==== 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 4DFM . 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) . 24283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 70.3 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 . 23 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 43.2 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 1 1 1 1 4 3 2 0 0 2 1 1 0 1 2 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 0 103 0, 0.0 2,-0.4 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 149.8 47.3 -58.0 -17.0 2 295 A E E -a 38 0A 119 35,-2.2 37,-2.2 1,-0.1 2,-0.1 -0.545 360.0-123.0 -67.0 121.4 49.9 -59.1 -19.5 3 296 A E E +a 39 0A 119 -2,-0.4 37,-0.2 35,-0.2 -1,-0.1 -0.447 39.0 176.2 -66.6 139.2 52.5 -56.3 -19.9 4 297 A A E -a 40 0A 14 35,-2.4 37,-0.7 -2,-0.1 34,-0.0 -0.981 32.1 -89.1-146.6 154.0 52.8 -55.3 -23.6 5 298 A P - 0 0 106 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.274 58.9 -76.6 -64.6 147.4 54.6 -52.6 -25.6 6 299 A W S S+ 0 0 36 35,-0.5 35,-0.1 2,-0.0 26,-0.0 -0.531 95.4 64.2 -68.2 147.4 53.1 -49.2 -26.3 7 300 A P - 0 0 76 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.555 69.9-145.6 -91.8 161.6 51.0 -48.2 -28.2 8 301 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.320 25.9-100.6 -77.1 166.4 47.6 -49.8 -27.2 9 302 A P > - 0 0 60 0, 0.0 3,-1.3 0, 0.0 25,-0.0 -0.350 54.7 -71.7 -78.5 170.2 45.0 -50.8 -29.8 10 303 A E T 3 S+ 0 0 135 1,-0.2 42,-0.0 -2,-0.1 0, 0.0 -0.285 119.0 31.4 -59.7 145.3 41.9 -48.7 -30.5 11 304 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.2 -3,-0.1 2,-0.0 0.439 84.1 146.3 87.1 -0.1 39.3 -48.6 -27.7 12 305 A A < - 0 0 13 -3,-1.3 2,-0.4 23,-0.1 44,-0.4 -0.335 49.2-119.8 -69.1 151.6 41.8 -49.1 -24.9 13 306 A F E -B 34 0A 13 21,-2.6 21,-2.6 42,-0.1 2,-0.3 -0.781 27.4-137.4 -93.4 136.5 41.2 -47.4 -21.5 14 307 A V E -B 33 0A 1 42,-2.8 2,-0.3 -2,-0.4 44,-0.3 -0.636 16.0-169.9 -96.4 149.7 43.8 -45.0 -20.3 15 308 A G E +B 32 0A 1 17,-2.5 17,-2.8 -2,-0.3 2,-0.3 -0.965 17.0 173.1-127.6 148.0 45.3 -44.5 -16.9 16 309 A F E -B 31 0A 9 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.996 24.7-143.4-156.3 152.6 47.5 -41.5 -16.1 17 310 A V E -B 30 0A 16 13,-2.0 12,-2.1 -2,-0.3 13,-1.2 -0.988 15.6-163.1-124.7 127.3 49.3 -39.7 -13.2 18 311 A L E -B 28 0A 29 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.814 26.0-131.0-107.1 148.3 49.5 -35.9 -12.9 19 312 A S S S+ 0 0 66 8,-1.9 2,-0.3 -2,-0.3 -1,-0.1 0.762 95.6 10.2 -66.0 -26.5 51.9 -34.0 -10.7 20 313 A R S S- 0 0 108 7,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.973 82.5-106.5-150.3 162.8 49.0 -31.9 -9.4 21 314 A K S S+ 0 0 123 -2,-0.3 5,-0.1 4,-0.1 -1,-0.0 0.785 94.2 84.4 -64.2 -30.2 45.2 -32.1 -9.7 22 315 A E >> - 0 0 29 1,-0.1 3,-1.7 3,-0.1 4,-1.2 -0.650 66.0-155.2 -84.3 112.5 44.8 -29.2 -12.1 23 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.784 91.8 55.7 -58.7 -33.7 45.2 -30.4 -15.7 24 317 A M T 34 S+ 0 0 8 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.718 119.0 33.8 -70.3 -20.0 46.2 -27.0 -17.1 25 318 A W T <4 S+ 0 0 73 -3,-1.7 -1,-0.2 -5,-0.1 2,-0.1 0.497 99.0 108.0-110.9 -6.6 49.1 -26.8 -14.6 26 319 A A < - 0 0 3 -4,-1.2 2,-0.5 -3,-0.1 -5,-0.1 -0.383 61.2-135.4 -83.5 149.2 50.0 -30.5 -14.3 27 320 A D - 0 0 73 -2,-0.1 -8,-1.9 0, 0.0 2,-1.1 -0.861 27.3-125.2 -90.7 131.2 53.0 -32.4 -15.5 28 321 A L E +B 18 0A 4 -2,-0.5 18,-0.2 -10,-0.2 -10,-0.2 -0.699 35.5 175.2 -79.0 100.4 52.0 -35.7 -17.1 29 322 A L E - 0 0 97 -12,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.808 59.9 -0.4 -81.0 -32.9 54.2 -38.1 -15.0 30 323 A A E -B 17 0A 31 -13,-1.2 -13,-2.0 14,-0.1 2,-0.3 -0.993 54.9-167.9-158.2 155.9 52.9 -41.4 -16.5 31 324 A L E +B 16 0A 2 11,-0.4 11,-2.5 -2,-0.3 2,-0.3 -0.992 14.1 163.4-148.4 134.8 50.5 -42.8 -19.0 32 325 A A E -BC 15 41A 0 -17,-2.8 -17,-2.5 -2,-0.3 2,-0.3 -0.939 17.5-150.1-146.3 168.2 49.2 -46.3 -19.6 33 326 A A E -BC 14 40A 0 7,-2.1 7,-3.7 -2,-0.3 2,-0.4 -0.998 4.6-157.1-146.0 149.0 46.5 -48.2 -21.4 34 327 A A E +BC 13 39A 0 -21,-2.6 -21,-2.6 -2,-0.3 2,-0.3 -0.982 23.7 139.1-132.9 134.3 44.5 -51.4 -20.9 35 328 A R E > + C 0 38A 116 3,-2.0 3,-1.0 -2,-0.4 -23,-0.1 -0.887 63.8 7.2-168.0 141.1 42.6 -53.6 -23.2 36 329 A G T 3 S- 0 0 65 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.853 129.1 -49.3 58.1 42.2 42.0 -57.3 -23.9 37 330 A G T 3 S+ 0 0 41 1,-0.2 -35,-2.2 -36,-0.1 2,-0.3 0.696 117.6 108.7 72.1 19.7 44.0 -58.6 -20.9 38 331 A R E < -aC 2 35A 120 -3,-1.0 -3,-2.0 -37,-0.2 2,-0.4 -0.954 52.3-156.7-127.6 148.7 46.9 -56.4 -21.7 39 332 A V E -aC 3 34A 5 -37,-2.2 -35,-2.4 -2,-0.3 2,-0.6 -0.992 8.5-161.3-122.5 130.6 48.5 -53.3 -20.1 40 333 A H E -aC 4 33A 9 -7,-3.7 -7,-2.1 -2,-0.4 2,-0.5 -0.946 4.5-160.6-114.4 118.1 50.6 -50.9 -22.2 41 334 A R E - C 0 32A 88 -37,-0.7 -35,-0.5 -2,-0.6 -9,-0.2 -0.850 15.6-132.8-102.8 128.2 52.9 -48.5 -20.4 42 335 A A - 0 0 13 -11,-2.5 -11,-0.4 -2,-0.5 4,-0.1 -0.654 7.7-159.9 -82.7 121.2 54.2 -45.5 -22.2 43 336 A P S S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.850 93.5 31.8 -65.4 -34.3 58.0 -44.9 -21.8 44 337 A E S > S- 0 0 117 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.858 75.6-169.2-128.5 95.8 57.5 -41.2 -22.8 45 338 A P H > S+ 0 0 23 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.845 80.8 49.3 -55.8 -49.3 54.0 -40.0 -21.7 46 339 A Y H >4 S+ 0 0 65 -18,-0.2 3,-0.9 1,-0.2 4,-0.5 0.948 116.3 41.4 -60.1 -51.2 53.8 -36.6 -23.5 47 340 A K H >4 S+ 0 0 102 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.858 108.8 62.1 -64.5 -34.3 54.8 -38.1 -26.9 48 341 A A H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.4 0.735 86.4 73.7 -64.5 -24.5 52.6 -41.1 -26.3 49 342 A L G X< S+ 0 0 3 -4,-1.1 3,-1.7 -3,-0.9 -1,-0.2 0.866 85.9 65.8 -55.4 -37.3 49.5 -38.9 -26.1 50 343 A R G < S+ 0 0 127 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.698 93.0 61.5 -59.1 -21.8 49.8 -38.5 -29.9 51 344 A D G < S+ 0 0 80 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.3 0.666 87.1 90.1 -81.1 -18.0 49.0 -42.3 -30.3 52 345 A L < - 0 0 25 -3,-1.7 3,-0.1 -4,-0.4 -42,-0.1 -0.588 55.5-163.4 -86.1 141.4 45.6 -42.1 -28.7 53 346 A K S S- 0 0 142 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.711 79.5 -6.7 -89.1 -25.6 42.4 -41.4 -30.7 54 347 A E S S- 0 0 72 20,-0.2 2,-0.8 2,-0.1 -1,-0.3 -0.980 70.0-107.1-160.4 161.6 40.5 -40.5 -27.5 55 348 A A B +d 76 0B 0 20,-2.8 22,-3.5 -2,-0.3 2,-0.6 -0.866 41.3 175.6 -96.4 106.0 40.8 -40.4 -23.7 56 349 A R + 0 0 47 -2,-0.8 -42,-2.8 -44,-0.4 2,-0.3 -0.954 38.9 45.8-116.6 114.6 38.6 -43.3 -22.4 57 350 A G S > S- 0 0 0 21,-2.7 3,-1.5 -2,-0.6 24,-0.1 -0.932 92.2 -10.1 149.6-173.2 38.7 -43.9 -18.7 58 351 A L T 3 S+ 0 0 2 -44,-0.3 58,-0.1 54,-0.3 21,-0.0 -0.342 129.1 1.4 -59.7 133.5 38.6 -42.4 -15.2 59 352 A L T >> S+ 0 0 46 1,-0.1 4,-1.1 3,-0.1 3,-0.9 0.834 80.0 167.2 54.6 38.5 38.8 -38.6 -15.2 60 353 A A H <> + 0 0 1 -3,-1.5 4,-2.1 1,-0.2 3,-0.2 0.848 68.2 60.3 -47.1 -44.0 39.0 -38.6 -19.1 61 354 A K H 3> S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.881 98.0 57.2 -56.2 -42.0 38.4 -34.9 -19.2 62 355 A D H <> S+ 0 0 9 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.925 109.5 44.4 -57.9 -45.3 41.5 -34.0 -17.2 63 356 A L H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.903 112.7 53.0 -65.8 -39.2 43.8 -35.9 -19.7 64 357 A S H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 10,-0.3 0.917 108.1 49.9 -61.2 -44.7 41.9 -34.3 -22.6 65 358 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.898 111.4 49.1 -60.7 -41.3 42.4 -30.8 -21.2 66 359 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.908 111.4 49.6 -65.7 -40.3 46.1 -31.6 -20.8 67 360 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 3,-0.4 0.937 111.0 48.7 -61.8 -47.2 46.2 -32.8 -24.4 68 361 A L H ><5S+ 0 0 33 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.881 106.4 57.9 -59.6 -39.3 44.5 -29.7 -25.6 69 362 A R H 3<5S+ 0 0 33 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 106.6 49.2 -56.8 -36.7 47.0 -27.6 -23.6 70 363 A E T 3<5S- 0 0 44 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.306 126.8-100.6 -89.9 8.8 49.7 -29.3 -25.6 71 364 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.667 80.7 131.7 84.4 18.7 48.0 -28.6 -28.9 72 365 A L < - 0 0 33 -5,-2.7 2,-2.2 -6,-0.1 -1,-0.2 -0.913 56.2-139.0-110.0 124.8 46.6 -32.1 -29.4 73 366 A G + 0 0 76 -2,-0.5 -5,-0.1 -3,-0.1 -9,-0.1 -0.416 44.4 153.7 -79.4 67.5 42.9 -32.5 -30.3 74 367 A L - 0 0 8 -2,-2.2 -6,-0.2 -10,-0.3 -20,-0.2 -0.848 28.7-155.5-101.7 107.2 42.3 -35.5 -28.0 75 368 A P - 0 0 54 0, 0.0 -20,-2.8 0, 0.0 2,-0.2 -0.478 16.9-116.5 -81.9 151.8 38.6 -35.7 -27.0 76 369 A P B +d 55 0B 9 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.627 37.6 174.5 -80.4 145.0 37.4 -37.4 -23.8 77 370 A G + 0 0 5 -22,-3.5 -16,-0.1 1,-0.4 -17,-0.1 -0.074 48.1 3.3-119.6-136.9 35.2 -40.5 -24.3 78 371 A D - 0 0 14 -2,-0.1 -21,-2.7 -22,-0.1 -1,-0.4 -0.221 59.8-177.6 -54.0 138.1 33.7 -43.0 -21.8 79 372 A D >> - 0 0 12 -23,-0.2 4,-1.2 -3,-0.1 3,-1.0 -0.951 25.2-149.4-141.6 117.4 34.5 -42.3 -18.2 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.777 96.7 68.0 -57.3 -27.2 33.3 -44.6 -15.4 81 374 A M H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 99.5 49.0 -57.7 -42.5 33.0 -41.6 -13.1 82 375 A L H <> S+ 0 0 3 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.880 110.8 49.5 -66.8 -39.4 30.1 -40.3 -15.2 83 376 A L H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.933 114.1 45.6 -61.9 -46.9 28.3 -43.6 -15.1 84 377 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 7,-0.3 0.898 109.8 54.5 -65.1 -40.7 28.7 -43.9 -11.3 85 378 A Y H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 108.7 48.8 -61.6 -39.8 27.6 -40.2 -10.8 86 379 A L H < S+ 0 0 1 -4,-1.8 348,-0.6 1,-0.2 -1,-0.2 0.865 110.3 51.0 -68.0 -37.6 24.4 -40.9 -12.7 87 380 A L H < S- 0 0 18 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.886 139.3 -8.3 -63.7 -37.6 23.7 -44.0 -10.7 88 381 A D >< - 0 0 17 -4,-2.1 3,-2.4 -5,-0.1 -1,-0.3 -0.794 61.5-147.5-165.8 110.1 24.2 -42.1 -7.5 89 382 A P T 3 S+ 0 0 8 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.513 94.2 76.0 -69.9 -3.0 25.5 -38.5 -7.4 90 383 A S T 3 S+ 0 0 81 -6,-0.1 2,-1.4 187,-0.1 3,-0.3 0.565 72.5 94.8 -76.6 -9.1 27.2 -39.2 -4.0 91 384 A N < + 0 0 9 -3,-2.4 -3,-0.1 -7,-0.3 -1,-0.1 -0.697 47.0 136.3 -76.7 92.7 29.7 -41.0 -6.3 92 385 A T + 0 0 59 -2,-1.4 -1,-0.2 1,-0.1 182,-0.2 0.579 48.8 55.9-119.1 -17.5 32.0 -38.0 -6.6 93 386 A T > - 0 0 57 -3,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.926 69.3-132.2-124.2 147.0 35.6 -39.3 -6.3 94 387 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.829 110.8 60.2 -59.7 -31.6 37.7 -42.0 -8.1 95 388 A E H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 10,-0.3 0.947 111.4 37.2 -58.6 -50.8 38.6 -43.2 -4.6 96 389 A G H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.890 116.2 51.4 -70.5 -42.1 35.0 -43.9 -3.7 97 390 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.915 110.4 49.6 -64.6 -42.9 33.9 -45.2 -7.1 98 391 A A H X>S+ 0 0 0 -4,-2.3 5,-1.7 -5,-0.2 4,-1.6 0.946 112.5 47.4 -57.8 -52.0 36.8 -47.6 -7.2 99 392 A R H <5S+ 0 0 183 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.913 117.9 42.1 -55.6 -45.9 36.0 -49.0 -3.8 100 393 A R H <5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 122.1 35.2 -74.4 -35.3 32.3 -49.3 -4.5 101 394 A Y H <5S- 0 0 7 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.376 128.6 -56.6-114.7 4.9 32.4 -50.7 -8.1 102 395 A G T <5S+ 0 0 38 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.778 95.2 18.5 130.5 50.9 35.4 -53.0 -8.2 103 396 A G < - 0 0 34 -5,-1.7 2,-0.4 -4,-0.1 -1,-0.3 -0.991 69.4 -77.9 169.2-157.4 38.9 -51.9 -7.3 104 397 A E - 0 0 144 -2,-0.3 2,-0.8 7,-0.1 11,-0.1 -0.990 28.9-127.2-143.6 129.8 41.3 -49.4 -5.7 105 398 A W + 0 0 37 -2,-0.4 2,-0.1 -10,-0.3 7,-0.1 -0.680 43.7 169.7 -76.1 109.8 42.4 -46.0 -6.8 106 399 A T - 0 0 27 -2,-0.8 -1,-0.0 2,-0.2 -11,-0.0 -0.388 45.6-106.8-110.8-169.8 46.2 -46.2 -6.6 107 400 A E S S+ 0 0 138 -2,-0.1 2,-0.5 -90,-0.1 -2,-0.1 0.144 85.6 97.0-109.5 19.4 49.0 -43.9 -7.8 108 401 A E > - 0 0 56 1,-0.1 4,-2.1 -92,-0.0 -2,-0.2 -0.937 65.6-144.4-114.3 130.2 50.3 -46.1 -10.7 109 402 A A H > S+ 0 0 1 -2,-0.5 4,-2.4 1,-0.2 -77,-0.2 0.870 99.4 52.2 -61.6 -41.7 49.1 -45.3 -14.3 110 403 A G H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 110.8 48.0 -61.7 -41.7 48.9 -49.0 -15.4 111 404 A E H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 111.3 51.5 -67.1 -36.4 46.8 -49.9 -12.4 112 405 A R H X S+ 0 0 18 -4,-2.1 4,-2.5 2,-0.2 -54,-0.3 0.866 109.2 50.3 -66.8 -37.9 44.5 -46.9 -13.1 113 406 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -79,-0.2 0.942 112.9 45.3 -64.2 -47.7 44.1 -48.0 -16.7 114 407 A A H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.887 113.7 50.5 -62.6 -40.9 43.2 -51.6 -15.7 115 408 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.915 107.6 53.1 -61.6 -46.2 40.9 -50.2 -13.0 116 409 A S H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.924 108.6 52.0 -54.9 -45.5 39.2 -47.9 -15.6 117 410 A E H X S+ 0 0 49 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.943 114.5 38.4 -58.9 -53.0 38.6 -50.9 -17.8 118 411 A R H X S+ 0 0 120 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.852 114.0 54.3 -74.6 -32.7 36.9 -53.1 -15.3 119 412 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.913 108.1 51.2 -63.8 -41.7 34.9 -50.3 -13.6 120 413 A F H X S+ 0 0 22 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.947 110.0 49.8 -59.9 -47.0 33.5 -49.4 -17.0 121 414 A A H X S+ 0 0 65 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.946 115.5 42.3 -53.4 -53.6 32.5 -53.0 -17.5 122 415 A N H X S+ 0 0 65 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.949 117.3 45.4 -61.2 -50.5 30.8 -53.2 -14.1 123 416 A L H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.871 108.4 55.6 -66.2 -39.0 29.1 -49.8 -14.3 124 417 A W H < S+ 0 0 65 -4,-2.9 3,-0.3 -5,-0.3 -1,-0.2 0.891 107.6 52.1 -58.3 -39.1 27.9 -50.2 -17.9 125 418 A G H >< S+ 0 0 39 -4,-1.6 3,-1.4 -5,-0.3 -1,-0.2 0.876 104.9 53.9 -63.7 -39.5 26.2 -53.4 -16.7 126 419 A R H 3< S+ 0 0 122 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.749 104.0 57.6 -69.8 -21.3 24.5 -51.6 -13.8 127 420 A L T >< S+ 0 0 0 -4,-1.2 3,-0.9 -3,-0.3 2,-0.3 0.458 78.2 114.2 -88.6 0.1 23.1 -49.1 -16.3 128 421 A E T < S+ 0 0 141 -3,-1.4 3,-0.0 1,-0.2 -3,-0.0 -0.545 86.1 15.6 -70.7 131.1 21.3 -51.8 -18.3 129 422 A G T 3 S+ 0 0 79 -2,-0.3 2,-1.8 1,-0.1 -1,-0.2 0.097 97.9 107.1 88.8 -23.4 17.6 -51.4 -18.1 130 423 A E <> + 0 0 56 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 -0.509 43.8 168.5 -85.0 70.1 18.1 -47.8 -16.8 131 424 A E H > S+ 0 0 73 -2,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.840 70.2 48.5 -54.8 -41.7 16.9 -46.3 -20.1 132 425 A R H > S+ 0 0 121 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 112.8 46.4 -71.4 -41.6 16.7 -42.7 -18.7 133 426 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 111.6 53.2 -66.0 -38.5 20.1 -42.7 -17.1 134 427 A L H X S+ 0 0 27 -4,-2.6 4,-2.7 -7,-0.2 5,-0.3 0.899 107.9 51.3 -59.8 -41.6 21.6 -44.2 -20.3 135 428 A W H X S+ 0 0 97 -4,-2.1 4,-3.1 -5,-0.2 5,-0.5 0.931 109.5 49.4 -61.8 -45.1 20.0 -41.4 -22.3 136 429 A L H X>S+ 0 0 0 -4,-2.2 5,-2.5 295,-0.2 4,-1.5 0.887 112.9 48.1 -61.7 -39.1 21.5 -38.8 -19.9 137 430 A Y H <>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 -2,-0.2 0.973 120.2 34.9 -64.9 -54.0 24.9 -40.5 -20.3 138 431 A R H <5S+ 0 0 115 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.849 128.8 33.6 -70.3 -38.5 24.9 -40.8 -24.1 139 432 A E H <5S+ 0 0 97 -4,-3.1 -3,-0.2 -5,-0.3 -1,-0.2 0.677 134.7 10.5 -95.9 -19.3 23.0 -37.5 -24.9 140 433 A V T X5S+ 0 0 2 -4,-1.5 4,-2.6 -5,-0.5 -3,-0.2 0.679 122.2 38.2-123.1 -72.6 24.2 -35.2 -22.1 141 434 A E H >> S+ 0 0 40 0, 0.0 4,-1.5 0, 0.0 3,-0.8 0.896 111.4 59.0 -61.7 -37.9 29.2 -35.3 -25.0 144 437 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.3 5,-0.3 0.855 94.7 63.8 -60.8 -33.7 29.3 -32.5 -22.3 145 438 A S H 3X S+ 0 0 3 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.3 0.868 102.6 49.7 -60.6 -35.1 32.7 -33.7 -21.1 146 439 A A H + 0 0 63 145,-2.6 4,-1.8 -2,-0.4 5,-0.1 -0.623 36.7 172.7 -80.6 88.3 42.9 -7.4 -16.7 160 453 A V H > S+ 0 0 43 -2,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.899 71.9 54.3 -65.8 -46.1 45.8 -8.1 -14.3 161 454 A A H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 108.9 50.8 -55.3 -45.3 47.3 -4.6 -14.3 162 455 A Y H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 110.3 48.4 -57.7 -49.8 43.9 -3.2 -13.2 163 456 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.887 108.6 53.9 -61.9 -40.3 43.5 -5.7 -10.4 164 457 A R H X S+ 0 0 107 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.940 111.7 45.3 -58.1 -47.1 47.0 -5.0 -9.1 165 458 A A H X S+ 0 0 56 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.910 111.1 53.6 -61.6 -42.7 46.1 -1.3 -9.0 166 459 A L H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.885 101.0 60.4 -62.1 -40.9 42.8 -2.1 -7.3 167 460 A S H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 103.9 50.2 -52.0 -44.9 44.5 -4.1 -4.6 168 461 A L H X S+ 0 0 121 -4,-1.2 4,-1.7 -3,-0.3 -1,-0.2 0.912 111.3 47.8 -62.7 -44.6 46.5 -1.0 -3.5 169 462 A E H X S+ 0 0 138 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.909 113.5 47.4 -62.5 -43.3 43.4 1.1 -3.3 170 463 A V H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.878 106.9 58.2 -69.1 -35.9 41.5 -1.5 -1.3 171 464 A A H X S+ 0 0 40 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.898 104.7 50.4 -58.1 -43.7 44.4 -2.0 1.1 172 465 A E H X S+ 0 0 110 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.896 112.4 46.3 -64.4 -40.3 44.4 1.7 2.1 173 466 A E H X S+ 0 0 73 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.878 109.8 53.9 -70.1 -37.9 40.6 1.6 2.8 174 467 A I H X S+ 0 0 18 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.926 107.2 52.7 -58.8 -43.0 41.0 -1.7 4.7 175 468 A A H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.894 108.0 50.6 -60.2 -40.8 43.7 0.1 6.8 176 469 A R H X S+ 0 0 138 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.946 113.2 45.6 -61.3 -48.3 41.3 2.9 7.6 177 470 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 113.1 47.9 -62.0 -47.1 38.5 0.5 8.6 178 471 A E H X S+ 0 0 67 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.900 110.9 51.4 -66.3 -38.3 40.7 -1.7 10.8 179 472 A A H X S+ 0 0 56 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.903 111.7 47.7 -62.9 -43.0 42.3 1.3 12.6 180 473 A E H X S+ 0 0 68 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.915 111.0 51.2 -62.6 -44.4 38.8 2.7 13.3 181 474 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 6,-0.2 0.920 111.0 48.3 -59.6 -43.9 37.7 -0.7 14.6 182 475 A F H X>S+ 0 0 42 -4,-2.6 4,-1.5 2,-0.2 5,-1.3 0.897 110.4 51.1 -64.9 -41.1 40.7 -0.9 16.9 183 476 A R H <5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.929 111.5 47.7 -59.1 -45.8 40.1 2.6 18.2 184 477 A L H <5S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.812 112.3 48.9 -67.7 -31.6 36.5 1.7 19.0 185 478 A A H <5S- 0 0 12 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.732 110.1-126.4 -76.2 -23.7 37.5 -1.5 20.7 186 479 A G T <5S+ 0 0 64 -4,-1.5 -3,-0.2 -3,-0.2 -2,-0.1 0.417 83.1 40.8 90.5 0.5 40.1 0.5 22.7 187 480 A H S - 0 0 79 -2,-0.3 3,-2.0 1,-0.2 7,-0.3 -0.701 43.0-171.2 -81.9 101.8 43.4 -9.8 15.0 191 484 A L T 3 S+ 0 0 8 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.681 83.4 64.8 -69.6 -16.3 40.2 -8.6 13.2 192 485 A N T 3 S+ 0 0 111 -3,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.577 86.2 86.6 -77.6 -10.4 40.5 -11.6 10.9 193 486 A S <> - 0 0 28 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 -0.829 59.7-167.9 -94.6 111.7 39.8 -13.8 13.9 194 487 A R H > S+ 0 0 66 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.759 89.8 58.9 -68.5 -22.3 36.1 -14.2 14.6 195 488 A D H > S+ 0 0 48 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.914 108.7 42.7 -70.2 -44.1 37.1 -15.7 18.0 196 489 A Q H > S+ 0 0 58 -6,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.918 114.7 51.3 -66.2 -42.5 38.9 -12.6 19.0 197 490 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -7,-0.3 5,-0.2 0.842 104.0 57.7 -63.7 -36.5 36.1 -10.4 17.6 198 491 A E H X>S+ 0 0 18 -4,-1.9 4,-2.5 1,-0.2 5,-0.5 0.910 107.4 47.8 -59.9 -42.6 33.4 -12.4 19.5 199 492 A R H X>S+ 0 0 123 -4,-1.3 5,-2.2 1,-0.2 4,-1.4 0.876 112.3 49.4 -68.4 -37.0 35.1 -11.5 22.8 200 493 A V H <>S+ 0 0 2 -4,-1.7 5,-2.9 3,-0.2 -2,-0.2 0.942 117.5 39.0 -65.6 -48.3 35.4 -7.9 21.9 201 494 A L H <5S+ 0 0 0 -4,-2.6 6,-0.9 3,-0.2 -2,-0.2 0.930 129.5 25.6 -68.4 -49.0 31.8 -7.5 20.8 202 495 A F H <5S+ 0 0 18 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.731 132.8 28.8 -98.2 -25.4 30.0 -9.6 23.4 203 496 A D T < - 0 0 37 5,-2.6 4,-0.8 -2,-0.3 7,-0.0 -0.419 28.9-120.2 -82.5 158.4 27.4 -21.1 15.5 214 507 A E T 4 S+ 0 0 168 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.946 96.7 26.4 -67.7 -56.9 26.5 -24.6 14.2 215 508 A K T 4 S+ 0 0 192 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.823 135.0 21.3 -83.8 -35.6 29.3 -27.0 15.2 216 509 A T T 4 S- 0 0 101 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.425 92.6-127.2-118.1 -2.2 30.9 -25.4 18.3 217 510 A G < + 0 0 39 -4,-0.8 2,-0.1 1,-0.2 -3,-0.1 0.809 49.2 157.3 61.9 33.6 28.1 -23.1 19.6 218 511 A K - 0 0 73 1,-0.1 -5,-2.6 -6,-0.0 2,-0.5 -0.436 57.7 -86.2 -78.4 163.4 30.1 -20.0 19.8 219 512 A R B -H 212 0E 58 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.637 55.7-120.8 -72.0 119.9 28.4 -16.6 19.8 220 513 A S - 0 0 18 -9,-2.7 -10,-0.3 -2,-0.5 -9,-0.3 -0.287 29.4-174.6 -69.0 144.7 28.0 -15.8 16.1 221 514 A T + 0 0 6 -12,-0.1 -1,-0.1 -11,-0.1 5,-0.1 -0.046 38.8 144.3-119.7 26.5 29.5 -12.7 14.4 222 515 A S > - 0 0 48 1,-0.1 4,-2.5 3,-0.1 3,-0.3 -0.120 67.2-102.3 -64.6 164.6 27.9 -13.5 11.1 223 516 A A H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.846 122.5 55.6 -56.4 -37.7 26.6 -10.8 8.7 224 517 A A H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.899 109.9 45.7 -64.2 -40.6 23.0 -11.5 9.8 225 518 A V H > S+ 0 0 10 -3,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.913 113.9 48.1 -67.4 -43.2 23.9 -10.9 13.4 226 519 A L H < S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.878 106.7 57.2 -67.8 -37.4 25.9 -7.8 12.7 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