==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-AUG-11 3TJM . COMPND 2 MOLECULE: FATTY ACID SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.ZHANG,F.ZHENG,A.Q.FLORANTE . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 1 0 1 0 1 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 . 0 0 0 0 0 1 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 2218 A N > 0 0 184 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 119.9 -9.2 76.1 44.1 2 2219 A L G > + 0 0 46 1,-0.3 3,-2.2 2,-0.2 4,-0.0 0.798 360.0 60.4 -61.1 -34.1 -10.5 73.3 46.3 3 2220 A R G > S+ 0 0 132 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.777 93.1 68.4 -70.9 -16.9 -12.1 71.1 43.7 4 2221 A S G < S+ 0 0 35 -3,-1.7 -1,-0.3 1,-0.3 32,-0.3 0.638 95.3 57.6 -63.5 -15.8 -8.6 70.8 42.1 5 2222 A L G < S+ 0 0 46 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.3 0.269 102.4 75.4 -96.5 10.1 -7.8 68.8 45.2 6 2223 A L < - 0 0 11 -3,-1.7 2,-0.4 29,-0.1 193,-0.1 -0.873 60.9-159.1-126.4 152.6 -10.6 66.4 44.3 7 2224 A V - 0 0 5 -2,-0.3 195,-0.1 191,-0.3 194,-0.1 -0.973 31.6-112.5-125.7 142.6 -11.2 63.6 41.9 8 2225 A N > - 0 0 78 -2,-0.4 3,-2.3 1,-0.2 50,-0.1 -0.681 29.3-148.6 -66.0 111.2 -14.4 62.1 40.5 9 2226 A P T 3 S+ 0 0 6 0, 0.0 49,-2.2 0, 0.0 50,-0.4 0.779 97.8 42.9 -62.0 -20.1 -14.1 58.7 42.1 10 2227 A E T 3 S+ 0 0 129 47,-0.2 3,-0.1 48,-0.1 -2,-0.1 0.186 93.6 114.6-104.7 11.1 -15.9 57.2 39.2 11 2228 A G S < S- 0 0 12 -3,-2.3 2,-0.2 1,-0.1 47,-0.1 -0.191 78.5 -80.6 -72.2 172.6 -14.0 59.2 36.6 12 2229 A P - 0 0 73 0, 0.0 43,-0.2 0, 0.0 -1,-0.1 -0.499 26.9-143.1 -75.6 143.8 -11.7 57.7 34.0 13 2230 A T S S+ 0 0 10 -2,-0.2 42,-2.4 1,-0.1 2,-0.4 0.958 90.6 48.0 -70.2 -46.5 -8.1 56.8 35.1 14 2231 A L E S+A 54 0A 32 40,-0.2 2,-0.4 61,-0.1 40,-0.2 -0.807 73.6 179.9 -97.3 132.0 -6.6 57.9 31.8 15 2232 A M E -A 53 0A 52 38,-2.4 38,-2.8 -2,-0.4 2,-0.6 -0.996 31.5-123.2-137.0 135.8 -7.6 61.2 30.3 16 2233 A R E -A 52 0A 85 -2,-0.4 36,-0.3 36,-0.2 -2,-0.0 -0.671 26.2-175.7 -75.9 118.0 -6.7 63.1 27.2 17 2234 A L + 0 0 29 34,-2.1 2,-0.3 -2,-0.6 35,-0.2 0.476 64.3 23.3 -96.9 -12.0 -5.2 66.5 28.3 18 2235 A N S S- 0 0 21 33,-1.0 27,-0.1 2,-0.1 26,-0.0 -0.878 71.1-122.9-142.2 179.7 -4.7 68.1 24.9 19 2236 A S + 0 0 117 -2,-0.3 2,-0.2 26,-0.1 26,-0.1 0.181 55.9 138.1-114.2 15.9 -6.0 67.7 21.4 20 2237 A V - 0 0 37 29,-0.2 2,-0.5 27,-0.1 -2,-0.1 -0.454 34.0-165.0 -64.6 129.1 -2.7 67.1 19.5 21 2238 A Q + 0 0 163 -2,-0.2 2,-0.3 29,-0.1 -1,-0.1 -0.957 32.5 111.8-122.3 113.6 -3.3 64.4 16.9 22 2239 A S S S- 0 0 46 -2,-0.5 27,-0.0 2,-0.2 -2,-0.0 -0.942 75.1 -96.5-162.4 177.6 -0.3 62.7 15.4 23 2240 A S S S+ 0 0 131 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 0.409 82.6 118.3 -87.9 2.2 1.7 59.4 15.2 24 2241 A E S S- 0 0 76 1,-0.1 -2,-0.2 0, 0.0 0, 0.0 -0.513 77.8-106.7 -68.3 131.7 4.1 60.7 17.9 25 2242 A R - 0 0 84 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.325 43.9-111.0 -56.8 137.7 3.9 58.4 21.0 26 2243 A P - 0 0 18 0, 0.0 60,-0.7 0, 0.0 2,-0.5 -0.213 15.6-123.7 -70.2 165.5 2.1 60.3 23.8 27 2244 A L E -bc 51 86A 10 23,-2.2 25,-2.6 58,-0.1 2,-0.5 -0.939 23.1-151.0-103.8 130.6 3.4 61.6 27.0 28 2245 A F E -bc 52 87A 0 58,-2.4 60,-2.9 -2,-0.5 2,-0.5 -0.915 7.8-157.5-107.0 127.8 1.7 60.2 30.1 29 2246 A L E -bc 53 88A 0 23,-2.4 25,-2.5 -2,-0.5 2,-0.5 -0.929 5.4-146.4-113.7 123.3 1.6 62.4 33.2 30 2247 A V E -bc 54 89A 0 58,-2.7 60,-2.0 -2,-0.5 63,-0.2 -0.789 23.8-112.7 -99.8 128.5 1.1 61.0 36.7 31 2248 A H - 0 0 0 23,-1.7 65,-0.2 -2,-0.5 62,-0.2 0.096 22.1-118.2 -49.6 152.1 -0.8 63.0 39.4 32 2249 A P > - 0 0 2 0, 0.0 3,-2.1 0, 0.0 59,-0.1 -0.090 56.2 -69.2 -76.3-171.7 0.6 64.5 42.6 33 2250 A I T 3 S+ 0 0 40 1,-0.3 176,-0.1 2,-0.1 -2,-0.1 0.834 129.8 64.1 -57.3 -35.0 -0.7 63.4 46.0 34 2251 A E T 3 S- 0 0 54 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.714 103.8-129.5 -67.3 -15.7 -4.2 64.9 45.6 35 2252 A G < + 0 0 0 -3,-2.1 21,-2.1 1,-0.3 -4,-0.2 0.282 66.2 114.2 96.7 -14.4 -4.8 62.5 42.7 36 2253 A S - 0 0 3 -32,-0.3 -1,-0.3 19,-0.2 3,-0.2 -0.435 62.4-140.0 -92.9 163.8 -6.0 65.0 40.0 37 2254 A T S > S+ 0 0 6 -6,-0.1 3,-2.1 1,-0.1 4,-0.2 0.353 72.3 108.1-102.7 5.9 -4.5 66.0 36.8 38 2255 A T G > + 0 0 58 1,-0.3 3,-1.9 -34,-0.2 4,-0.3 0.822 70.0 63.8 -51.9 -39.3 -5.4 69.8 37.1 39 2256 A V G 3 S+ 0 0 28 1,-0.3 4,-0.4 -3,-0.2 3,-0.3 0.723 100.2 55.4 -61.8 -20.1 -1.8 70.8 37.8 40 2257 A F G <> S+ 0 0 0 -3,-2.1 4,-3.2 1,-0.2 -1,-0.3 0.415 76.4 97.2 -93.4 0.1 -0.9 69.6 34.3 41 2258 A H H <> S+ 0 0 90 -3,-1.9 4,-2.3 -4,-0.2 -1,-0.2 0.914 85.6 45.5 -59.4 -44.8 -3.3 71.7 32.3 42 2259 A S H > S+ 0 0 41 -4,-0.3 4,-1.1 -3,-0.3 -1,-0.2 0.944 116.1 46.4 -65.5 -44.8 -0.9 74.5 31.4 43 2260 A L H >> S+ 0 0 0 -4,-0.4 4,-1.5 218,-0.3 3,-0.8 0.950 113.2 48.5 -60.9 -51.3 1.8 72.0 30.4 44 2261 A A H 3< S+ 0 0 0 -4,-3.2 3,-0.3 1,-0.3 -1,-0.2 0.880 106.7 55.8 -59.6 -38.5 -0.5 69.8 28.3 45 2262 A S H 3< S+ 0 0 95 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.798 112.7 44.0 -63.1 -27.8 -2.0 72.8 26.5 46 2263 A R H << S+ 0 0 114 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.676 89.7 100.4 -92.4 -22.6 1.5 73.8 25.4 47 2264 A L < - 0 0 5 -4,-1.5 -27,-0.1 -3,-0.3 4,-0.1 -0.422 60.9-148.3 -73.6 144.2 3.0 70.5 24.4 48 2265 A S S S+ 0 0 65 -2,-0.1 -1,-0.1 2,-0.1 -4,-0.1 0.288 77.2 75.3 -90.6 6.5 3.2 69.5 20.7 49 2266 A I S S- 0 0 14 -5,-0.1 -29,-0.2 -29,-0.0 -24,-0.1 -0.886 100.2 -87.0-116.0 153.0 2.8 65.9 21.4 50 2267 A P - 0 0 5 0, 0.0 -23,-2.2 0, 0.0 2,-0.4 -0.363 52.7-160.8 -55.6 132.7 -0.4 64.0 22.4 51 2268 A T E - b 0 27A 0 -25,-0.2 -34,-2.1 -4,-0.1 -33,-1.0 -0.978 14.7-178.7-130.7 130.9 -0.6 64.2 26.2 52 2269 A Y E -Ab 16 28A 41 -25,-2.6 -23,-2.4 -2,-0.4 2,-0.3 -0.906 12.7-146.9-120.3 153.8 -2.6 62.2 28.7 53 2270 A G E -Ab 15 29A 0 -38,-2.8 -38,-2.4 -2,-0.3 2,-0.5 -0.863 6.2-143.6-115.5 154.1 -3.0 62.3 32.4 54 2271 A L E -Ab 14 30A 0 -25,-2.5 -23,-1.7 -2,-0.3 2,-0.3 -0.984 20.1-171.7-113.2 122.7 -3.4 59.6 35.0 55 2272 A Q - 0 0 16 -42,-2.4 2,-0.8 -2,-0.5 -19,-0.2 -0.821 27.4-114.7-112.1 158.9 -5.7 60.4 37.9 56 2273 A C + 0 0 0 -21,-2.1 2,-0.1 -2,-0.3 -45,-0.1 -0.797 45.3 167.2-100.5 103.5 -6.3 58.3 41.0 57 2274 A T > - 0 0 2 -2,-0.8 3,-1.8 -46,-0.1 -47,-0.2 -0.399 55.1 -83.9-108.5-176.0 -9.9 57.1 41.2 58 2275 A R T 3 S+ 0 0 104 -49,-2.2 -48,-0.1 1,-0.3 -2,-0.0 0.765 124.5 62.8 -59.6 -26.0 -11.8 54.5 43.2 59 2276 A A T 3 S+ 0 0 63 -50,-0.4 -1,-0.3 2,-0.1 -49,-0.1 0.554 79.1 104.0 -75.0 -13.6 -10.6 51.8 40.7 60 2277 A A S < S- 0 0 12 -3,-1.8 2,-0.6 1,-0.1 8,-0.1 -0.576 73.1-129.7 -75.5 129.3 -6.9 52.3 41.6 61 2278 A P + 0 0 43 0, 0.0 3,-0.3 0, 0.0 10,-0.2 -0.699 26.7 180.0 -80.2 121.9 -5.4 49.6 43.8 62 2279 A L + 0 0 30 -2,-0.6 150,-0.2 1,-0.2 3,-0.1 0.185 49.3 107.0-110.2 17.7 -3.6 51.4 46.6 63 2280 A D S S- 0 0 115 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.834 97.7 -10.5 -64.5 -28.4 -2.2 48.5 48.6 64 2281 A S > - 0 0 26 -3,-0.3 4,-2.2 1,-0.1 -1,-0.2 -0.984 64.9-110.2-159.6 162.7 1.2 49.4 47.3 65 2282 A I H > S+ 0 0 2 147,-0.5 4,-2.6 -2,-0.3 5,-0.2 0.850 119.1 61.2 -64.6 -29.7 3.0 51.7 44.8 66 2283 A H H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 107.3 42.5 -60.1 -48.2 3.8 48.4 42.9 67 2284 A S H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 113.8 51.2 -66.1 -42.8 0.1 47.7 42.4 68 2285 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 111.3 48.2 -59.7 -45.0 -0.8 51.3 41.5 69 2286 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.887 109.7 52.0 -64.9 -41.8 1.9 51.4 38.9 70 2287 A A H X S+ 0 0 34 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.902 109.8 49.8 -63.0 -38.6 0.9 48.1 37.4 71 2288 A Y H X S+ 0 0 48 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.929 109.8 50.2 -64.8 -44.7 -2.7 49.4 37.1 72 2289 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.890 108.7 52.5 -63.1 -37.5 -1.6 52.6 35.4 73 2290 A I H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.937 107.6 52.0 -62.5 -43.8 0.5 50.6 32.9 74 2291 A D H < S+ 0 0 97 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.915 111.1 49.2 -54.5 -43.1 -2.6 48.5 32.1 75 2292 A C H >< S+ 0 0 19 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.920 109.0 49.9 -65.0 -43.9 -4.5 51.8 31.5 76 2293 A I H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 3,-2.0 0.865 101.9 63.9 -63.2 -32.8 -1.8 53.3 29.2 77 2294 A R T 3< S+ 0 0 72 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.628 87.2 71.6 -69.8 -11.9 -1.8 50.1 27.2 78 2295 A Q T <4 S+ 0 0 163 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.689 115.0 23.4 -76.0 -18.8 -5.4 50.8 26.2 79 2296 A V T <4 S+ 0 0 65 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.1 0.639 138.3 28.8-113.1 -27.2 -4.2 53.6 24.0 80 2297 A Q < - 0 0 17 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.1 -0.790 65.9-177.4-134.8 88.3 -0.6 52.6 23.4 81 2298 A P + 0 0 79 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.766 67.9 36.9 -62.3 -28.1 -0.3 48.7 23.5 82 2299 A E S S- 0 0 141 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.894 82.5 -98.0-127.3 153.0 3.5 48.6 22.9 83 2300 A G S S+ 0 0 38 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.021 70.8 107.7 -77.1-171.5 6.5 50.7 24.0 84 2301 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.560 64.6-158.9 -73.1 158.1 8.7 52.5 24.2 85 2302 A Y - 0 0 3 -2,-0.2 31,-2.7 16,-0.1 2,-0.6 -0.840 17.8-148.8-111.1 145.4 6.8 54.7 26.7 86 2303 A R E +cd 27 116A 69 -60,-0.7 -58,-2.4 -2,-0.3 2,-0.4 -0.955 29.9 171.4-110.0 114.4 7.2 58.4 27.7 87 2304 A V E +cd 28 117A 1 29,-2.8 31,-2.4 -2,-0.6 2,-0.3 -0.986 11.6 177.0-132.8 134.8 6.1 58.8 31.3 88 2305 A A E -cd 29 118A 0 -60,-2.9 -58,-2.7 -2,-0.4 2,-0.3 -0.948 5.6-169.3-131.4 151.3 6.4 61.8 33.7 89 2306 A G E -cd 30 119A 0 29,-1.6 31,-3.1 -2,-0.3 2,-0.5 -0.996 12.0-143.0-141.3 146.9 5.2 62.2 37.2 90 2307 A Y E > - d 0 120A 13 -60,-2.0 3,-2.2 -2,-0.3 31,-0.2 -0.929 62.4 -44.0-113.7 129.0 5.0 65.2 39.5 91 2308 A S T >> S+ 0 0 19 29,-2.5 3,-1.9 -2,-0.5 4,-0.9 -0.346 140.2 12.0 58.5-121.2 5.7 65.1 43.3 92 2309 A Y H >> S+ 0 0 2 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.885 130.5 59.9 -49.7 -40.8 3.9 61.9 44.6 93 2310 A G H <> S+ 0 0 0 -3,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.685 90.2 68.5 -64.2 -21.5 3.5 60.9 40.9 94 2311 A A H <> S+ 0 0 0 -3,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.927 100.7 47.5 -64.3 -40.8 7.3 60.9 40.3 95 2312 A C H < S+ 0 0 58 -4,-2.3 3,-1.0 -3,-0.2 -2,-0.2 0.556 99.3 152.5 -81.8 -10.0 10.5 44.2 28.0 109 2326 A S T 3< + 0 0 74 -4,-1.0 -3,-0.0 1,-0.3 -4,-0.0 -0.246 44.9 29.1 -61.0 153.8 13.6 42.4 29.2 110 2327 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.996 106.6 84.3 -82.1 -1.5 16.0 40.9 28.0 111 2328 A A S < S- 0 0 55 -3,-1.0 -3,-0.1 1,-0.1 2,-0.0 -0.268 97.3 -92.1 -59.2 144.4 15.5 43.1 25.0 112 2329 A P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.351 45.5-140.2 -59.3 140.3 17.2 46.6 25.2 113 2330 A T - 0 0 42 -3,-0.1 -8,-0.1 1,-0.1 -9,-0.0 -0.792 23.3-177.8-110.5 148.8 14.7 49.2 26.5 114 2331 A H + 0 0 132 -2,-0.3 -1,-0.1 110,-0.1 2,-0.0 -0.051 28.3 144.0-137.4 29.8 14.2 52.8 25.4 115 2332 A N - 0 0 7 -14,-0.1 2,-0.5 -31,-0.1 110,-0.4 -0.343 42.6-132.7 -72.3 154.4 11.5 54.4 27.7 116 2333 A S E -d 86 0A 33 -31,-2.7 -29,-2.8 108,-0.1 2,-0.5 -0.953 19.3-170.3-112.2 125.4 11.7 58.0 28.8 117 2334 A L E -de 87 226A 0 108,-0.8 110,-2.1 -2,-0.5 2,-0.5 -0.967 3.7-177.3-116.7 120.3 11.2 58.9 32.4 118 2335 A F E -de 88 227A 16 -31,-2.4 -29,-1.6 -2,-0.5 2,-0.6 -0.974 8.7-161.1-114.9 129.1 10.9 62.5 33.6 119 2336 A L E -de 89 228A 0 108,-3.1 110,-3.0 -2,-0.5 2,-0.9 -0.959 3.8-157.7-110.6 121.1 10.5 63.2 37.2 120 2337 A F E S-de 90 229A 1 -31,-3.1 -29,-2.5 -2,-0.6 -26,-0.2 -0.864 75.0 -36.6 -99.5 100.0 9.0 66.7 38.1 121 2338 A D S S+ 0 0 2 108,-2.3 2,-0.3 -2,-0.9 -1,-0.2 0.903 118.0 79.0 51.2 56.8 10.2 67.4 41.6 122 2339 A G + 0 0 0 -32,-0.1 -1,-0.2 -28,-0.1 -30,-0.1 -0.977 41.9 173.3-170.9 179.8 10.0 63.9 43.1 123 2340 A S >> - 0 0 1 -2,-0.3 3,-1.1 -32,-0.2 4,-0.6 -0.941 57.6 -71.2-178.2 170.0 11.7 60.5 43.5 124 2341 A P T 34 S+ 0 0 10 0, 0.0 4,-0.3 0, 0.0 92,-0.1 0.745 133.7 37.9 -50.5 -25.9 11.2 57.2 45.5 125 2342 A T T 3> S+ 0 0 45 113,-0.5 4,-1.4 1,-0.1 114,-0.1 0.562 92.4 91.0-101.6 -10.1 12.4 59.0 48.7 126 2343 A Y H <> S+ 0 0 17 -3,-1.1 4,-0.6 1,-0.2 3,-0.2 0.850 90.6 40.3 -60.0 -47.1 10.6 62.4 48.1 127 2344 A V H >X S+ 0 0 16 -4,-0.6 4,-2.0 1,-0.2 3,-1.0 0.885 106.9 65.6 -68.6 -40.0 7.3 61.7 49.9 128 2345 A L H 3> S+ 0 0 57 -4,-0.3 4,-2.4 1,-0.3 5,-0.2 0.813 93.4 59.9 -52.5 -38.5 9.0 59.8 52.7 129 2346 A A H 3X S+ 0 0 72 -4,-1.4 4,-1.1 -3,-0.2 -1,-0.3 0.895 108.5 45.2 -55.4 -42.7 10.8 63.0 53.9 130 2347 A Y H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 3,-0.7 0.891 106.5 55.8 -61.3 -42.6 5.7 61.5 56.2 132 2349 A G H 3X S+ 0 0 36 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.866 101.0 58.3 -57.2 -40.1 8.7 61.1 58.7 133 2350 A S H 3< S+ 0 0 80 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.818 112.2 41.0 -59.5 -32.5 8.3 64.7 59.9 134 2351 A Y H X< S+ 0 0 90 -4,-0.9 3,-1.6 -3,-0.7 -2,-0.2 0.823 108.0 59.4 -85.2 -35.3 4.7 63.9 60.9 135 2352 A R H >< S+ 0 0 88 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.802 92.6 71.1 -57.1 -33.2 5.6 60.4 62.3 136 2353 A A T 3< S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.725 94.6 54.5 -54.3 -24.0 7.9 62.4 64.7 137 2354 A K T < S+ 0 0 105 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.3 0.457 100.0 83.6 -89.1 -2.8 4.7 63.6 66.4 138 2355 A L S < S- 0 0 25 -3,-2.1 3,-0.1 -4,-0.1 -3,-0.0 -0.739 82.3-105.5-121.2 152.0 3.3 60.2 67.1 139 2356 A T > - 0 0 84 -2,-0.3 3,-2.0 1,-0.1 6,-0.1 -0.555 54.9-104.9 -65.7 123.2 3.3 57.2 69.5 140 2357 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.253 101.5 10.2 -54.3 133.4 5.3 54.4 67.7 141 2358 A G T 3 S+ 0 0 81 1,-0.2 2,-1.2 -3,-0.1 3,-0.1 0.445 89.4 131.9 77.9 2.2 3.0 51.7 66.3 142 2359 A C X> - 0 0 45 -3,-2.0 4,-1.5 1,-0.2 3,-0.5 -0.708 31.3-178.8 -92.0 93.6 -0.2 53.6 67.0 143 2360 A E H 3> S+ 0 0 129 -2,-1.2 4,-2.8 1,-0.2 5,-0.2 0.860 80.4 60.4 -56.1 -38.0 -2.2 53.3 63.8 144 2361 A A H 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 104.4 49.5 -60.5 -38.9 -5.0 55.5 65.2 145 2362 A E H <> S+ 0 0 38 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.871 110.5 49.4 -70.4 -38.2 -2.6 58.4 65.7 146 2363 A A H X S+ 0 0 6 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.938 111.7 47.7 -66.6 -48.1 -1.3 58.1 62.1 147 2364 A E H X S+ 0 0 23 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.927 113.4 50.6 -51.5 -48.3 -4.8 58.0 60.6 148 2365 A T H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.927 110.6 47.7 -60.6 -46.8 -5.7 61.0 62.9 149 2366 A E H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.918 114.1 46.7 -61.7 -42.9 -2.7 63.0 61.8 150 2367 A A H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.939 115.5 44.2 -64.8 -48.0 -3.3 62.3 58.1 151 2368 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.874 111.1 54.9 -68.7 -34.5 -7.0 63.2 58.2 152 2369 A C H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.938 108.2 48.8 -60.1 -47.6 -6.3 66.3 60.3 153 2370 A F H X S+ 0 0 66 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.920 109.5 52.9 -56.3 -47.0 -3.9 67.5 57.7 154 2371 A F H >X S+ 0 0 11 -4,-2.2 4,-0.9 1,-0.2 3,-0.9 0.934 108.4 49.4 -53.8 -50.5 -6.5 66.8 55.0 155 2372 A V H >X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.3 3,-0.7 0.885 107.3 56.0 -57.3 -41.2 -9.2 68.9 56.9 156 2373 A Q H 3< S+ 0 0 59 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.725 102.1 56.2 -69.3 -19.3 -6.7 71.7 57.2 157 2374 A Q H << S+ 0 0 86 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.773 115.4 37.4 -76.5 -25.0 -6.2 71.8 53.5 158 2375 A F H << S+ 0 0 6 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.465 122.6 32.8-105.6 -6.2 -9.9 72.3 52.9 159 2376 A T S < S- 0 0 10 -4,-1.0 28,-0.1 -5,-0.1 27,-0.0 -0.891 74.9-117.5-141.5 169.3 -10.8 74.6 55.8 160 2377 A D + 0 0 174 -2,-0.3 -4,-0.1 2,-0.0 -3,-0.1 0.091 64.9 146.8 -92.3 23.6 -9.3 77.4 58.0 161 2378 A M - 0 0 52 -6,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.305 53.0-112.5 -74.4 144.8 -9.6 75.1 61.0 162 2379 A E > - 0 0 77 1,-0.1 4,-1.2 -2,-0.0 3,-0.2 -0.459 26.4-124.1 -71.4 140.6 -7.1 75.2 63.9 163 2380 A H H > S+ 0 0 41 1,-0.2 4,-2.8 -2,-0.2 3,-0.3 0.884 99.4 48.9 -57.6 -51.9 -5.0 72.0 64.2 164 2381 A N H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.870 107.1 52.8 -67.7 -35.6 -5.7 70.9 67.8 165 2382 A R H > S+ 0 0 156 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.827 114.4 44.4 -70.3 -28.0 -9.5 71.0 67.8 166 2383 A V H X S+ 0 0 1 -4,-1.2 4,-1.5 -3,-0.3 3,-0.3 0.936 113.0 49.7 -77.5 -45.8 -9.5 68.9 64.6 167 2384 A L H >X S+ 0 0 35 -4,-2.8 4,-2.4 1,-0.2 3,-0.5 0.925 111.4 50.2 -54.3 -46.3 -6.9 66.4 65.9 168 2385 A E H 3< S+ 0 0 126 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.820 107.9 53.0 -68.2 -29.3 -8.9 66.1 69.2 169 2386 A A H 3< S+ 0 0 48 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.808 117.2 37.5 -69.9 -30.0 -12.1 65.4 67.3 170 2387 A L H X< S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.5 -2,-0.2 0.779 97.9 76.8 -95.2 -30.5 -10.6 62.6 65.3 171 2388 A L T 3< S+ 0 0 77 -4,-2.4 -2,-0.1 1,-0.3 -3,-0.1 0.861 96.7 42.2 -54.5 -48.3 -8.3 60.9 67.8 172 2389 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.439 86.5 120.3 -84.1 4.3 -10.8 58.9 69.9 173 2390 A L S < S- 0 0 50 -3,-1.4 3,-0.1 1,-0.1 -3,-0.1 -0.192 74.8-111.1 -73.0 164.9 -13.0 57.7 67.0 174 2391 A K S S- 0 0 171 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.856 78.6 -42.4 -65.5 -38.6 -13.5 54.0 66.3 175 2392 A G S > S- 0 0 20 1,-0.1 4,-2.1 -31,-0.0 3,-0.3 -0.947 74.9 -58.3-174.0-173.9 -11.5 53.8 63.1 176 2393 A L H > S+ 0 0 13 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.856 123.1 55.7 -57.2 -41.4 -10.6 55.3 59.7 177 2394 A E H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 109.6 45.6 -64.1 -39.2 -14.2 55.4 58.4 178 2395 A E H > S+ 0 0 70 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.894 112.4 51.7 -69.1 -39.6 -15.5 57.4 61.4 179 2396 A R H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 111.2 48.0 -60.7 -45.5 -12.5 59.8 61.1 180 2397 A V H X S+ 0 0 2 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.938 111.2 50.0 -61.2 -44.6 -13.3 60.3 57.4 181 2398 A A H X S+ 0 0 49 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 112.1 47.8 -63.3 -41.5 -17.0 60.9 58.1 182 2399 A A H X S+ 0 0 30 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.928 112.4 50.2 -61.4 -44.5 -16.2 63.4 60.8 183 2400 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.918 109.9 49.1 -60.6 -46.7 -13.7 65.2 58.4 184 2401 A V H X S+ 0 0 4 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.931 109.3 52.1 -64.1 -40.7 -16.1 65.4 55.5 185 2402 A D H X S+ 0 0 94 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.909 110.5 49.4 -63.0 -38.5 -18.8 66.9 57.8 186 2403 A L H X S+ 0 0 52 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.905 113.0 46.3 -65.1 -40.7 -16.3 69.5 59.0 187 2404 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.919 110.4 52.6 -68.3 -42.1 -15.4 70.4 55.4 188 2405 A I H < S+ 0 0 17 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.856 102.5 59.6 -61.8 -36.8 -19.0 70.5 54.2 189 2406 A K H < S+ 0 0 164 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.921 115.2 35.6 -56.7 -42.8 -19.8 73.0 57.1 190 2407 A S H < S+ 0 0 54 -4,-1.2 2,-0.3 -3,-0.3 -2,-0.2 0.766 133.3 27.6 -74.4 -34.3 -17.2 75.3 55.6 191 2408 A H >< + 0 0 66 -4,-2.3 3,-2.0 -5,-0.1 -1,-0.2 -0.666 67.8 176.7-139.0 75.3 -17.8 74.5 51.9 192 2409 A Q T 3 S+ 0 0 162 -3,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.681 75.6 58.9 -61.2 -25.0 -21.5 73.4 51.6 193 2410 A G T 3 S+ 0 0 60 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.498 79.7 105.5 -87.1 -7.0 -21.3 73.0 47.8 194 2411 A L S < S- 0 0 20 -3,-2.0 2,-0.5 -7,-0.1 -3,-0.0 -0.393 82.2-100.5 -71.9 153.8 -18.5 70.4 47.7 195 2412 A D > - 0 0 71 1,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.622 22.1-148.7 -82.2 125.5 -19.5 66.8 46.9 196 2413 A R H > S+ 0 0 125 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.881 98.0 46.2 -58.2 -43.6 -19.7 64.6 50.0 197 2414 A Q H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 111.0 51.8 -74.8 -33.6 -18.6 61.4 48.1 198 2415 A E H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -191,-0.3 0.927 113.2 46.5 -60.9 -47.0 -15.7 63.2 46.4 199 2416 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.904 112.1 49.7 -61.4 -43.1 -14.6 64.4 49.8 200 2417 A S H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.926 113.5 45.4 -63.8 -47.3 -15.0 61.0 51.4 201 2418 A F H X S+ 0 0 15 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.910 112.9 51.0 -61.3 -42.9 -13.0 59.3 48.7 202 2419 A A H X S+ 0 0 8 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.908 112.0 46.9 -61.1 -43.5 -10.3 61.9 48.8 203 2420 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.940 115.9 42.9 -65.0 -50.6 -9.9 61.7 52.6 204 2421 A R H X S+ 0 0 46 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.954 116.4 48.1 -61.4 -49.1 -9.7 57.9 52.7 205 2422 A S H X S+ 0 0 3 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 0.819 102.9 63.3 -65.7 -31.1 -7.4 57.7 49.6 206 2423 A F H X S+ 0 0 24 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.944 105.9 45.1 -57.1 -47.6 -5.1 60.3 51.0 207 2424 A Y H X S+ 0 0 8 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.947 115.2 46.5 -61.6 -45.8 -4.3 58.1 54.0 208 2425 A Y H X S+ 0 0 100 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.885 110.3 53.6 -67.6 -36.0 -3.8 55.0 51.7 209 2426 A K H X S+ 0 0 5 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.922 111.2 46.3 -60.7 -42.6 -1.7 57.0 49.3 210 2427 A L H X S+ 0 0 32 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.927 111.4 51.2 -67.9 -44.1 0.6 58.1 52.1 211 2428 A R H X S+ 0 0 43 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.929 110.6 49.4 -57.9 -43.8 0.8 54.5 53.6 212 2429 A A H X S+ 0 0 5 -4,-2.5 4,-0.6 1,-0.2 -147,-0.5 0.925 111.9 47.7 -64.8 -42.5 1.8 53.1 50.2 213 2430 A A H >< S+ 0 0 3 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.903 110.1 52.6 -64.7 -39.5 4.5 55.8 49.7 214 2431 A E H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.3 44.3 -62.2 -35.5 5.9 55.2 53.2 215 2432 A Q H 3< S+ 0 0 147 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.462 92.7 112.4 -88.6 -6.6 6.2 51.5 52.5 216 2433 A Y << + 0 0 12 -3,-0.8 -88,-0.1 -4,-0.6 -152,-0.0 -0.564 27.5 155.3 -81.5 130.4 7.7 51.7 49.0 217 2434 A T - 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