==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 24-JAN-12 4DFK . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR K.BERGEN,A.STECK,S.STRUETT,A.BACCARO,W.WELTE,K.DIEDERICHS,A. . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 20 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 2 1 1 4 2 3 0 0 1 2 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 1 2 2 0 2 1 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 . 2 1 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 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 1 294 A L 0 0 110 0, 0.0 2,-0.4 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 144.0 47.1 -58.3 -17.3 2 295 A E E -a 38 0A 114 35,-2.5 37,-2.3 1,-0.1 2,-0.2 -0.575 360.0-122.4 -73.6 125.2 49.8 -59.3 -19.8 3 296 A E E +a 39 0A 151 -2,-0.4 37,-0.2 35,-0.2 -1,-0.1 -0.511 37.9 176.9 -69.2 136.2 52.3 -56.5 -20.3 4 297 A A E -a 40 0A 20 35,-2.5 37,-0.6 -2,-0.2 34,-0.0 -0.964 32.3 -92.0-139.3 153.5 52.5 -55.5 -24.0 5 298 A P - 0 0 110 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.290 58.4 -71.9 -66.0 150.6 54.5 -52.8 -25.8 6 299 A W S S+ 0 0 38 35,-0.4 35,-0.1 2,-0.0 26,-0.0 -0.503 96.6 63.1 -67.5 147.1 53.1 -49.3 -26.5 7 300 A P - 0 0 78 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.560 69.8-146.0 -90.5 163.1 50.9 -48.4 -28.4 8 301 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.396 26.4-100.3 -79.1 165.4 47.6 -49.9 -27.5 9 302 A P > - 0 0 61 0, 0.0 3,-1.3 0, 0.0 2,-0.0 -0.317 54.5 -74.1 -76.8 170.3 44.9 -50.9 -30.0 10 303 A E T 3 S+ 0 0 145 1,-0.2 42,-0.0 -2,-0.1 0, 0.0 -0.357 117.8 34.1 -66.1 144.6 41.9 -48.6 -30.7 11 304 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 43,-0.1 0, 0.0 0.357 83.3 146.2 93.9 -4.8 39.2 -48.6 -28.0 12 305 A A < - 0 0 14 -3,-1.3 2,-0.4 1,-0.1 44,-0.3 -0.260 50.2-117.5 -66.3 153.3 41.7 -49.1 -25.1 13 306 A F E -B 34 0A 14 21,-2.7 21,-2.4 42,-0.1 2,-0.2 -0.764 29.7-137.0 -92.1 135.9 41.1 -47.6 -21.7 14 307 A V E -B 33 0A 3 42,-3.1 44,-0.4 -2,-0.4 2,-0.4 -0.618 17.8-172.2 -96.8 149.1 43.6 -45.0 -20.5 15 308 A G E +B 32 0A 2 17,-2.5 17,-3.0 -2,-0.2 2,-0.3 -0.985 15.6 171.8-130.3 144.6 45.2 -44.6 -17.1 16 309 A F E -B 31 0A 9 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.996 24.3-142.9-152.8 153.2 47.4 -41.6 -16.3 17 310 A V E -B 30 0A 14 13,-2.1 12,-2.2 -2,-0.3 13,-1.2 -0.985 15.6-161.7-123.8 128.3 49.2 -39.9 -13.4 18 311 A L E -B 28 0A 29 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.820 25.4-131.2-107.2 148.5 49.5 -36.1 -13.1 19 312 A S S S+ 0 0 64 8,-2.1 2,-0.3 -2,-0.3 9,-0.1 0.737 95.5 6.9 -67.8 -23.5 51.9 -34.1 -10.9 20 313 A R S S- 0 0 109 7,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.966 83.3-103.7-154.7 165.0 49.0 -32.1 -9.6 21 314 A K S S+ 0 0 129 -2,-0.3 5,-0.1 4,-0.1 -2,-0.0 0.757 94.0 84.0 -68.4 -27.3 45.2 -32.2 -9.9 22 315 A E >> - 0 0 30 1,-0.2 3,-1.5 2,-0.1 4,-1.2 -0.659 65.1-155.4 -84.8 115.4 44.8 -29.3 -12.3 23 316 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.789 91.8 57.6 -65.1 -26.1 45.3 -30.5 -15.9 24 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.732 119.0 32.4 -71.5 -18.4 46.3 -27.0 -17.3 25 318 A W T <4 S+ 0 0 75 -3,-1.5 -1,-0.2 -5,-0.1 2,-0.1 0.479 98.6 107.8-113.4 -6.3 49.1 -27.0 -14.7 26 319 A A < - 0 0 2 -4,-1.2 2,-0.4 -3,-0.1 -5,-0.0 -0.419 61.1-134.0 -86.4 149.3 50.1 -30.6 -14.4 27 320 A D - 0 0 73 -2,-0.1 -8,-2.1 1,-0.0 2,-1.0 -0.831 27.5-126.0 -87.6 132.2 53.1 -32.6 -15.6 28 321 A L E +B 18 0A 3 -2,-0.4 18,-0.2 -10,-0.2 -10,-0.2 -0.733 34.4 176.4 -81.1 102.4 52.0 -35.9 -17.2 29 322 A L E - 0 0 95 -12,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.810 59.8 -0.6 -82.2 -32.4 54.1 -38.3 -15.2 30 323 A A E -B 17 0A 31 -13,-1.2 -13,-2.1 14,-0.1 2,-0.3 -0.989 55.6-166.1-158.9 154.6 52.9 -41.6 -16.7 31 324 A L E +B 16 0A 3 11,-0.4 11,-2.9 -2,-0.3 2,-0.3 -0.995 15.1 163.2-147.0 132.2 50.5 -42.9 -19.2 32 325 A A E -BC 15 41A 0 -17,-3.0 -17,-2.5 -2,-0.3 2,-0.3 -0.934 17.2-152.1-144.0 169.3 49.1 -46.4 -19.8 33 326 A A E -BC 14 40A 1 7,-2.3 7,-3.3 -2,-0.3 2,-0.4 -0.996 4.3-157.6-146.7 151.3 46.3 -48.3 -21.6 34 327 A A E +BC 13 39A 0 -21,-2.4 -21,-2.7 -2,-0.3 2,-0.3 -0.990 24.5 135.8-135.4 135.4 44.4 -51.5 -21.1 35 328 A R E > + C 0 38A 116 3,-1.9 3,-1.7 -2,-0.4 -23,-0.1 -0.900 62.5 12.0-169.5 145.4 42.4 -53.7 -23.5 36 329 A G T 3 S- 0 0 56 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.799 129.2 -49.9 58.9 35.1 41.9 -57.4 -24.3 37 330 A G T 3 S+ 0 0 38 1,-0.3 -35,-2.5 -36,-0.1 2,-0.3 0.556 117.1 106.9 83.6 9.8 43.8 -58.7 -21.3 38 331 A R E < -aC 2 35A 108 -3,-1.7 -3,-1.9 -37,-0.2 2,-0.4 -0.873 53.5-153.9-122.8 153.8 46.8 -56.5 -21.9 39 332 A V E -aC 3 34A 8 -37,-2.3 -35,-2.5 -2,-0.3 2,-0.5 -0.995 10.4-162.8-123.6 131.2 48.3 -53.5 -20.3 40 333 A H E -aC 4 33A 13 -7,-3.3 -7,-2.3 -2,-0.4 2,-0.5 -0.965 4.0-160.4-117.0 120.8 50.5 -51.1 -22.3 41 334 A R E - C 0 32A 97 -37,-0.6 -35,-0.4 -2,-0.5 -9,-0.2 -0.869 16.8-129.9-105.3 129.0 52.8 -48.6 -20.5 42 335 A A - 0 0 15 -11,-2.9 -11,-0.4 -2,-0.5 4,-0.1 -0.630 8.6-159.6 -80.2 124.0 54.1 -45.6 -22.4 43 336 A P S S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.874 93.0 28.1 -67.3 -39.5 57.9 -45.0 -22.1 44 337 A E S > S- 0 0 113 1,-0.1 4,-2.3 -13,-0.0 5,-0.2 -0.904 77.3-164.4-123.7 102.0 57.5 -41.3 -23.0 45 338 A P H > S+ 0 0 24 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.859 83.0 48.5 -56.7 -47.2 54.1 -40.1 -21.8 46 339 A Y H > S+ 0 0 67 -18,-0.2 4,-0.6 1,-0.2 3,-0.4 0.924 115.4 43.2 -63.2 -47.4 53.9 -36.8 -23.8 47 340 A K H >4 S+ 0 0 141 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.879 110.1 59.3 -62.3 -37.6 54.9 -38.3 -27.1 48 341 A A H >< S+ 0 0 3 -4,-2.3 3,-2.0 1,-0.3 4,-0.5 0.777 89.3 71.1 -65.0 -28.2 52.6 -41.3 -26.4 49 342 A L H >< S+ 0 0 2 -4,-1.3 3,-1.6 -3,-0.4 -1,-0.3 0.869 87.9 65.4 -53.9 -37.5 49.6 -39.0 -26.2 50 343 A R T << S+ 0 0 126 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.679 93.9 61.3 -61.1 -17.8 49.9 -38.5 -29.9 51 344 A D T < S+ 0 0 91 -3,-2.0 -1,-0.3 -4,-0.2 2,-0.2 0.691 85.4 92.1 -83.8 -20.0 49.0 -42.2 -30.4 52 345 A L < - 0 0 29 -3,-1.6 3,-0.1 -4,-0.5 -42,-0.1 -0.521 54.4-162.7 -83.5 144.5 45.6 -42.1 -28.8 53 346 A K S S- 0 0 116 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.733 78.9 -7.5 -90.3 -31.1 42.3 -41.5 -30.7 54 347 A E S S- 0 0 50 20,-0.2 2,-0.8 -42,-0.1 -1,-0.4 -0.973 70.3-108.7-158.2 157.6 40.3 -40.6 -27.6 55 348 A A B +d 76 0B 0 20,-2.6 22,-3.4 -2,-0.3 2,-0.5 -0.871 40.9 175.2 -93.2 111.7 40.7 -40.5 -23.9 56 349 A R + 0 0 49 -2,-0.8 -42,-3.1 -44,-0.3 2,-0.3 -0.963 38.2 48.5-121.3 113.9 38.5 -43.3 -22.5 57 350 A G S > S- 0 0 0 21,-2.4 3,-1.4 -2,-0.5 24,-0.2 -0.949 92.4 -12.6 151.3-172.7 38.7 -44.0 -18.8 58 351 A L T 3 S+ 0 0 3 -44,-0.4 58,-0.1 54,-0.3 21,-0.0 -0.365 129.5 2.0 -60.6 135.3 38.5 -42.5 -15.3 59 352 A L T >> S+ 0 0 45 1,-0.1 4,-1.3 3,-0.1 3,-0.8 0.815 80.0 164.5 56.8 38.7 38.8 -38.6 -15.4 60 353 A A H <> + 0 0 1 -3,-1.4 4,-2.2 1,-0.3 5,-0.2 0.856 67.9 60.2 -54.8 -40.2 39.0 -38.7 -19.2 61 354 A K H 3> S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.881 99.6 55.9 -60.8 -37.5 38.3 -35.0 -19.5 62 355 A D H <> S+ 0 0 10 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.930 108.7 46.5 -61.4 -44.0 41.4 -34.1 -17.4 63 356 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.904 111.7 52.5 -64.2 -39.5 43.6 -36.0 -19.9 64 357 A S H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 10,-0.3 0.893 107.1 52.1 -62.0 -40.5 41.8 -34.3 -22.8 65 358 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.930 110.8 47.3 -62.5 -44.9 42.4 -30.9 -21.3 66 359 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.911 112.3 50.6 -62.2 -41.0 46.2 -31.6 -20.9 67 360 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.3 0.934 110.5 48.4 -61.6 -45.2 46.2 -32.9 -24.5 68 361 A L H ><5S+ 0 0 36 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.880 106.8 57.0 -63.0 -38.9 44.5 -29.8 -25.8 69 362 A R H 3<5S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.858 106.6 50.3 -55.9 -36.9 47.0 -27.7 -23.8 70 363 A E T 3<5S- 0 0 61 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.271 126.4-102.4 -88.3 10.2 49.7 -29.5 -25.8 71 364 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.732 80.3 130.6 77.7 24.7 48.0 -28.7 -29.1 72 365 A L < - 0 0 34 -5,-2.5 2,-1.8 -8,-0.1 -1,-0.2 -0.942 56.8-138.4-114.4 128.6 46.5 -32.2 -29.6 73 366 A G + 0 0 76 -2,-0.5 -9,-0.1 -3,-0.1 -5,-0.0 -0.541 43.3 154.1 -85.0 75.8 42.8 -32.7 -30.4 74 367 A L - 0 0 7 -2,-1.8 -6,-0.2 -10,-0.3 -20,-0.2 -0.895 28.5-155.4-107.2 105.5 42.2 -35.7 -28.2 75 368 A P - 0 0 57 0, 0.0 -20,-2.6 0, 0.0 2,-0.2 -0.511 16.3-117.2 -83.4 152.2 38.5 -35.9 -27.2 76 369 A P B +d 55 0B 10 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.593 37.1 173.5 -80.7 146.7 37.3 -37.6 -24.0 77 370 A G + 0 0 6 -22,-3.4 -20,-0.1 1,-0.5 -16,-0.1 -0.062 49.2 5.0-122.4-134.3 35.0 -40.6 -24.4 78 371 A D - 0 0 15 -2,-0.1 -21,-2.4 -22,-0.1 -1,-0.5 -0.229 60.0-178.0 -54.2 140.4 33.6 -43.1 -21.9 79 372 A D >> - 0 0 12 -23,-0.2 3,-1.3 -3,-0.1 4,-1.2 -0.930 25.0-149.5-143.4 114.9 34.4 -42.3 -18.3 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.780 96.6 68.1 -56.2 -27.1 33.2 -44.6 -15.5 81 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 99.8 49.3 -56.3 -40.1 32.9 -41.5 -13.2 82 375 A L H <> S+ 0 0 2 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.886 110.9 48.2 -69.6 -39.0 30.0 -40.3 -15.3 83 376 A L H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.936 114.5 46.6 -63.8 -46.8 28.2 -43.7 -15.2 84 377 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 7,-0.3 0.912 109.7 53.6 -63.0 -41.8 28.7 -43.9 -11.4 85 378 A Y H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.864 108.5 49.9 -63.6 -35.7 27.6 -40.3 -10.9 86 379 A L H < S+ 0 0 1 -4,-1.7 348,-0.5 1,-0.2 -1,-0.2 0.863 108.7 52.0 -70.4 -36.4 24.3 -40.9 -12.8 87 380 A L H < S- 0 0 21 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.879 138.5 -9.6 -63.6 -35.8 23.6 -44.0 -10.7 88 381 A D >< - 0 0 20 -4,-1.9 3,-2.5 -5,-0.2 -1,-0.3 -0.779 61.0-145.6-168.0 110.7 24.1 -42.0 -7.5 89 382 A P T 3 S+ 0 0 7 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.491 94.0 77.6 -71.3 1.0 25.4 -38.5 -7.4 90 383 A S T 3 S+ 0 0 81 -6,-0.1 2,-1.4 1,-0.1 3,-0.2 0.558 72.2 94.1 -76.9 -8.5 27.2 -39.2 -4.1 91 384 A N < + 0 0 8 -3,-2.5 -3,-0.1 -7,-0.3 -1,-0.1 -0.690 46.8 137.2 -79.1 92.5 29.7 -40.9 -6.3 92 385 A T + 0 0 60 -2,-1.4 -1,-0.2 183,-0.1 182,-0.2 0.568 49.1 53.9-119.1 -13.3 32.0 -37.9 -6.7 93 386 A T > - 0 0 58 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.927 69.6-130.6-127.2 150.3 35.6 -39.2 -6.4 94 387 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.854 109.9 58.7 -66.7 -31.3 37.6 -41.9 -8.2 95 388 A E H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 10,-0.2 0.925 112.7 38.6 -57.5 -46.1 38.7 -43.3 -4.8 96 389 A G H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 116.1 49.9 -74.2 -42.4 35.1 -43.9 -3.8 97 390 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.929 110.5 51.4 -63.0 -44.1 33.9 -45.1 -7.1 98 391 A A H X>S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-1.4 0.938 111.8 46.1 -57.5 -50.2 36.8 -47.6 -7.4 99 392 A R H <5S+ 0 0 172 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.881 116.9 45.2 -59.6 -38.1 36.0 -49.0 -3.9 100 393 A R H <5S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 122.0 32.5 -77.7 -34.4 32.3 -49.2 -4.6 101 394 A Y H <5S- 0 0 10 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.389 129.3 -56.6-117.1 2.1 32.4 -50.7 -8.1 102 395 A G T <5S+ 0 0 36 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.781 93.9 17.2 132.7 58.5 35.4 -53.0 -8.2 103 396 A G S - 0 0 56 1,-0.1 4,-2.3 -92,-0.1 -2,-0.2 -0.966 66.5-142.9-120.3 131.8 50.2 -46.1 -10.9 109 402 A A H > S+ 0 0 2 -2,-0.4 4,-2.2 1,-0.2 -77,-0.2 0.866 99.8 52.1 -62.4 -42.1 49.0 -45.5 -14.5 110 403 A G H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 111.2 47.6 -61.4 -41.9 48.9 -49.1 -15.5 111 404 A E H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 111.0 52.0 -66.8 -38.3 46.7 -49.9 -12.5 112 405 A R H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 -54,-0.3 0.854 109.5 49.7 -64.1 -35.3 44.5 -46.9 -13.3 113 406 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -79,-0.2 0.929 112.3 46.7 -68.6 -44.4 44.0 -48.1 -16.9 114 407 A A H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.890 113.2 50.4 -62.4 -42.2 43.1 -51.6 -15.7 115 408 A L H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.925 107.6 52.4 -62.2 -47.1 40.8 -50.2 -13.1 116 409 A S H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.911 109.6 51.0 -55.4 -44.9 39.1 -47.9 -15.7 117 410 A E H X S+ 0 0 48 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.931 114.8 39.9 -60.5 -48.2 38.5 -51.0 -18.0 118 411 A R H X S+ 0 0 118 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 114.0 53.1 -76.8 -33.5 36.9 -53.1 -15.3 119 412 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.905 107.9 52.0 -63.8 -41.5 34.9 -50.3 -13.7 120 413 A F H X S+ 0 0 23 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.944 109.4 50.5 -59.1 -46.8 33.4 -49.4 -17.1 121 414 A A H X S+ 0 0 66 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.931 115.9 40.7 -53.0 -52.2 32.4 -53.1 -17.6 122 415 A N H X S+ 0 0 63 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.938 117.0 46.5 -68.3 -46.0 30.7 -53.2 -14.2 123 416 A L H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.872 109.1 55.0 -66.7 -37.3 29.1 -49.8 -14.3 124 417 A W H < S+ 0 0 65 -4,-2.9 3,-0.5 -5,-0.3 4,-0.3 0.922 107.4 51.8 -58.8 -43.1 27.8 -50.3 -17.9 125 418 A G H >< S+ 0 0 39 -4,-1.7 3,-1.0 -5,-0.3 -1,-0.2 0.845 105.0 55.6 -60.5 -36.9 26.1 -53.5 -16.7 126 419 A R H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.779 103.9 54.5 -68.6 -27.3 24.5 -51.5 -13.8 127 420 A L T >< S+ 0 0 0 -4,-1.3 3,-1.6 -3,-0.5 -1,-0.2 0.484 78.4 120.3 -86.2 -1.6 22.9 -49.1 -16.3 128 421 A E T < S+ 0 0 137 -3,-1.0 3,-0.1 -4,-0.3 -3,-0.0 -0.461 85.8 11.4 -63.3 126.7 21.3 -52.0 -18.3 129 422 A G T 3 S+ 0 0 78 -2,-0.2 2,-1.8 1,-0.1 -1,-0.3 0.184 97.1 110.4 88.1 -18.3 17.6 -51.4 -18.2 130 423 A E <> + 0 0 54 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 -0.540 42.1 169.1 -84.8 70.9 18.0 -47.9 -16.8 131 424 A E H > S+ 0 0 71 -2,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.841 70.2 48.7 -57.1 -39.1 16.9 -46.3 -20.1 132 425 A R H > S+ 0 0 121 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 112.1 47.0 -73.5 -38.3 16.6 -42.8 -18.7 133 426 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 111.1 53.9 -66.6 -37.0 20.0 -42.7 -17.1 134 427 A L H X S+ 0 0 23 -4,-2.4 4,-2.7 -7,-0.2 5,-0.3 0.872 106.4 51.9 -64.0 -37.1 21.5 -44.2 -20.3 135 428 A W H X S+ 0 0 96 -4,-1.8 4,-3.2 -5,-0.2 5,-0.5 0.936 108.7 50.3 -64.4 -45.5 19.9 -41.3 -22.3 136 429 A L H X>S+ 0 0 0 -4,-2.0 5,-2.5 295,-0.2 4,-1.7 0.905 112.5 48.1 -58.4 -41.6 21.5 -38.8 -19.9 137 430 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.7 3,-0.2 -2,-0.2 0.967 120.4 34.7 -63.4 -52.3 24.9 -40.5 -20.4 138 431 A R H <5S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.855 128.8 33.5 -73.6 -37.1 24.7 -40.7 -24.2 139 432 A E H <5S+ 0 0 94 -4,-3.2 -3,-0.2 -5,-0.3 -1,-0.2 0.650 134.8 10.5 -97.1 -18.2 22.9 -37.5 -24.9 140 433 A V T X5S+ 0 0 2 -4,-1.7 4,-2.4 -5,-0.5 -3,-0.2 0.656 122.0 38.6-124.8 -69.6 24.2 -35.2 -22.1 141 434 A E H >> S+ 0 0 40 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.875 111.2 59.9 -66.4 -32.6 29.2 -35.3 -25.0 144 437 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.871 94.7 63.7 -62.5 -33.7 29.3 -32.5 -22.4 145 438 A S H 3X S+ 0 0 4 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.869 102.1 50.1 -58.9 -35.2 32.7 -33.7 -21.2 146 439 A A H + 0 0 61 145,-2.5 4,-1.9 -2,-0.4 5,-0.1 -0.655 36.0 174.1 -82.8 87.6 43.1 -7.4 -16.8 160 453 A V H > S+ 0 0 42 -2,-1.6 4,-2.7 1,-0.2 5,-0.2 0.889 72.8 53.1 -64.8 -42.8 46.0 -8.2 -14.4 161 454 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 108.6 51.5 -63.9 -38.0 47.5 -4.7 -14.3 162 455 A Y H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 111.7 46.7 -61.7 -46.5 44.1 -3.3 -13.4 163 456 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.893 109.4 53.4 -66.2 -38.9 43.7 -5.8 -10.5 164 457 A R H X S+ 0 0 114 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.916 112.2 45.7 -61.9 -41.3 47.2 -5.1 -9.2 165 458 A A H X S+ 0 0 56 -4,-2.0 4,-1.5 -5,-0.2 3,-0.2 0.915 110.0 54.0 -66.9 -40.5 46.4 -1.4 -9.1 166 459 A L H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.882 101.2 60.9 -60.0 -39.9 43.1 -2.0 -7.4 167 460 A S H X S+ 0 0 16 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.906 102.8 50.6 -54.0 -46.1 44.8 -4.1 -4.7 168 461 A L H X S+ 0 0 122 -4,-1.2 4,-1.3 -3,-0.2 -1,-0.2 0.890 111.7 47.1 -63.1 -40.4 46.8 -1.0 -3.6 169 462 A E H X S+ 0 0 120 -4,-1.5 4,-1.5 2,-0.2 3,-0.2 0.925 113.2 48.0 -65.9 -45.7 43.7 1.2 -3.4 170 463 A V H X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.896 105.1 59.9 -64.9 -37.1 41.7 -1.4 -1.4 171 464 A A H X S+ 0 0 41 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.889 103.8 51.3 -57.7 -40.3 44.6 -2.0 1.0 172 465 A E H X S+ 0 0 138 -4,-1.3 4,-1.6 -3,-0.2 -1,-0.2 0.900 111.0 46.7 -67.1 -38.8 44.5 1.7 2.0 173 466 A E H X S+ 0 0 66 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.884 109.7 53.8 -70.1 -37.2 40.8 1.6 2.7 174 467 A I H X S+ 0 0 18 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.916 106.3 53.8 -60.3 -42.3 41.1 -1.7 4.7 175 468 A A H X S+ 0 0 42 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.903 107.5 50.2 -58.4 -43.0 43.8 0.0 6.9 176 469 A R H X S+ 0 0 119 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.917 113.5 45.6 -62.2 -43.0 41.4 2.9 7.6 177 470 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 113.2 47.9 -67.2 -45.6 38.6 0.5 8.6 178 471 A E H X S+ 0 0 65 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.904 109.6 53.4 -66.1 -37.2 40.8 -1.8 10.8 179 472 A A H X S+ 0 0 55 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.898 110.2 48.3 -62.4 -42.1 42.4 1.2 12.6 180 473 A E H X S+ 0 0 60 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.911 109.8 51.8 -63.7 -44.6 38.9 2.4 13.5 181 474 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 6,-0.2 0.933 111.6 46.7 -57.8 -45.6 37.8 -1.0 14.7 182 475 A F H X>S+ 0 0 43 -4,-2.6 4,-1.3 2,-0.2 5,-1.0 0.884 111.1 52.2 -66.6 -38.4 40.9 -1.2 17.0 183 476 A R H <5S+ 0 0 145 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.940 112.5 45.4 -58.7 -47.2 40.3 2.3 18.3 184 477 A L H <5S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.803 111.5 51.1 -69.6 -31.2 36.7 1.4 19.1 185 478 A A H <5S- 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.728 110.2-126.1 -74.5 -22.7 37.6 -1.9 20.7 186 479 A G T <5S+ 0 0 62 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.1 0.406 83.2 37.7 90.5 -0.0 40.2 0.1 22.8 187 480 A H S - 0 0 80 -2,-0.3 3,-2.0 1,-0.2 7,-0.3 -0.704 42.4-170.3 -81.4 102.1 43.4 -10.1 14.9 191 484 A L T 3 S+ 0 0 6 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.716 83.6 63.9 -67.3 -18.6 40.3 -8.8 13.2 192 485 A N T 3 S+ 0 0 110 -3,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.576 85.9 87.1 -78.4 -9.7 40.5 -11.8 10.9 193 486 A S <> - 0 0 28 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.825 59.9-167.1 -94.2 111.9 39.9 -14.1 13.9 194 487 A R H > S+ 0 0 66 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.806 90.2 58.3 -68.0 -25.7 36.2 -14.6 14.5 195 488 A D H > S+ 0 0 55 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 109.4 43.2 -67.2 -43.2 37.2 -16.1 17.9 196 489 A Q H > S+ 0 0 70 -6,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.917 114.3 50.5 -68.6 -41.0 39.0 -12.9 18.9 197 490 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -7,-0.3 5,-0.3 0.867 104.7 57.7 -63.2 -39.3 36.2 -10.7 17.5 198 491 A E H X>S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 5,-0.5 0.923 107.5 48.0 -55.6 -44.5 33.5 -12.7 19.4 199 492 A R H X>S+ 0 0 121 -4,-1.4 5,-2.3 1,-0.2 4,-1.5 0.890 112.5 48.9 -66.9 -38.8 35.3 -11.9 22.7 200 493 A V H <>S+ 0 0 2 -4,-1.8 5,-2.9 3,-0.2 -2,-0.2 0.943 117.7 38.9 -64.6 -49.2 35.5 -8.2 21.8 201 494 A L H <5S+ 0 0 0 -4,-2.8 6,-1.1 3,-0.2 -2,-0.2 0.909 129.2 26.2 -68.0 -44.8 31.9 -7.8 20.8 202 495 A F H <5S+ 0 0 18 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.765 131.9 27.7-101.9 -28.1 30.2 -9.9 23.4 203 496 A D T < - 0 0 39 5,-2.6 4,-0.8 -2,-0.3 7,-0.0 -0.418 29.6-121.8 -81.3 159.7 27.4 -21.3 15.4 214 507 A E T 4 S+ 0 0 169 2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.942 96.5 26.1 -73.0 -54.7 26.4 -24.7 14.1 215 508 A K T 4 S+ 0 0 189 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.852 136.0 22.0 -81.3 -37.9 29.1 -27.2 15.1 216 509 A T T 4 S- 0 0 95 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.450 91.7-128.7-116.5 -2.9 30.7 -25.6 18.2 217 510 A G < + 0 0 38 -4,-0.8 -3,-0.1 1,-0.2 2,-0.1 0.784 48.3 157.2 61.7 30.0 28.0 -23.3 19.5 218 511 A K - 0 0 72 1,-0.1 -5,-2.6 -6,-0.1 2,-0.6 -0.396 58.5 -87.2 -72.9 162.7 30.1 -20.2 19.8 219 512 A R B -H 212 0E 58 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.659 56.1-121.6 -72.1 119.4 28.4 -16.8 19.7 220 513 A S - 0 0 17 -9,-2.4 -10,-0.3 -2,-0.6 -9,-0.3 -0.285 27.4-171.1 -68.1 145.7 28.2 -16.0 16.0 221 514 A T + 0 0 5 -11,-0.1 -1,-0.1 -12,-0.1 5,-0.1 -0.001 38.2 147.2-116.7 25.3 29.7 -12.9 14.4 222 515 A S > - 0 0 47 1,-0.1 4,-2.7 3,-0.1 3,-0.3 -0.123 65.5-107.2 -61.2 158.1 28.0 -13.5 11.0 223 516 A A H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.832 122.2 57.2 -54.1 -35.0 26.9 -10.7 8.8 224 517 A A H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 109.6 43.4 -62.4 -45.0 23.3 -11.5 9.7 225 518 A V H > S+ 0 0 8 -3,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.920 113.9 50.6 -65.0 -44.9 24.1 -11.1 13.4 226 519 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.892 106.3 55.9 -62.0 -39.0 26.1 -7.9 12.8 227 520 A E H >< S+ 0 0 96 -4,-2.5 3,-1.5 1,-0.3 4,-0.2 0.923 105.1 52.0 -57.9 -43.4 23.2 -6.5 10.7 228 521 A A H 3< S+ 0 0 45 -4,-1.6 -1,-0.3 1,-0.3 3,-0.3 0.739 112.9 47.0 -63.8 -22.2 21.0 -7.0 13.7 229 522 A L T XX S+ 0 0 7 -4,-0.9 3,-1.3 -3,-0.6 4,-0.8 0.249 75.2 112.9-104.6 11.1 23.6 -5.1 15.8 230 523 A R T <4 S+ 0 0 112 -3,-1.5 7,-0.3 1,-0.3 3,-0.3 0.833 84.3 39.8 -51.8 -39.5 24.1 -2.1 13.4 231 524 A E T 34 S+ 0 0 187 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.529 101.5 74.2 -90.0 -7.9 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