==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-OCT-10 3PDC . COMPND 2 MOLECULE: EPOXIDE HYDROLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.G.KURUMBAIL,J.M.WILLIAMS . 646 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 64 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 6 2 0 4 4 2 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 224 A A 0 0 116 0, 0.0 306,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.2 -4.5 17.8 18.0 2 225 A P - 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.148 360.0 -76.3 -60.4 157.7 -1.2 17.4 19.8 3 226 A L - 0 0 108 1,-0.1 3,-0.1 303,-0.0 302,-0.0 -0.317 56.1-123.0 -57.5 132.4 1.1 14.5 19.0 4 227 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.027 44.7 -55.4 -70.1 178.0 -0.2 11.2 20.6 5 228 A T - 0 0 112 46,-0.1 50,-0.2 1,-0.1 2,-0.1 -0.264 59.4-160.4 -58.1 136.5 1.5 8.8 23.0 6 229 A S - 0 0 45 -3,-0.1 2,-0.4 48,-0.1 45,-0.1 -0.207 17.2 -96.9-104.8-164.1 4.9 7.5 21.8 7 230 A C - 0 0 6 40,-0.1 43,-0.1 -2,-0.1 5,-0.1 -0.977 17.9-154.5-128.4 125.8 7.2 4.5 22.6 8 231 A N > - 0 0 87 -2,-0.4 3,-1.4 1,-0.1 0, 0.0 -0.860 17.7-140.0 -97.8 123.1 10.2 4.4 24.8 9 232 A P G > S+ 0 0 31 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.884 97.6 49.3 -46.6 -56.4 12.7 1.6 23.8 10 233 A S G 3 S+ 0 0 99 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.428 107.6 58.6 -70.2 0.2 13.8 0.3 27.3 11 234 A D G < S+ 0 0 126 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.076 92.1 93.0-115.2 20.8 10.1 0.1 28.3 12 235 A M S < S- 0 0 35 -3,-1.5 2,-0.7 -5,-0.1 18,-0.1 -0.607 78.7-113.9-110.9 169.6 9.1 -2.3 25.5 13 236 A S - 0 0 65 16,-0.4 16,-2.0 -2,-0.2 2,-0.8 -0.919 31.5-156.5-105.8 105.5 8.8 -6.0 25.2 14 237 A H E -A 28 0A 63 -2,-0.7 2,-0.3 14,-0.2 14,-0.2 -0.768 11.4-172.2 -90.2 111.0 11.5 -7.2 22.7 15 238 A G E -A 27 0A 16 12,-2.0 12,-1.5 -2,-0.8 2,-0.4 -0.724 4.4-161.6-100.4 151.7 10.7 -10.5 21.1 16 239 A Y E -A 26 0A 89 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.996 7.6-178.1-134.6 137.9 13.0 -12.5 18.9 17 240 A V E -A 25 0A 18 8,-2.3 8,-1.8 -2,-0.4 2,-0.3 -0.878 15.6-151.4-143.5 109.5 12.2 -15.3 16.4 18 241 A T E +A 24 0A 67 -2,-0.3 6,-0.2 6,-0.3 80,-0.1 -0.580 17.3 173.4 -76.0 133.9 14.7 -17.3 14.3 19 242 A V E S+ 0 0 11 4,-2.4 -1,-0.1 1,-0.4 5,-0.1 0.359 74.0 16.2-120.1 -2.7 13.0 -18.5 11.0 20 243 A K E > S-A 23 0A 75 3,-1.1 3,-1.0 1,-0.1 -1,-0.4 -0.924 91.3-100.8-161.5 154.0 16.1 -19.9 9.5 21 244 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.921 124.4 34.0 -51.6 -45.0 19.5 -20.7 11.1 22 245 A R T 3 S+ 0 0 197 1,-0.1 2,-0.5 -3,-0.1 54,-0.1 0.406 110.1 76.6 -91.8 2.2 21.1 -17.5 9.8 23 246 A V E < +A 20 0A 0 -3,-1.0 -4,-2.4 52,-0.1 -3,-1.1 -0.924 47.4 169.9-124.6 118.0 17.9 -15.3 10.1 24 247 A R E -A 18 0A 107 -2,-0.5 51,-1.9 -6,-0.2 2,-0.4 -0.934 16.6-157.6-127.1 108.8 16.5 -13.9 13.3 25 248 A L E -A 17 0A 0 -8,-1.8 -8,-2.3 -2,-0.5 2,-0.2 -0.702 10.7-157.7 -87.0 131.2 13.7 -11.3 13.0 26 249 A H E +A 16 0A 0 -2,-0.4 41,-2.2 41,-0.4 2,-0.3 -0.508 16.5 165.1-101.4 168.7 13.2 -9.0 16.0 27 250 A F E -AB 15 66A 5 -12,-1.5 -12,-2.0 39,-0.2 2,-0.4 -0.972 32.5-117.8-173.3 167.2 10.1 -7.1 17.1 28 251 A V E -AB 14 65A 0 37,-1.9 37,-3.2 -2,-0.3 2,-0.4 -0.947 28.6-156.9-117.0 143.7 8.3 -5.1 19.9 29 252 A E E + B 0 64A 44 -16,-2.0 -16,-0.4 -2,-0.4 2,-0.3 -0.979 20.0 155.9-132.1 133.9 5.1 -6.3 21.3 30 253 A L E + B 0 63A 68 33,-1.8 33,-2.5 -2,-0.4 2,-0.1 -0.993 39.9 25.1-152.8 140.1 2.3 -4.5 23.2 31 254 A G - 0 0 41 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.201 63.4-100.7 98.5 167.0 -1.4 -5.1 23.8 32 255 A S S S+ 0 0 93 25,-0.4 -2,-0.0 29,-0.3 0, 0.0 -0.953 70.6 45.7-129.0 151.3 -4.0 -8.0 23.9 33 256 A G S S+ 0 0 41 -2,-0.3 29,-0.2 28,-0.2 28,-0.2 -0.722 94.3 14.4 115.6-169.4 -6.5 -9.1 21.3 34 257 A P S S- 0 0 49 0, 0.0 28,-2.1 0, 0.0 2,-0.2 -0.085 83.7-109.8 -42.6 126.9 -6.4 -9.8 17.5 35 258 A A E -c 62 0A 16 68,-0.2 70,-2.6 26,-0.2 2,-0.5 -0.449 36.3-174.6 -66.1 128.4 -2.7 -10.0 16.3 36 259 A V E -cd 63 105A 0 26,-2.4 28,-2.6 -2,-0.2 2,-0.5 -0.985 9.3-156.3-130.0 114.4 -1.7 -7.0 14.2 37 260 A C E -cd 64 106A 4 68,-2.9 70,-2.3 -2,-0.5 2,-0.5 -0.838 6.1-154.4 -94.6 125.6 1.7 -7.1 12.7 38 261 A L E -cd 65 107A 0 26,-2.6 28,-2.2 -2,-0.5 2,-0.5 -0.889 9.7-171.3-105.5 122.8 3.3 -3.8 11.8 39 262 A C E -cd 66 108A 0 68,-2.4 70,-1.0 -2,-0.5 77,-0.1 -0.950 8.1-152.2-118.8 124.2 5.9 -3.6 9.0 40 263 A H - 0 0 1 26,-0.5 72,-0.9 -2,-0.5 69,-0.5 0.105 11.1-126.7 -76.1-170.0 8.0 -0.5 8.2 41 264 A G > - 0 0 0 70,-0.2 3,-3.0 4,-0.2 69,-0.2 -0.608 48.9 -26.6-128.8-172.3 9.6 0.7 5.0 42 265 A F T 3 S- 0 0 13 1,-0.3 3,-0.1 -2,-0.2 69,-0.0 -0.767 124.0 -2.0 -91.9 130.1 13.1 1.8 3.8 43 266 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 195,-0.0 -0.224 110.2 98.2-113.7 76.9 15.0 2.9 5.7 44 267 A E < - 0 0 0 -3,-3.0 2,-0.3 193,-0.1 -2,-0.1 0.311 49.6-148.6 -91.7-142.7 12.9 2.9 8.8 45 268 A S > - 0 0 1 -3,-0.1 3,-1.0 26,-0.1 -4,-0.2 -0.932 46.7 -75.0-176.5-178.8 12.6 0.6 11.8 46 269 A W G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.2 4,-0.1 0.801 122.4 73.4 -65.0 -26.6 9.9 -0.5 14.3 47 270 A Y G > S+ 0 0 20 1,-0.3 3,-2.5 2,-0.2 -1,-0.2 0.771 77.4 71.9 -55.8 -34.2 10.2 3.0 15.8 48 271 A S G < S+ 0 0 1 -3,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.566 95.9 56.7 -60.9 -7.6 8.4 4.6 12.9 49 272 A W G X> S+ 0 0 0 -3,-1.8 4,-2.6 1,-0.1 3,-1.0 0.459 70.3 114.3-101.7 -5.5 5.4 3.0 14.4 50 273 A R T <4 S+ 0 0 0 -3,-2.5 -1,-0.1 1,-0.3 -2,-0.1 0.556 78.0 46.3 -41.1 -21.9 5.8 4.6 17.9 51 274 A Y T 3> S+ 0 0 11 -3,-0.2 4,-0.6 -4,-0.1 -1,-0.3 0.815 118.7 37.5 -94.5 -35.7 2.5 6.6 17.5 52 275 A Q H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.1 5,-0.2 0.675 103.9 73.9 -88.7 -17.3 0.2 3.9 16.3 53 276 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.978 103.1 34.8 -61.5 -59.2 1.8 1.2 18.4 54 277 A P H > S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.807 118.9 53.3 -67.4 -27.7 0.3 2.2 21.8 55 278 A A H X S+ 0 0 23 -4,-0.6 4,-2.2 -50,-0.2 -2,-0.2 0.915 108.2 48.2 -71.3 -45.3 -2.9 3.4 20.2 56 279 A L H <>S+ 0 0 1 -4,-2.6 5,-1.6 2,-0.2 4,-0.4 0.885 113.7 47.9 -62.4 -37.7 -3.5 0.1 18.4 57 280 A A H ><5S+ 0 0 17 -4,-1.9 3,-1.8 -5,-0.2 -25,-0.4 0.953 110.6 53.1 -65.8 -46.1 -2.9 -1.7 21.7 58 281 A Q H 3<5S+ 0 0 168 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.818 102.3 58.3 -55.8 -38.8 -5.2 0.8 23.3 59 282 A A T 3<5S- 0 0 30 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.544 130.5 -89.3 -72.3 -8.8 -8.0 -0.0 20.8 60 283 A G T < 5S+ 0 0 20 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.2 0.705 85.7 124.0 106.4 28.7 -7.9 -3.7 21.8 61 284 A Y < - 0 0 0 -5,-1.6 2,-0.5 -4,-0.4 -1,-0.3 -0.873 60.5-122.6-123.0 151.9 -5.3 -5.3 19.5 62 285 A R E - c 0 35A 80 -28,-2.1 -26,-2.4 -2,-0.3 2,-0.6 -0.791 32.9-149.6 -88.5 128.6 -2.1 -7.2 20.0 63 286 A V E -Bc 30 36A 0 -33,-2.5 -33,-1.8 -2,-0.5 2,-0.9 -0.895 20.1-176.9-115.2 115.3 0.7 -5.3 18.4 64 287 A L E -Bc 29 37A 2 -28,-2.6 -26,-2.6 -2,-0.6 2,-1.1 -0.859 15.2-160.8-103.1 91.0 3.7 -7.1 16.9 65 288 A A E -Bc 28 38A 0 -37,-3.2 -37,-1.9 -2,-0.9 -26,-0.1 -0.691 16.8-141.2 -79.0 102.5 5.9 -4.2 15.7 66 289 A M E -Bc 27 39A 0 -28,-2.2 -26,-0.5 -2,-1.1 -39,-0.2 -0.343 15.2-155.5 -68.7 136.8 8.3 -5.8 13.2 67 290 A D - 0 0 0 -41,-2.2 7,-0.5 -2,-0.1 -41,-0.4 -0.355 40.0-134.6-106.3 51.3 11.9 -4.8 12.9 68 291 A M > - 0 0 1 -2,-0.2 3,-2.3 1,-0.1 6,-0.2 0.524 29.9 -73.7 -7.4 135.5 12.0 -6.0 9.3 69 292 A K T 3 S+ 0 0 0 1,-0.3 7,-0.1 19,-0.1 -1,-0.1 -0.019 119.9 20.8 -43.5 125.6 14.9 -8.1 8.0 70 293 A G T 3 S+ 0 0 0 5,-1.5 2,-0.5 1,-0.2 -1,-0.3 -0.110 102.6 103.8 103.0 -31.2 18.2 -6.2 7.6 71 294 A Y S X S- 0 0 2 -3,-2.3 3,-1.4 -4,-0.2 -1,-0.2 -0.716 87.6 -56.5 -95.2 127.2 17.1 -3.4 9.9 72 295 A G T 3 S+ 0 0 5 -2,-0.5 160,-0.3 1,-0.2 -2,-0.1 -0.279 121.5 13.3 58.9-120.0 18.4 -3.0 13.5 73 296 A E T 3 S+ 0 0 66 -2,-0.2 -1,-0.2 158,-0.1 3,-0.1 0.756 110.4 90.6 -62.9 -30.8 18.0 -5.9 15.9 74 297 A S S < S- 0 0 0 -3,-1.4 -49,-0.2 -7,-0.5 158,-0.1 -0.261 91.1 -87.5 -69.1 157.2 17.1 -8.3 13.1 75 298 A S - 0 0 30 -51,-1.9 -5,-1.5 1,-0.1 -1,-0.1 -0.278 34.1-155.5 -64.2 147.5 19.7 -10.4 11.2 76 299 A A - 0 0 39 -7,-0.1 160,-0.1 -6,-0.1 -1,-0.1 -0.812 5.6-168.7-131.9 89.0 21.3 -8.9 8.2 77 300 A P - 0 0 10 0, 0.0 5,-0.2 0, 0.0 -54,-0.0 -0.727 19.9-141.6 -79.8 115.1 22.7 -11.4 5.7 78 301 A P + 0 0 60 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.597 70.0 108.4 -49.1 -18.7 24.9 -9.4 3.1 79 302 A E > - 0 0 79 1,-0.1 3,-0.9 3,-0.0 160,-0.0 -0.494 66.4-145.0 -70.8 129.9 23.6 -11.6 0.3 80 303 A I G > S+ 0 0 39 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.946 97.3 61.9 -55.4 -53.1 21.2 -9.7 -2.1 81 304 A E G > S+ 0 0 88 1,-0.3 3,-1.5 2,-0.2 6,-0.3 0.689 87.6 73.9 -47.6 -27.6 19.1 -12.8 -2.7 82 305 A E G < S+ 0 0 44 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.432 98.1 48.6 -71.0 2.3 18.2 -12.8 1.0 83 306 A Y G < S+ 0 0 0 -3,-2.2 -1,-0.3 156,-0.2 160,-0.2 0.208 76.7 123.2-127.9 15.6 16.0 -9.9 0.4 84 307 A C S <> S- 0 0 6 -3,-1.5 4,-2.0 1,-0.1 5,-0.2 -0.490 75.7-108.2 -76.4 149.0 13.9 -10.9 -2.6 85 308 A M H > S+ 0 0 4 158,-0.3 4,-3.1 1,-0.2 5,-0.3 0.900 114.8 56.7 -41.4 -56.2 10.2 -10.8 -2.0 86 309 A E H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.895 110.4 41.8 -44.6 -59.3 9.8 -14.6 -2.0 87 310 A V H > S+ 0 0 28 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.963 116.4 48.0 -56.1 -56.4 12.3 -15.2 0.9 88 311 A L H X S+ 0 0 1 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.850 114.9 46.1 -53.2 -41.7 11.1 -12.2 3.0 89 312 A C H >X S+ 0 0 0 -4,-3.1 4,-1.4 -5,-0.2 3,-0.8 0.934 111.1 51.6 -68.5 -47.6 7.5 -13.2 2.6 90 313 A K H 3X S+ 0 0 78 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.833 106.1 55.3 -59.0 -35.0 8.1 -16.9 3.4 91 314 A E H 3X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.779 102.2 57.9 -69.7 -28.3 10.0 -15.9 6.5 92 315 A M H X S+ 0 0 17 -4,-1.4 4,-2.2 2,-0.2 3,-0.6 0.962 112.1 49.9 -65.4 -46.6 4.8 -17.1 7.5 94 317 A T H 3X S+ 0 0 34 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.880 105.3 58.6 -57.4 -36.6 7.5 -18.9 9.4 95 318 A F H 3X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 -1,-0.3 0.900 108.5 44.6 -59.6 -40.9 7.4 -16.0 11.9 96 319 A L H S+ 0 0 3 -4,-1.8 5,-2.6 -3,-0.6 4,-1.3 0.842 110.0 56.6 -71.0 -35.5 3.7 -16.8 12.5 97 320 A D H ><5S+ 0 0 86 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.991 107.4 46.6 -57.6 -62.0 4.5 -20.5 12.7 98 321 A K H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 116.8 44.1 -50.4 -39.1 7.0 -20.1 15.5 99 322 A L H 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.645 111.4-122.2 -83.8 -14.9 4.6 -17.8 17.4 100 323 A G T <<5 + 0 0 62 -3,-1.4 2,-0.5 -4,-1.3 -3,-0.2 0.962 56.8 151.0 72.6 52.5 1.7 -20.1 16.8 101 324 A L < - 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0 0 67 -4,-0.7 4,-2.9 1,-0.1 -1,-0.3 -0.873 62.7-178.2-145.7 105.5 26.8 10.7 8.1 176 399 A L H > S+ 0 0 22 -3,-0.4 4,-1.9 -2,-0.3 5,-0.2 0.824 86.6 52.5 -76.5 -30.6 23.8 9.1 9.9 177 400 A S H > S+ 0 0 37 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.960 118.8 37.2 -67.5 -48.5 22.8 12.3 11.7 178 401 A R H > S+ 0 0 12 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.975 114.9 54.1 -66.1 -57.0 22.7 14.1 8.4 179 402 A T H X S+ 0 0 1 -4,-2.9 4,-1.1 1,-0.3 -1,-0.2 0.840 117.7 36.3 -45.9 -44.6 21.3 11.2 6.3 180 403 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.792 116.8 51.0 -83.7 -28.2 18.4 10.7 8.6 181 404 A K H < S+ 0 0 37 -4,-1.9 33,-0.3 -5,-0.2 -2,-0.2 0.867 112.9 48.6 -74.9 -33.3 17.8 14.4 9.4 182 405 A S H < S+ 0 0 0 -4,-3.5 10,-0.3 -5,-0.2 -2,-0.2 0.828 117.9 41.1 -73.2 -35.3 17.8 15.0 5.6 183 406 A L H < S+ 0 0 23 -4,-1.1 2,-1.6 -5,-0.3 -2,-0.2 0.980 98.8 68.6 -78.4 -61.7 15.4 12.2 5.0 184 407 A F S < S+ 0 0 1 -4,-2.1 30,-0.4 -5,-0.1 2,-0.3 -0.402 76.8 122.5 -64.9 88.9 12.8 12.4 7.8 185 408 A R - 0 0 21 -2,-1.6 115,-0.3 31,-0.1 114,-0.3 -0.993 64.8-107.6-150.8 150.6 11.1 15.7 6.7 186 409 A A > - 0 0 2 -2,-0.3 3,-1.1 112,-0.1 111,-0.1 -0.329 44.4-104.2 -71.7 160.5 7.7 16.9 5.8 187 410 A S G > S+ 0 0 21 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.923 121.0 54.1 -53.7 -49.9 7.2 17.6 2.0 188 411 A D G 3 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.0 -2,-0.0 0.694 109.0 51.9 -60.7 -16.2 7.3 21.4 2.4 189 412 A E G < S+ 0 0 44 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.208 84.6 141.0-105.1 14.3 10.7 20.9 4.2 190 413 A S < + 0 0 80 -3,-2.1 -4,-0.1 1,-0.1 3,-0.1 0.278 25.3 167.3 -47.2 178.6 12.3 18.8 1.5 191 415 A V + 0 0 36 1,-0.1 2,-0.3 -9,-0.1 -1,-0.1 0.186 46.2 107.2-166.6 -30.7 16.0 18.9 0.4 192 416 A L - 0 0 37 -10,-0.3 2,-1.2 -9,-0.1 -1,-0.1 -0.496 57.6-149.0 -72.2 125.6 16.3 15.7 -1.7 193 417 A S + 0 0 30 10,-0.4 2,-2.4 -2,-0.3 3,-0.4 -0.690 18.6 176.4 -94.9 79.2 16.5 16.1 -5.5 194 418 A M + 0 0 62 -2,-1.2 -37,-0.1 1,-0.2 -1,-0.1 -0.450 61.9 88.4 -81.6 61.8 14.8 12.8 -6.6 195 419 A H S S- 0 0 149 -2,-2.4 2,-0.3 -39,-0.1 -38,-0.2 0.607 105.5 -3.4-118.5 -70.2 15.2 14.2 -10.1 196 420 A K > + 0 0 114 -3,-0.4 4,-1.3 1,-0.1 -2,-0.1 -0.783 69.0 160.4-133.3 81.3 18.6 13.1 -11.4 197 421 A V H >>S+ 0 0 0 -2,-0.3 5,-2.5 2,-0.2 4,-0.5 0.799 78.2 47.8 -74.0 -30.4 20.2 11.2 -8.5 198 422 A C H 45S+ 0 0 59 2,-0.2 -1,-0.2 3,-0.2 3,-0.1 0.860 112.2 47.0 -78.4 -39.4 22.7 9.5 -10.8 199 423 A E H 45S+ 0 0 161 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.849 111.1 53.7 -70.5 -33.7 23.8 12.6 -12.8 200 424 A A H <5S- 0 0 29 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.716 111.0-125.1 -72.6 -22.3 24.2 14.4 -9.5 201 425 A G T <5S+ 0 0 56 -4,-0.5 2,-0.2 -3,-0.1 -3,-0.2 0.917 77.5 10.1 76.6 44.5 26.5 11.7 -8.2 202 426 A G S S+ 0 0 2 -12,-0.1 3,-0.8 -7,-0.1 -2,-0.1 0.454 84.0 97.6-120.4 -10.0 22.7 14.2 -0.8 205 429 A V T 3 S+ 0 0 81 1,-0.3 2,-0.5 -8,-0.1 -2,-0.1 0.806 88.0 50.6 -50.2 -33.2 25.3 16.0 -3.0 206 430 A N T 3 S+ 0 0 86 -4,-0.1 -1,-0.3 -13,-0.1 -13,-0.1 -0.492 101.9 81.7-105.3 58.8 22.6 18.7 -3.6 207 431 A S S < S- 0 0 18 -3,-0.8 2,-0.1 -2,-0.5 -3,-0.1 -0.991 85.4 -80.5-157.8 158.6 21.8 19.3 0.1 208 432 A P - 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -26,-0.0 -0.365 29.3-136.5 -65.0 139.0 23.0 21.2 3.2 209 433 A E S S+ 0 0 127 1,-0.3 -31,-0.1 -2,-0.1 -5,-0.0 0.752 104.5 31.8 -65.4 -25.5 25.8 19.5 5.2 210 434 A E S S- 0 0 177 -29,-0.0 -1,-0.3 -32,-0.0 -32,-0.0 -0.487 84.3-170.8-132.2 64.8 23.9 20.3 8.4 211 435 A P - 0 0 15 0, 0.0 -29,-0.1 0, 0.0 -30,-0.1 -0.078 28.4-104.2 -54.1 155.9 20.1 20.2 7.6 212 436 A S - 0 0 79 1,-0.1 2,-0.8 -31,-0.1 0, 0.0 -0.200 38.8 -87.3 -77.6 172.3 17.7 21.5 10.3 213 437 A L - 0 0 80 1,-0.1 -1,-0.1 2,-0.0 6,-0.1 -0.757 48.2-123.6 -86.2 106.2 15.6 19.3 12.6 214 438 A S - 0 0 4 -2,-0.8 3,-0.1 -30,-0.4 -29,-0.1 -0.023 16.0-118.9 -45.1 149.5 12.3 18.6 10.8 215 439 A R S S+ 0 0 133 1,-0.2 -1,-0.1 -29,-0.0 -30,-0.1 0.653 112.0 59.4 -67.8 -14.8 9.1 19.7 12.7 216 440 A M S S+ 0 0 14 -32,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.914 106.4 41.6 -79.2 -46.9 8.1 16.0 12.7 217 441 A V - 0 0 6 -33,-0.3 -1,-0.1 -3,-0.1 2,-0.1 -0.788 68.9-138.7-111.8 151.2 11.1 14.5 14.6 218 442 A T > - 0 0 57 -2,-0.3 4,-1.3 1,-0.1 -4,-0.1 -0.295 34.4-104.1 -91.3 177.5 13.1 15.5 17.6 219 443 A E H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.913 120.1 53.4 -68.8 -43.7 16.9 15.2 18.0 220 444 A E H > S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 105.9 52.0 -57.7 -46.6 16.5 12.1 20.2 221 445 A E H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 110.2 49.2 -60.8 -37.6 14.4 10.2 17.7 222 446 A I H X S+ 0 0 0 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.879 108.4 54.2 -69.8 -35.5 17.0 10.9 15.0 223 447 A Q H X S+ 0 0 80 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.792 104.7 55.1 -69.0 -26.7 19.7 9.7 17.4 224 448 A F H X S+ 0 0 16 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.937 108.3 46.3 -70.4 -47.7 17.7 6.4 17.8 225 449 A Y H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.657 111.7 56.1 -67.1 -17.0 17.7 5.7 14.1 226 450 A V H < S+ 0 0 9 -4,-0.9 4,-0.2 2,-0.2 -2,-0.2 0.928 108.7 42.4 -79.9 -48.5 21.4 6.6 14.1 227 451 A Q H >< S+ 0 0 115 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.805 110.4 61.3 -67.3 -28.1 22.4 4.0 16.7 228 452 A Q H >< S+ 0 0 25 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.919 106.3 42.4 -65.3 -45.6 20.1 1.5 15.0 229 453 A F T 3< S+ 0 0 8 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.355 92.2 86.1 -84.5 7.3 22.0 1.6 11.6 230 454 A K T < S+ 0 0 158 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.1 0.524 93.7 46.2 -81.9 -6.9 25.3 1.5 13.4 231 455 A K S < S+ 0 0 124 -3,-0.9 -2,-0.1 -4,-0.2 -3,-0.1 0.806 129.3 9.8 -95.0 -87.4 25.0 -2.2 13.4 232 456 A S S S- 0 0 35 -4,-0.5 3,-0.4 -160,-0.3 2,-0.3 0.853 90.1-161.2 -64.4 -38.3 23.9 -3.7 10.1 233 457 A G - 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