0 81 -2,-0.2 9,-1.6 1,-0.1 13,-0.1 -0.998 84.8 -4.1-138.2 134.4 -1.2 32.5 111.7 89 305 A P S S+ 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.977 130.0 45.3 -89.9 -20.4 -3.9 33.6 110.8 90 306 A N > - 0 0 74 5,-0.2 3,-0.8 1,-0.2 -3,-0.1 -0.766 58.8-166.5 -88.7 122.9 -5.2 34.3 114.3 91 307 A E T 3 S+ 0 0 114 -2,-0.6 -4,-0.3 1,-0.2 -1,-0.2 0.855 85.8 61.4 -68.8 -37.4 -2.7 36.1 116.6 92 308 A E T 3 S+ 0 0 147 -6,-0.1 2,-0.3 -5,-0.0 -1,-0.2 0.012 88.9 92.5 -88.6 27.5 -4.7 35.4 119.7 93 309 A K S < S- 0 0 86 -3,-0.8 -6,-0.3 1,-0.1 34,-0.1 -0.891 74.6-134.4-117.0 151.5 -4.5 31.6 119.4 94 310 A D S S+ 0 0 88 -2,-0.3 2,-0.3 32,-0.2 33,-0.1 0.920 91.4 32.8 -61.5 -42.6 -1.9 29.2 120.9 95 311 A A S S- 0 0 6 31,-0.6 -5,-0.2 30,-0.1 -1,-0.1 -0.824 78.6-113.7-123.9 152.6 -1.7 27.6 117.5 96 312 A W - 0 0 6 -2,-0.3 2,-0.5 1,-0.1 32,-0.3 -0.045 53.7 -83.6 -53.1 167.9 -1.9 28.1 113.8 97 313 A D > - 0 0 78 -9,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.788 47.7-131.9 -73.5 127.0 -4.6 26.7 111.6 98 314 A V H > S+ 0 0 25 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.882 101.8 49.0 -58.5 -43.9 -3.0 23.2 111.1 99 315 A K H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 111.0 50.5 -65.0 -39.7 -3.5 23.1 107.3 100 316 A M H > S+ 0 0 59 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.908 108.8 52.3 -64.9 -40.9 -2.0 26.6 106.9 101 317 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.903 109.7 48.1 -58.4 -43.8 1.1 25.6 109.0 102 318 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.920 114.6 47.3 -63.2 -42.8 1.7 22.5 106.9 103 319 A E H X S+ 0 0 80 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.946 114.4 45.5 -60.9 -52.7 1.4 24.7 103.8 104 320 A Q H X S+ 0 0 10 -4,-3.5 4,-2.9 1,-0.2 5,-0.3 0.942 112.2 50.7 -55.2 -54.8 3.7 27.4 105.2 105 321 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.888 109.3 52.0 -52.5 -44.8 6.3 24.9 106.3 106 322 A S H < S+ 0 0 0 -4,-2.2 57,-0.4 -5,-0.2 4,-0.2 0.891 111.8 45.9 -62.2 -43.3 6.3 23.2 102.9 107 323 A F H >< S+ 0 0 64 -4,-2.0 3,-1.1 2,-0.2 4,-0.2 0.950 116.2 45.1 -61.8 -48.9 6.9 26.6 101.1 108 324 A D H 3< S+ 0 0 37 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.855 116.0 45.2 -67.1 -34.0 9.6 27.6 103.5 109 325 A I T 3X S+ 0 0 9 -4,-2.5 4,-3.6 -5,-0.3 3,-0.4 0.364 80.0 115.6 -91.1 6.2 11.4 24.3 103.5 110 326 A A H <> S+ 0 0 4 -3,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.807 73.2 47.8 -50.1 -45.2 11.2 23.9 99.7 111 327 A E H 4 S+ 0 0 158 -3,-0.4 -1,-0.2 -4,-0.2 4,-0.2 0.920 120.2 38.0 -65.8 -44.8 15.0 24.0 99.0 112 328 A E H >4 S+ 0 0 51 -3,-0.4 3,-2.4 -4,-0.2 4,-0.3 0.930 109.8 64.0 -64.4 -45.6 15.8 21.5 101.6 113 329 A A H >< S+ 0 0 0 -4,-3.6 3,-1.2 1,-0.3 -2,-0.2 0.745 92.5 61.7 -54.9 -32.4 12.7 19.4 100.9 114 330 A S T 3< S+ 0 0 37 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.627 98.7 58.1 -69.8 -14.9 13.8 18.5 97.4 115 331 A K T < S+ 0 0 133 -3,-2.4 2,-0.3 -4,-0.2 -1,-0.2 0.502 103.2 58.7 -95.4 -5.9 16.8 16.7 98.7 116 332 A V S < S- 0 0 2 -3,-1.2 -105,-0.1 -4,-0.3 3,-0.1 -0.945 76.3-124.7-134.0 146.9 15.0 14.2 100.9 117 333 A a S S+ 0 0 4 -107,-0.5 32,-1.5 -2,-0.3 2,-0.3 0.912 98.2 0.9 -41.8 -56.6 12.4 11.4 100.8 118 334 A L E -c 11 0A 0 -108,-1.4 -106,-2.1 30,-0.2 2,-0.4 -0.986 58.5-149.2-141.8 149.6 10.3 13.3 103.5 119 335 A A E -cd 12 166A 0 46,-2.5 48,-1.1 -2,-0.3 2,-0.4 -0.964 19.9-168.1-113.2 134.8 10.4 16.5 105.6 120 336 A H E -cd 13 167A 0 -108,-3.1 -106,-3.0 -2,-0.4 2,-0.5 -0.990 9.6-149.8-130.6 132.1 8.8 16.5 109.0 121 337 A L E -cd 14 168A 0 46,-2.6 48,-2.6 -2,-0.4 2,-0.5 -0.867 6.0-163.7-100.1 128.9 7.9 19.4 111.3 122 338 A F E +cd 15 169A 0 -108,-3.2 -106,-1.8 -2,-0.5 -103,-0.4 -0.951 23.6 156.7-110.1 128.7 7.9 19.0 115.1 123 339 A T E - 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0 0 55 30,-1.9 2,-0.4 -2,-0.3 60,-0.2 -0.523 41.9-117.2 -75.4 143.1 0.1 14.8 102.7 137 353 A V - 0 0 45 -2,-0.2 57,-0.3 8,-0.1 56,-0.1 -0.682 26.4-140.8 -90.3 127.1 -1.0 11.4 101.5 138 354 A G - 0 0 6 55,-2.4 9,-0.2 -2,-0.4 57,-0.1 -0.167 18.1-171.3 -76.8 179.5 1.5 9.6 99.2 139 355 A S - 0 0 34 7,-0.4 7,-0.1 9,-0.2 58,-0.1 -0.968 35.9-115.3-165.3 156.7 0.6 7.5 96.2 140 356 A P S S+ 0 0 39 0, 0.0 -1,-0.0 0, 0.0 2,-0.0 0.693 81.2 109.2 -76.0 -18.4 2.3 5.1 93.8 141 357 A R S S- 0 0 147 1,-0.1 3,-0.3 2,-0.1 -2,-0.2 -0.316 70.3-136.5 -56.5 135.9 1.6 7.4 90.8 142 358 A A S S+ 0 0 83 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.903 103.6 46.7 -59.5 -44.3 4.7 9.2 89.4 143 359 A N S S+ 0 0 72 2,-0.1 -1,-0.2 8,-0.0 -2,-0.1 0.682 81.7 127.2 -76.3 -15.8 2.9 12.6 89.1 144 360 A S - 0 0 10 -3,-0.3 2,-0.7 1,-0.1 -5,-0.1 -0.113 48.9-153.6 -43.4 125.7 1.4 12.4 92.6 145 361 A H + 0 0 68 -7,-0.1 -8,-0.1 18,-0.1 2,-0.1 -0.961 61.5 61.4 -99.2 114.3 2.3 15.5 94.6 146 362 A G S S+ 0 0 6 -2,-0.7 -7,-0.4 1,-0.3 19,-0.2 -0.345 83.5 13.1 141.7 142.3 2.2 14.4 98.2 147 363 A G S S+ 0 0 0 17,-1.6 -1,-0.3 19,-0.3 48,-0.2 -0.224 99.3 19.4 72.6-159.1 3.9 12.0 100.6 148 364 A V S S+ 0 0 2 46,-2.4 -9,-0.2 43,-0.2 -30,-0.2 -0.052 106.3 30.7 -49.6 137.1 7.1 10.0 99.9 149 365 A b S S- 0 0 10 -32,-1.5 -3,-0.3 16,-0.1 -32,-0.2 0.821 87.2 -99.3 85.1 111.0 9.6 11.2 97.2 150 366 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 13,-0.1 -0.282 41.0 174.4 -65.8 135.8 10.1 14.9 96.2 151 367 A K - 0 0 84 11,-0.1 13,-0.4 2,-0.0 11,-0.1 -0.903 27.7-126.9-144.5 109.5 8.2 16.0 93.1 152 368 A A - 0 0 38 -2,-0.3 2,-0.4 11,-0.1 11,-0.2 -0.226 24.7-179.1 -59.5 138.5 8.3 19.7 92.1 153 369 A Y E -G 162 0C 91 9,-1.7 9,-3.2 7,-0.0 2,-0.4 -0.987 28.2-123.8-131.0 136.6 5.2 21.7 91.4 154 370 A Y E -G 161 0C 123 -2,-0.4 7,-0.2 7,-0.3 3,-0.1 -0.655 15.7-156.3 -77.6 129.2 5.5 25.3 90.5 155 371 A S E >> -G 160 0C 14 5,-2.7 4,-1.5 -2,-0.4 5,-1.3 -0.923 2.4-165.2-100.6 105.5 3.7 27.9 92.6 156 372 A P T 45S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.920 94.0 44.5 -55.9 -42.5 3.0 31.0 90.6 157 373 A V T 45S+ 0 0 130 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.887 115.2 46.8 -66.0 -42.0 2.2 32.9 93.8 158 374 A G T 45S- 0 0 17 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.629 101.1-138.6 -72.5 -15.7 5.2 31.5 95.6 159 375 A K T <5S+ 0 0 162 -4,-1.5 2,-0.3 -3,-0.3 -2,-0.1 0.825 72.4 61.4 54.9 39.9 7.4 32.3 92.6 160 376 A K E -H 176 0D 22 3,-3.1 3,-1.4 -2,-0.4 -47,-0.1 -0.968 64.7 -5.6-153.6 138.9 -2.8 18.9 123.3 174 390 A Y T 3 S- 0 0 154 -2,-0.3 3,-0.1 -47,-0.3 -1,-0.1 0.866 131.9 -50.4 39.3 49.1 -5.5 20.3 125.6 175 391 A G T 3 S+ 0 0 51 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.539 121.9 82.8 77.7 12.0 -3.0 22.5 127.3 176 392 A K E < S-H 173 0D 126 -3,-1.4 -3,-3.1 0, 0.0 2,-0.3 -0.954 83.2 -93.2-143.3 160.4 -0.4 19.8 128.0 177 393 A T E -H 172 0D 68 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.556 46.3-128.1 -66.7 131.8 2.5 17.7 126.7 178 394 A I - 0 0 17 -7,-2.0 2,-0.1 -2,-0.3 -1,-0.1 -0.266 35.4 -82.8 -73.6 170.0 1.2 14.4 125.3 179 395 A L > - 0 0 98 1,-0.1 4,-2.5 -2,-0.1 3,-0.2 -0.404 34.3-118.0 -73.9 152.5 2.7 11.1 126.5 180 396 A T H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.892 118.2 51.9 -55.3 -39.3 5.9 9.9 124.8 181 397 A K H > S+ 0 0 74 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.827 109.0 50.6 -71.0 -29.2 4.0 6.9 123.5 182 398 A E H > S+ 0 0 62 -3,-0.2 4,-2.2 2,-0.2 3,-0.4 0.942 108.2 51.6 -69.2 -48.1 1.3 9.2 122.1 183 399 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.895 106.8 54.2 -54.8 -42.9 3.9 11.3 120.3 184 400 A D H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 111.0 46.6 -58.8 -39.3 5.4 8.2 118.7 185 401 A L H X S+ 0 0 9 -4,-1.1 4,-1.8 -3,-0.4 -1,-0.2 0.814 106.8 55.9 -77.9 -32.2 2.0 7.3 117.3 186 402 A V H X S+ 0 0 15 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.959 113.8 41.8 -59.0 -51.1 1.2 10.7 116.0 187 403 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.877 111.6 54.2 -66.0 -41.9 4.4 10.6 113.9 188 404 A T H X S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.914 113.3 45.0 -52.7 -43.4 3.9 7.0 112.8 189 405 A H H X S+ 0 0 26 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.843 113.2 46.8 -74.8 -44.6 0.4 8.0 111.5 190 406 A E H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.929 115.3 46.4 -63.4 -46.2 1.4 11.2 109.7 191 407 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.814 108.3 59.9 -63.7 -29.1 4.4 9.4 108.2 192 408 A G H <>S+ 0 0 0 -4,-1.0 5,-2.6 -5,-0.3 4,-0.3 0.892 105.2 46.2 -64.5 -43.0 1.7 6.7 107.4 193 409 A H H ><5S+ 0 0 14 -4,-1.9 3,-2.4 3,-0.2 -55,-2.4 0.976 111.9 50.9 -57.2 -56.1 -0.2 9.2 105.4 194 410 A N H 3<5S+ 0 0 0 -4,-2.6 -46,-2.4 1,-0.3 -2,-0.2 0.832 108.0 54.1 -48.1 -39.5 3.1 10.3 103.7 195 411 A F T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -48,-0.2 51,-0.2 0.504 132.3 -91.6 -78.8 -8.5 3.6 6.6 103.0 196 412 A G T < 5S+ 0 0 9 -3,-2.4 2,-0.4 -4,-0.3 -3,-0.2 0.454 78.6 132.9 120.1 1.7 0.2 6.3 101.3 197 413 A A < - 0 0 0 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.2 -0.661 35.2-160.2 -91.0 135.0 -2.4 5.3 103.9 198 414 A E - 0 0 127 -2,-0.4 43,-0.1 1,-0.2 21,-0.1 -0.549 48.8 -68.2 -91.4 172.3 -5.8 7.0 104.3 199 415 A H - 0 0 87 -2,-0.2 21,-0.2 1,-0.1 -1,-0.2 -0.303 60.0 -97.8 -61.4 148.2 -7.6 6.6 107.7 200 416 A D - 0 0 6 19,-2.0 2,-0.7 17,-0.1 -1,-0.1 -0.344 38.9-104.5 -64.4 144.5 -9.0 3.1 108.4 201 417 A P > - 0 0 64 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.659 32.5-150.3 -73.8 113.6 -12.7 2.5 107.7 202 418 A D T 3 S+ 0 0 104 -2,-0.7 -2,-0.1 1,-0.3 18,-0.0 0.659 89.6 50.0 -66.5 -18.9 -14.1 2.6 111.2 203 419 A G T 3 S+ 0 0 74 4,-0.0 2,-0.8 3,-0.0 -1,-0.3 0.360 86.1 98.5-102.2 3.0 -17.0 0.3 110.6 204 420 A L X> - 0 0 81 -3,-1.7 4,-1.3 1,-0.1 3,-0.9 -0.860 63.4-156.1 -94.3 112.4 -14.8 -2.4 108.9 205 421 A A T 34 S+ 0 0 77 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.815 88.7 56.7 -56.8 -39.2 -14.1 -5.0 111.6 206 422 A E T 34 S+ 0 0 128 1,-0.2 30,-0.3 2,-0.1 -1,-0.2 0.823 120.1 29.8 -64.4 -29.3 -10.8 -6.3 110.0 207 423 A c T <4 S+ 0 0 2 -3,-0.9 10,-0.6 -6,-0.2 -1,-0.2 0.380 129.8 38.2-114.1 -5.2 -9.2 -2.7 110.0 208 424 A A S < S- 0 0 5 -4,-1.3 -1,-0.2 -3,-0.1 8,-0.2 -0.413 82.5-176.6-142.0 66.8 -11.0 -1.3 113.1 209 425 A P - 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0 0 1 -2,-0.3 -2,-0.1 -17,-0.2 -3,-0.0 -0.826 29.8-128.6 -88.0 135.2 7.7 46.8 126.8 494 451 B S > - 0 0 0 -2,-0.4 4,-2.7 -28,-0.1 -28,-0.1 -0.109 26.8-102.6 -64.6 170.4 8.6 43.4 125.4 495 452 B Q H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.874 126.0 53.6 -61.9 -40.8 6.5 40.2 125.9 496 453 B f H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 112.8 42.8 -59.6 -42.1 9.2 39.1 128.5 497 454 B S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.905 112.7 53.6 -70.8 -42.0 8.7 42.5 130.3 498 455 B K H X S+ 0 0 20 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.902 106.4 54.6 -54.9 -44.8 4.9 42.2 130.0 499 456 B Q H X S+ 0 0 121 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.956 112.6 38.5 -57.8 -59.1 5.0 38.7 131.5 500 457 B S H X S+ 0 0 45 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.889 120.2 46.3 -62.3 -41.8 6.9 39.6 134.8 501 458 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.891 109.7 54.7 -69.7 -39.1 5.0 43.0 135.2 502 459 B Y H X S+ 0 0 53 -4,-3.0 4,-2.5 -5,-0.3 -2,-0.2 0.941 111.1 46.1 -56.4 -47.2 1.7 41.3 134.4 503 460 B K H X S+ 0 0 94 -4,-2.4 4,-1.5 -5,-0.2 5,-0.2 0.930 112.6 49.7 -58.7 -47.8 2.5 38.8 137.3 504 461 B T H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.895 114.7 43.1 -62.4 -41.4 3.6 41.6 139.7 505 462 B I H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.932 104.1 65.0 -71.5 -49.8 0.4 43.7 139.1 506 463 B E H < S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.867 120.4 22.3 -31.4 -51.9 -1.9 40.7 139.2 507 464 B S H >< S+ 0 0 33 -4,-1.5 3,-0.5 -5,-0.1 4,-0.3 0.863 127.8 42.8 -94.0 -41.6 -0.9 40.3 142.9 508 465 B K H >X>S+ 0 0 4 -4,-3.0 4,-1.2 -5,-0.2 3,-0.9 0.626 89.4 83.3 -86.6 -14.7 0.4 43.7 144.1 509 466 B A H 3X5S+ 0 0 6 -4,-2.6 4,-0.8 1,-0.3 -1,-0.2 0.802 90.6 56.8 -60.1 -25.9 -2.3 46.0 142.5 510 467 B Q H <45S+ 0 0 140 -3,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.842 103.3 52.3 -67.0 -39.8 -4.4 45.2 145.5 511 468 B E H <45S- 0 0 86 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.783 131.3 -6.1 -79.7 -34.2 -2.0 46.4 148.1 512 469 B e H <5S+ 0 0 18 -4,-1.2 -243,-0.4 -247,-0.1 2,-0.2 0.505 93.6 112.0-143.1 -9.5 -1.1 49.9 147.1 513 470 B F << - 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