==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-08 3E8R . COMPND 2 MOLECULE: ADAM 17; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH . 505 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 63.4 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 . 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 . 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 . 31 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 24.6 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 1 1 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 1 218 A P 0 0 76 0, 0.0 5,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 113.0 18.1 31.0 41.1 2 219 A D > - 0 0 52 3,-0.2 3,-2.4 1,-0.2 0, 0.0 -0.466 360.0-156.1 -62.9 109.0 15.6 33.7 42.0 3 220 A P G > S+ 0 0 83 0, 0.0 249,-0.7 0, 0.0 3,-0.5 0.680 93.9 62.6 -62.4 -14.1 13.6 32.1 44.8 4 221 A M G 3 S+ 0 0 116 1,-0.3 247,-0.4 247,-0.2 -2,-0.1 0.567 115.6 28.7 -85.8 -11.7 10.8 34.6 43.8 5 222 A K G < S+ 0 0 75 -3,-2.4 -1,-0.3 245,-0.2 -3,-0.2 -0.401 86.6 105.0-146.4 63.8 10.6 33.0 40.4 6 223 A N < + 0 0 22 244,-1.2 53,-1.9 -3,-0.5 2,-0.4 0.437 61.2 77.4-124.3 2.4 11.6 29.3 40.7 7 224 A T E -aB 59 250A 0 243,-2.1 243,-3.1 51,-0.2 2,-0.8 -0.953 61.4-146.8-123.8 130.0 8.3 27.4 40.5 8 225 A a E -a 60 0A 0 51,-3.0 53,-1.9 -2,-0.4 2,-0.3 -0.851 24.4-146.7 -93.7 109.5 6.2 26.6 37.4 9 226 A K E -a 61 0A 17 -2,-0.8 108,-1.6 239,-0.3 107,-0.8 -0.577 17.0-149.2 -76.5 140.3 2.6 26.6 38.7 10 227 A L E -ac 62 117A 1 51,-2.4 53,-3.3 -2,-0.3 54,-1.6 -0.884 20.8-147.3-118.7 143.9 0.3 24.1 36.9 11 228 A L E -ac 64 118A 1 106,-2.4 108,-2.7 -2,-0.4 2,-0.5 -0.947 29.8-163.4 -98.9 115.7 -3.3 23.9 36.0 12 229 A V E -ac 65 119A 0 52,-2.8 54,-2.9 -2,-0.7 2,-0.5 -0.928 4.1-165.8-103.9 131.9 -3.9 20.1 36.4 13 230 A V E -ac 66 120A 0 106,-2.8 108,-3.4 -2,-0.5 2,-0.6 -0.972 9.9-163.7-123.8 128.7 -7.1 18.7 34.7 14 231 A A E -ac 67 121A 0 52,-3.0 54,-2.8 -2,-0.5 108,-0.2 -0.928 19.4-147.5-106.8 118.7 -8.6 15.3 35.4 15 232 A D > - 0 0 0 106,-1.9 4,-2.5 -2,-0.6 5,-0.2 -0.184 32.4 -93.8 -78.5 174.9 -11.0 14.3 32.6 16 233 A H H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.800 125.8 54.8 -58.5 -31.8 -14.2 12.2 33.2 17 234 A R H > S+ 0 0 20 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.934 110.8 43.9 -67.2 -48.2 -12.2 9.0 32.2 18 235 A F H >>S+ 0 0 0 103,-0.3 4,-2.5 2,-0.2 5,-2.3 0.924 112.7 52.4 -60.7 -46.2 -9.5 9.7 34.8 19 236 A Y H <5S+ 0 0 26 -4,-2.5 6,-2.3 49,-0.3 7,-0.6 0.913 117.0 39.3 -56.3 -43.6 -12.1 10.6 37.5 20 237 A R H <5S+ 0 0 163 -4,-2.1 4,-0.4 4,-0.2 -2,-0.2 0.942 126.2 30.8 -72.6 -52.7 -14.0 7.3 36.9 21 238 A Y H <5S+ 0 0 117 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.749 135.0 22.7 -86.2 -28.3 -11.1 4.9 36.4 22 239 A M T <5S+ 0 0 24 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.749 129.0 44.6-104.2 -39.3 -8.3 6.3 38.5 23 240 A G S > - 0 0 97 -3,-1.7 4,-2.2 -7,-0.6 -1,-0.2 -0.964 59.2-149.6-124.8 134.4 -14.4 10.2 43.9 27 244 A E H > S+ 0 0 95 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.913 99.8 51.5 -61.1 -44.8 -13.0 13.7 44.1 28 245 A S H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 111.5 45.7 -62.6 -44.0 -10.7 12.9 47.1 29 246 A T H > S+ 0 0 52 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.926 114.9 49.8 -64.5 -43.3 -9.1 9.8 45.4 30 247 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 -7,-0.4 -2,-0.2 0.935 115.3 41.1 -57.9 -56.9 -8.7 11.8 42.1 31 248 A T H X S+ 0 0 26 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.914 112.0 54.6 -63.7 -42.4 -7.0 14.8 43.8 32 249 A N H X S+ 0 0 89 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.921 107.4 51.7 -59.2 -42.4 -4.8 12.8 46.2 33 250 A Y H X S+ 0 0 39 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.943 115.5 40.7 -57.4 -50.7 -3.4 10.7 43.3 34 251 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.890 112.7 53.4 -68.0 -41.2 -2.5 13.9 41.3 35 252 A I H X S+ 0 0 83 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.931 114.7 42.4 -57.9 -45.4 -1.2 15.8 44.3 36 253 A E H X S+ 0 0 115 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.890 113.0 52.6 -72.3 -39.7 1.1 13.0 45.2 37 254 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.965 111.7 45.2 -60.6 -48.7 2.2 12.4 41.6 38 255 A I H X S+ 0 0 5 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.890 110.7 54.3 -63.7 -38.9 3.2 16.0 41.1 39 256 A D H X S+ 0 0 88 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.941 109.9 47.1 -61.5 -42.5 5.0 16.2 44.4 40 257 A R H X S+ 0 0 74 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.910 114.0 46.8 -65.8 -40.0 7.1 13.2 43.5 41 258 A V H >X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.930 108.4 56.5 -65.8 -42.7 7.9 14.6 40.1 42 259 A D H 3X S+ 0 0 4 -4,-3.3 4,-3.4 1,-0.2 5,-0.4 0.900 100.7 58.4 -53.4 -41.9 8.7 18.0 41.7 43 260 A D H 3X S+ 0 0 59 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.895 106.4 49.0 -57.4 -38.2 11.3 16.2 43.9 44 261 A I H << S+ 0 0 35 -4,-1.2 4,-0.3 -3,-0.5 -2,-0.2 0.958 117.7 39.2 -64.6 -49.6 13.0 15.1 40.7 45 262 A Y H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 13,-0.4 0.939 115.0 50.2 -64.6 -53.0 13.0 18.6 39.2 46 263 A R H 3< S+ 0 0 66 -4,-3.4 11,-1.7 1,-0.3 -1,-0.2 0.831 111.6 49.7 -58.6 -33.1 13.8 20.6 42.3 47 264 A N T 3< S+ 0 0 109 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.3 0.466 89.0 105.1 -87.1 -2.8 16.8 18.3 43.1 48 265 A T < - 0 0 15 -3,-1.5 2,-0.9 -4,-0.3 9,-0.4 -0.688 62.7-148.8 -84.8 129.7 18.2 18.6 39.6 49 266 A A > - 0 0 19 -2,-0.4 3,-1.2 7,-0.2 7,-0.3 -0.856 11.3-164.8 -96.0 95.7 21.3 20.9 39.2 50 267 A W T 3 S+ 0 0 3 5,-2.3 188,-0.3 -2,-0.9 -1,-0.2 0.752 89.8 33.4 -56.0 -27.7 20.6 22.1 35.6 51 268 A D T 3 S- 0 0 55 4,-0.4 -1,-0.3 -3,-0.1 3,-0.1 0.322 115.6-109.6-109.5 5.7 24.2 23.4 35.2 52 269 A N S < S+ 0 0 92 -3,-1.2 -2,-0.1 3,-0.2 4,-0.1 0.689 100.2 64.3 70.0 23.3 25.8 20.7 37.4 53 270 A A S S- 0 0 63 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.059 117.3 -37.5-134.7-113.6 26.5 23.3 40.0 54 271 A G S S+ 0 0 48 -3,-0.1 2,-1.7 1,-0.1 -5,-0.0 0.231 93.3 110.2-112.3 13.1 24.1 25.4 42.1 55 272 A F + 0 0 13 2,-0.0 -5,-2.3 3,-0.0 -4,-0.4 -0.621 56.0 112.7 -88.1 73.4 21.5 26.1 39.5 56 273 A K + 0 0 115 -2,-1.7 -7,-0.2 -7,-0.3 -9,-0.2 -0.833 26.4 78.2-133.3 174.5 18.9 23.8 41.3 57 274 A G + 0 0 20 -11,-1.7 2,-0.4 -9,-0.4 -11,-0.2 0.480 58.3 132.2 99.5 3.4 15.7 24.4 43.2 58 275 A Y + 0 0 2 -13,-0.4 -1,-0.3 -10,-0.4 -10,-0.3 -0.750 30.4 135.7 -88.2 130.5 13.4 24.9 40.1 59 276 A G E -a 7 0A 0 -53,-1.9 -51,-3.0 -2,-0.4 2,-0.3 -0.727 45.4 -89.1-153.4-158.1 10.2 22.8 40.2 60 277 A I E -a 8 0A 1 -53,-0.2 2,-0.3 -2,-0.2 -51,-0.2 -0.947 25.5-178.2-133.8 147.8 6.5 22.5 39.8 61 278 A Q E -a 9 0A 41 -53,-1.9 -51,-2.4 -2,-0.3 2,-0.3 -0.992 31.5-112.4-147.8 141.8 3.5 23.1 42.0 62 279 A I E +a 10 0A 48 -2,-0.3 -51,-0.2 -53,-0.2 3,-0.1 -0.577 27.6 177.5 -75.5 131.5 -0.2 22.7 41.4 63 280 A E E S- 0 0 96 -53,-3.3 2,-0.3 1,-0.4 -52,-0.2 0.762 72.1 -1.9 -96.3 -39.9 -2.2 26.0 41.3 64 281 A Q E -a 11 0A 86 -54,-1.6 -52,-2.8 2,-0.0 2,-0.5 -0.975 56.2-150.0-152.3 143.5 -5.5 24.4 40.6 65 282 A I E -a 12 0A 33 -2,-0.3 2,-0.5 -54,-0.2 -52,-0.2 -0.967 14.6-160.0-113.2 120.9 -7.0 21.0 39.9 66 283 A R E -a 13 0A 74 -54,-2.9 -52,-3.0 -2,-0.5 2,-0.6 -0.846 6.5-161.4-101.5 131.4 -10.0 20.9 37.7 67 284 A I E -a 14 0A 35 -2,-0.5 2,-0.9 -54,-0.2 -52,-0.2 -0.915 6.6-162.8-119.8 109.8 -12.1 17.7 38.0 68 285 A L - 0 0 34 -54,-2.8 -49,-0.3 -2,-0.6 -50,-0.1 -0.778 8.0-177.7 -93.3 104.1 -14.5 16.8 35.2 69 286 A K + 0 0 110 -2,-0.9 -1,-0.2 -50,-0.1 -54,-0.1 0.718 66.1 25.4 -75.7 -21.6 -16.8 14.3 36.7 70 287 A S S S- 0 0 79 -51,-0.0 -54,-0.2 1,-0.0 -53,-0.1 -0.936 94.4 -82.9-140.7 161.4 -18.9 13.6 33.6 71 288 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.228 46.9-107.9 -63.8 151.1 -18.3 13.8 29.9 72 289 A Q - 0 0 82 10,-2.3 12,-0.5 8,-0.1 2,-0.2 -0.726 32.0-129.0 -79.1 125.1 -18.8 17.2 28.1 73 290 A E - 0 0 179 -2,-0.5 2,-0.3 10,-0.1 9,-0.1 -0.533 30.2-169.1 -74.1 139.2 -22.0 17.2 26.0 74 291 A V - 0 0 47 -2,-0.2 3,-0.1 4,-0.1 5,-0.1 -0.913 23.7-116.2-129.0 153.4 -21.4 18.4 22.5 75 292 A K > - 0 0 158 -2,-0.3 3,-2.8 1,-0.1 0, 0.0 -0.578 60.0 -73.8 -81.8 152.8 -23.6 19.4 19.6 76 293 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.228 124.2 15.1 -51.3 134.4 -23.4 17.0 16.6 77 294 A G T 3 S+ 0 0 80 1,-0.3 2,-0.4 -3,-0.1 -2,-0.0 0.389 102.9 113.4 80.7 -4.2 -20.1 17.7 14.7 78 295 A E < - 0 0 82 -3,-2.8 2,-0.3 2,-0.0 -1,-0.3 -0.787 50.5-158.5 -98.6 141.9 -18.7 19.6 17.7 79 296 A K + 0 0 76 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.880 14.0 177.7-124.1 153.9 -15.7 18.2 19.6 80 297 A H > - 0 0 31 -2,-0.3 3,-1.8 -8,-0.1 24,-0.1 -0.978 38.5-120.7-147.9 142.8 -14.3 18.8 23.2 81 298 A Y T 3 S+ 0 0 5 22,-0.3 23,-0.1 -2,-0.3 6,-0.1 0.778 115.3 46.3 -59.7 -21.9 -11.4 17.1 24.9 82 299 A N T 3 S+ 0 0 3 -67,-0.1 -10,-2.3 -9,-0.1 -1,-0.3 0.215 83.7 125.4-103.2 10.4 -13.7 15.9 27.7 83 300 A M S < S- 0 0 1 -3,-1.8 -10,-0.1 -12,-0.3 -67,-0.0 -0.272 70.8-115.1 -66.1 160.2 -16.5 14.5 25.4 84 301 A A S S+ 0 0 67 -12,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.895 91.3 71.3 -63.9 -45.9 -17.6 10.9 25.8 85 302 A K S S- 0 0 86 1,-0.1 2,-0.2 9,-0.0 -2,-0.1 -0.455 81.9-118.8 -79.6 149.7 -16.5 9.7 22.4 86 303 A S - 0 0 7 4,-0.4 9,-0.1 6,-0.3 8,-0.1 -0.515 41.9-104.8 -74.7 156.7 -12.9 9.2 21.1 87 304 A Y S S+ 0 0 73 -2,-0.2 9,-2.1 1,-0.2 13,-0.1 -0.995 85.6 0.6-138.8 137.4 -11.8 11.2 18.2 88 305 A P S S+ 0 0 74 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.995 136.8 38.2 -90.1 -4.2 -11.4 10.8 15.2 89 306 A N > - 0 0 71 5,-0.3 3,-2.0 1,-0.1 -3,-0.1 -0.854 61.5-171.3-112.6 96.6 -12.4 7.1 15.5 90 307 A E T 3 S+ 0 0 135 -2,-0.7 -4,-0.4 1,-0.3 -1,-0.1 0.672 84.4 65.9 -59.2 -17.2 -15.2 6.7 18.0 91 308 A E T 3 S+ 0 0 165 -6,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.663 88.4 82.3 -78.5 -18.9 -14.8 2.9 17.8 92 309 A K S < S- 0 0 99 -3,-2.0 -6,-0.3 2,-0.2 34,-0.1 -0.525 84.8-124.3 -85.5 156.1 -11.3 3.1 19.5 93 310 A D S S+ 0 0 72 32,-0.2 2,-0.3 -2,-0.2 33,-0.1 0.754 91.1 33.9 -66.7 -27.1 -10.8 3.3 23.2 94 311 A A S S- 0 0 8 31,-0.3 -5,-0.3 30,-0.2 -2,-0.2 -0.886 80.3-106.2-132.1 164.2 -8.8 6.5 22.7 95 312 A W - 0 0 6 -2,-0.3 2,-0.4 -9,-0.1 32,-0.3 -0.308 52.8 -90.0 -70.6 164.8 -8.3 9.7 20.7 96 313 A D > - 0 0 73 -9,-2.1 4,-1.9 1,-0.1 5,-0.2 -0.703 47.7-130.5 -71.0 127.7 -5.4 10.1 18.3 97 314 A V H > S+ 0 0 25 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.859 101.2 50.0 -59.6 -39.3 -3.0 11.5 20.9 98 315 A K H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 111.7 48.7 -66.4 -43.8 -1.8 14.5 18.9 99 316 A M H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 110.2 51.7 -63.1 -36.9 -5.4 15.5 18.1 100 317 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.914 109.6 48.9 -66.3 -45.3 -6.3 15.2 21.8 101 318 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.939 113.3 47.7 -60.3 -43.7 -3.4 17.4 22.9 102 319 A E H X S+ 0 0 73 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 114.2 47.9 -62.3 -42.0 -4.4 20.0 20.2 103 320 A Q H X S+ 0 0 23 -4,-2.4 4,-2.8 2,-0.2 -22,-0.3 0.912 110.2 49.4 -66.6 -45.9 -8.0 19.8 21.4 104 321 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.931 111.3 51.8 -57.2 -45.9 -7.3 20.2 25.1 105 322 A S H < S+ 0 0 0 -4,-2.4 54,-0.5 -5,-0.3 4,-0.4 0.916 111.4 46.9 -59.4 -40.0 -5.1 23.2 24.2 106 323 A F H >< S+ 0 0 60 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.944 113.9 46.4 -66.1 -50.6 -7.9 24.8 22.3 107 324 A D H 3< S+ 0 0 35 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.818 119.5 38.8 -65.9 -30.7 -10.6 24.1 25.0 108 325 A I T 3X S+ 0 0 1 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.284 78.3 116.8-104.2 13.5 -8.4 25.4 27.9 109 326 A A H <> S+ 0 0 3 -3,-1.0 4,-2.0 -4,-0.4 -1,-0.2 0.862 74.9 51.8 -48.3 -46.3 -6.8 28.3 26.2 110 327 A E H 4 S+ 0 0 110 -4,-0.3 4,-0.3 -3,-0.2 -1,-0.2 0.947 116.6 39.6 -59.3 -48.2 -8.3 31.0 28.4 111 328 A E H >4 S+ 0 0 49 1,-0.2 3,-1.6 -4,-0.2 -1,-0.2 0.901 112.6 56.7 -67.2 -40.8 -7.1 29.1 31.6 112 329 A A H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.813 95.2 65.9 -62.9 -32.2 -3.7 28.2 30.1 113 330 A S T 3< S+ 0 0 42 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.630 101.9 49.7 -62.0 -17.9 -2.9 31.8 29.3 114 331 A K T < S+ 0 0 134 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.331 106.7 59.6-104.1 2.0 -2.8 32.5 33.1 115 332 A V S < S- 0 0 7 -3,-1.4 3,-0.1 -4,-0.2 -105,-0.1 -0.904 79.2-120.8-129.4 163.0 -0.5 29.6 34.2 116 333 A a S S- 0 0 4 -107,-0.8 29,-1.8 -2,-0.3 2,-0.3 0.952 96.0 -4.2 -65.5 -50.1 3.0 28.4 33.5 117 334 A L E -c 10 0A 0 -108,-1.6 -106,-2.4 27,-0.2 2,-0.4 -0.997 56.5-150.2-141.4 155.2 1.7 25.0 32.3 118 335 A A E -cd 11 162A 0 43,-2.5 45,-1.0 -2,-0.3 2,-0.4 -0.961 18.5-169.2-120.4 137.7 -1.6 23.1 31.9 119 336 A H E -cd 12 163A 1 -108,-2.7 -106,-2.8 -2,-0.4 2,-0.5 -0.991 10.7-150.4-132.5 129.2 -1.5 19.3 32.0 120 337 A L E -cd 13 164A 0 43,-2.3 45,-2.5 -2,-0.4 2,-0.5 -0.834 7.1-162.8 -96.0 129.2 -4.3 16.9 31.2 121 338 A F E +cd 14 165A 0 -108,-3.4 -106,-1.9 -2,-0.5 -103,-0.3 -0.956 24.0 161.1-110.9 125.6 -4.5 13.5 33.0 122 339 A T E - 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0 0 11 -7,-2.8 -1,-0.1 -2,-0.3 2,-0.0 -0.353 33.0 -93.6 -72.2 157.3 0.0 1.6 34.7 175 395 A L >> - 0 0 81 1,-0.1 4,-2.4 -2,-0.0 3,-0.6 -0.387 30.8-117.6 -66.4 154.2 2.0 1.4 38.0 176 396 A T H 3> S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 118.1 56.2 -60.7 -37.9 2.4 4.6 39.9 177 397 A K H 3> S+ 0 0 105 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.827 109.6 46.6 -61.7 -28.8 6.2 4.4 39.4 178 398 A E H <> S+ 0 0 76 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.883 109.3 53.0 -77.3 -42.6 5.5 4.2 35.6 179 399 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.907 105.1 56.2 -61.3 -40.4 3.0 7.2 35.7 180 400 A D H X S+ 0 0 24 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 107.3 49.4 -54.7 -46.0 5.7 9.3 37.5 181 401 A L H X S+ 0 0 32 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.885 109.6 51.2 -63.0 -42.1 8.1 8.6 34.6 182 402 A V H X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.938 113.4 42.6 -60.5 -51.3 5.5 9.6 32.0 183 403 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.922 113.2 53.7 -66.1 -36.0 4.6 12.9 33.6 184 404 A T H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.922 111.2 46.9 -60.6 -43.5 8.3 13.6 34.2 185 405 A H H X S+ 0 0 24 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 113.2 47.0 -65.4 -44.5 9.0 13.0 30.5 186 406 A E H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.931 114.1 46.1 -67.3 -44.4 6.1 15.1 29.2 187 407 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -1,-0.3 0.802 106.2 63.5 -65.1 -28.5 7.0 18.0 31.6 188 408 A G H X>S+ 0 0 0 -4,-1.4 5,-2.8 -5,-0.3 4,-0.6 0.933 104.0 45.2 -58.8 -50.1 10.6 17.4 30.4 189 409 A H H ><5S+ 0 0 17 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.932 111.5 53.3 -57.4 -46.0 9.6 18.4 26.9 190 410 A N H 3<5S+ 0 0 3 -4,-2.3 -46,-2.6 1,-0.3 -2,-0.2 0.880 107.1 51.1 -57.9 -41.2 7.7 21.3 28.4 191 411 A F H 3<5S- 0 0 4 -4,-2.6 -1,-0.3 -48,-0.2 49,-0.2 0.579 132.0 -95.5 -72.8 -7.4 10.9 22.4 30.2 192 412 A G T <<5S+ 0 0 23 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.443 75.8 139.5 111.3 4.5 12.7 22.2 26.8 193 413 A A < - 0 0 0 -5,-2.8 -1,-0.3 -6,-0.1 2,-0.2 -0.606 34.7-154.2 -84.2 142.9 14.3 18.7 26.7 194 414 A E - 0 0 89 -2,-0.3 -56,-0.1 1,-0.2 42,-0.1 -0.480 42.5 -69.7-101.2 171.8 14.3 16.6 23.5 195 415 A H - 0 0 87 -58,-0.3 21,-0.2 -2,-0.2 -1,-0.2 -0.395 54.3-108.5 -62.1 138.9 14.5 12.9 23.4 196 416 A D - 0 0 4 19,-1.4 2,-0.3 17,-0.1 -1,-0.1 -0.569 37.9-131.4 -66.0 133.5 17.9 11.5 24.4 197 417 A P > - 0 0 60 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.668 7.3-133.2 -92.6 144.7 19.7 10.0 21.3 198 418 A D T 3 S+ 0 0 114 -2,-0.3 6,-0.2 1,-0.3 5,-0.1 0.857 102.1 69.2 -57.2 -37.6 21.4 6.6 21.0 199 419 A G T 3 S+ 0 0 77 1,-0.2 2,-0.6 4,-0.1 -1,-0.3 0.519 89.1 67.0 -61.9 -9.9 24.5 8.2 19.5 200 420 A L X> - 0 0 93 -3,-1.7 3,-1.4 1,-0.1 4,-0.9 -0.864 63.9-171.9-116.5 95.0 25.4 9.9 22.8 201 421 A A T 34 S+ 0 0 70 -2,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.813 84.2 61.7 -54.4 -36.0 26.4 7.2 25.2 202 422 A E T 34 S+ 0 0 135 1,-0.2 29,-0.3 2,-0.1 -1,-0.3 0.850 113.2 37.0 -58.3 -34.3 26.6 9.7 28.1 203 423 A c T <4 S+ 0 0 0 -3,-1.4 10,-0.5 1,-0.2 -1,-0.2 0.461 127.0 34.6 -98.5 -7.0 22.9 10.4 27.5 204 424 A A S < S- 0 0 6 -4,-0.9 -1,-0.2 -3,-0.4 8,-0.2 -0.493 81.9-174.3-145.3 66.7 21.7 6.9 26.7 205 425 A P - 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0 0 39 -3,-2.0 -12,-0.0 -21,-0.2 -21,-0.0 -0.360 68.8-126.3 -63.8 142.9 14.7 8.3 26.2 217 437 A P S S+ 0 0 67 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.647 88.6 72.9 -75.6 -7.7 12.0 7.9 23.5 218 438 A I 0 0 128 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.902 360.0 360.0-108.0 130.5 11.0 4.3 24.6 219 439 A A 0 0 121 -2,-0.5 -5,-0.0 -90,-0.1 -41,-0.0 -0.581 360.0 360.0 -77.8 360.0 9.1 3.7 27.8 220 ! 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 0.0 221 442 A G 0 0 36 0, 0.0 6,-0.1 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 32.3 11.7 2.4 35.8 222 443 A D + 0 0 120 4,-0.1 2,-0.2 3,-0.0 5,-0.0 0.718 360.0 90.5 -80.8 -18.6 13.6 -0.1 37.8 223 444 A H S > S- 0 0 65 1,-0.1 3,-0.7 -11,-0.1 4,-0.5 -0.476 84.9-116.9 -83.4 148.1 17.1 1.2 36.6 224 445 A E G > S+ 0 0 155 1,-0.2 3,-0.5 -2,-0.2 -13,-0.1 0.839 111.4 43.9 -47.9 -45.8 19.0 3.8 38.4 225 446 A N G > S+ 0 0 10 -15,-2.4 3,-2.8 1,-0.2 -11,-0.6 0.754 88.0 90.9 -76.4 -23.6 19.0 6.4 35.6 226 447 A N G < S+ 0 0 22 -3,-0.7 -1,-0.2 -16,-0.5 -2,-0.1 0.746 91.2 41.4 -44.4 -39.1 15.3 6.0 34.6 227 448 A K G < S+ 0 0 121 -3,-0.5 -1,-0.3 -4,-0.5 2,-0.3 0.284 106.0 79.0 -97.0 9.4 14.0 8.7 37.0 228 449 A M S < S- 0 0 70 -3,-2.8 -14,-2.7 -16,-0.2 2,-0.3 -0.780 79.0-114.5-115.7 162.2 16.8 11.2 36.3 229 450 A F - 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0 0 38 -3,-1.8 -18,-0.1 -21,-0.2 -12,-0.0 -0.335 63.1-124.6 -60.6 146.6 56.8 29.6 44.1 472 437 B P S S+ 0 0 53 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.648 87.2 67.5 -76.3 -12.7 55.4 29.6 40.5 473 438 B I - 0 0 107 2,-0.1 2,-1.4 1,-0.0 -2,-0.1 -0.928 69.1-146.7-115.2 126.2 52.7 26.9 41.0 474 439 B A + 0 0 67 -2,-0.5 2,-0.3 -93,-0.1 3,-0.1 -0.600 53.6 118.3 -90.2 79.8 49.6 27.3 43.2 475 440 B V + 0 0 111 -2,-1.4 3,-0.1 1,-0.2 -2,-0.1 -1.000 66.7 2.7-143.7 149.0 49.1 23.8 44.5 476 441 B S - 0 0 64 -2,-0.3 2,-1.3 1,-0.2 3,-0.3 0.954 61.7-175.2 45.5 61.7 49.0 22.0 47.9 477 442 B G + 0 0 18 1,-0.2 -1,-0.2 -3,-0.1 -41,-0.1 -0.334 49.6 104.9 -81.8 54.7 49.6 25.1 50.0 478 443 B D + 0 0 98 -2,-1.3 2,-0.3 -3,-0.1 -1,-0.2 0.089 48.7 99.6-125.8 25.7 49.8 23.2 53.3 479 444 B H S > S- 0 0 48 -3,-0.3 3,-1.1 -12,-0.1 4,-0.4 -0.797 79.2-111.0-112.8 153.6 53.5 23.2 54.2 480 445 B E G > S+ 0 0 143 -2,-0.3 3,-0.7 1,-0.3 4,-0.2 0.826 112.7 46.3 -51.5 -45.8 55.3 25.5 56.6 481 446 B N G > S+ 0 0 9 -16,-2.6 3,-1.8 1,-0.2 -12,-0.5 0.666 88.9 88.7 -75.4 -16.4 57.3 27.5 54.2 482 447 B N G < S+ 0 0 16 -3,-1.1 -1,-0.2 -17,-0.5 -11,-0.2 0.760 89.4 45.7 -55.4 -31.8 54.4 28.1 51.8 483 448 B K G < S+ 0 0 105 -3,-0.7 -1,-0.3 -4,-0.4 2,-0.2 0.554 105.6 77.2 -89.1 -9.6 53.2 31.3 53.5 484 449 B M S < S- 0 0 69 -3,-1.8 -15,-3.4 -17,-0.2 2,-0.3 -0.614 80.6-105.9-101.8 164.9 56.7 32.8 53.8 485 450 B F - 0 0 7 -2,-0.2 -2,-0.1 -17,-0.2 2,-0.0 -0.658 28.5-133.9 -91.7 141.0 59.2 34.6 51.6 486 451 B S > - 0 0 1 -2,-0.3 4,-2.0 -28,-0.1 5,-0.1 -0.253 30.9-102.6 -77.8 174.1 62.4 32.9 50.2 487 452 B Q H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.847 123.0 58.0 -64.7 -36.3 65.8 34.6 50.3 488 453 B f H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 108.0 44.3 -61.1 -47.2 65.3 35.3 46.5 489 454 B S H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.896 111.8 54.1 -64.5 -38.4 62.1 37.3 47.1 490 455 B K H X S+ 0 0 30 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.936 106.5 51.8 -62.8 -43.7 63.7 39.1 50.1 491 456 B Q H X S+ 0 0 138 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.939 114.8 41.7 -58.8 -46.7 66.6 40.2 47.9 492 457 B S H X S+ 0 0 12 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.934 117.9 45.7 -66.4 -46.7 64.2 41.6 45.3 493 458 B I H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.837 105.1 61.4 -66.3 -35.9 61.8 43.2 47.8 494 459 B Y H X S+ 0 0 94 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.894 103.2 51.6 -58.8 -39.9 64.6 44.7 49.8 495 460 B K H X S+ 0 0 132 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.2 0.928 111.9 47.1 -61.2 -48.5 65.6 46.7 46.8 496 461 B T H >X S+ 0 0 7 -4,-1.4 4,-3.5 -50,-0.3 3,-1.6 0.987 112.1 48.4 -54.1 -61.4 62.0 47.9 46.4 497 462 B I H 3X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.3 5,-0.4 0.856 106.4 56.0 -52.2 -43.1 61.6 48.9 50.1 498 463 B E H 3< S+ 0 0 69 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.782 122.0 29.8 -62.0 -26.9 64.8 50.8 50.2 499 464 B S H << S+ 0 0 85 -3,-1.6 4,-0.5 -4,-1.0 -2,-0.2 0.795 123.6 41.1-102.3 -34.3 63.6 52.9 47.3 500 465 B K H X>S+ 0 0 48 -4,-3.5 4,-2.6 2,-0.2 5,-0.7 0.707 95.7 69.5 -94.6 -22.6 59.7 53.0 47.6 501 466 B A H X5S+ 0 0 7 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.1 0.945 102.0 49.8 -61.1 -44.3 58.9 53.5 51.3 502 467 B Q H 45S+ 0 0 85 -5,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.2 50.7 -60.2 -35.7 60.2 57.1 51.2 503 468 B E H 45S- 0 0 113 -4,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.874 137.7 -15.4 -71.7 -43.7 58.1 57.6 48.1 504 469 B e H <5S+ 0 0 25 -4,-2.6 -243,-0.3 -247,-0.1 -3,-0.2 0.499 94.7 112.6-145.4 -3.3 54.7 56.4 49.3 505 470 B F << - 0 0 5 -4,-1.5 -245,-0.2 -5,-0.7 2,-0.2 -0.488 44.0-168.4 -76.4 148.7 54.8 54.3 52.5 506 471 B Q B -I 259 0D 83 -247,-3.1 -247,-2.3 -2,-0.1 -248,-1.0 -0.636 29.2 -80.4-124.9-178.1 53.2 55.8 55.6 507 472 B E 0 0 145 -250,-0.2 -250,-0.1 -2,-0.2 -1,-0.1 -0.483 360.0 360.0 -78.1 159.8 53.0 55.2 59.4 508 473 B R 0 0 141 -252,-0.2 -1,-0.1 -2,-0.1 -251,-0.0 0.892 360.0 360.0 -60.2 360.0 50.5 52.5 60.5