==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-JUL-11 3T3F . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID . 533 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 68.5 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 . 52 9.8 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 . 39 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 1 1 2 3 3 2 0 0 1 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 . 2 2 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 0 3 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 1 293 A A 0 0 37 0, 0.0 39,-0.2 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 16.2 45.7 -56.8 -18.0 2 294 A L + 0 0 164 37,-0.1 2,-0.5 2,-0.1 37,-0.2 0.850 360.0 74.7 -60.4 -37.9 48.2 -59.2 -16.2 3 295 A E E S-a 39 0A 115 35,-1.6 37,-2.2 1,-0.0 2,-0.4 -0.671 78.6-135.2 -87.4 121.3 50.5 -59.6 -19.2 4 296 A E E -a 40 0A 115 -2,-0.5 37,-0.2 35,-0.2 -2,-0.1 -0.582 27.4-178.4 -72.2 125.4 52.8 -56.6 -20.1 5 297 A A E -a 41 0A 10 35,-2.7 37,-0.5 -2,-0.4 34,-0.0 -0.902 33.4 -91.2-121.2 154.3 52.9 -55.9 -23.8 6 298 A P - 0 0 111 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.238 59.8 -72.6 -62.1 149.5 54.9 -53.3 -25.6 7 299 A W S S+ 0 0 39 35,-0.5 35,-0.1 2,-0.0 36,-0.0 -0.524 98.4 62.9 -66.7 147.8 53.5 -49.8 -26.3 8 300 A P S S- 0 0 80 0, 0.0 34,-0.1 0, 0.0 25,-0.0 0.605 71.6-144.4 -91.4 164.4 51.3 -48.9 -28.1 9 301 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.317 27.0 -98.2 -78.0 163.2 48.0 -50.5 -27.2 10 302 A P > - 0 0 50 0, 0.0 3,-1.1 0, 0.0 25,-0.0 -0.402 56.0 -80.7 -75.5 162.8 45.3 -51.6 -29.7 11 303 A E T 3 S+ 0 0 169 1,-0.2 3,-0.1 -2,-0.1 42,-0.0 -0.256 115.3 39.2 -67.1 155.2 42.5 -49.2 -30.3 12 304 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.2 43,-0.1 0, 0.0 0.361 84.1 143.5 88.3 -4.1 39.6 -49.2 -27.8 13 305 A A < - 0 0 12 -3,-1.1 2,-0.4 23,-0.1 44,-0.3 -0.284 51.9-118.0 -70.5 154.3 42.1 -49.7 -24.9 14 306 A F E -B 35 0A 16 21,-2.6 21,-2.4 -3,-0.1 2,-0.3 -0.776 28.7-139.1 -93.1 138.1 41.5 -48.0 -21.5 15 307 A V E -B 34 0A 2 42,-3.1 44,-0.4 -2,-0.4 2,-0.3 -0.654 16.8-172.4 -99.4 150.5 44.1 -45.5 -20.4 16 308 A G E +B 33 0A 2 17,-2.1 17,-2.5 -2,-0.3 2,-0.3 -0.956 14.6 173.0-130.4 152.4 45.6 -44.9 -17.0 17 309 A F E -B 32 0A 9 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.990 24.5-140.5-159.5 154.4 47.9 -42.0 -16.2 18 310 A V E -B 31 0A 14 13,-2.1 12,-2.1 -2,-0.3 13,-1.3 -0.991 16.5-163.1-125.3 127.1 49.6 -40.3 -13.3 19 311 A L E -B 29 0A 27 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.836 26.8-130.0-109.4 147.7 49.9 -36.5 -13.0 20 312 A S S S+ 0 0 66 8,-2.2 2,-0.3 -2,-0.3 9,-0.1 0.726 95.9 9.3 -66.4 -21.9 52.3 -34.6 -10.8 21 313 A R S S- 0 0 110 7,-0.3 -1,-0.1 2,-0.1 6,-0.1 -0.981 81.6-106.0-154.7 163.8 49.4 -32.6 -9.6 22 314 A K S S+ 0 0 122 -2,-0.3 5,-0.1 4,-0.1 -1,-0.1 0.795 93.9 84.1 -65.5 -32.0 45.6 -32.6 -9.9 23 315 A E >> - 0 0 24 1,-0.2 3,-1.5 3,-0.1 4,-1.2 -0.609 64.8-157.3 -80.7 112.9 45.2 -29.7 -12.3 24 316 A P T 34 S+ 0 0 1 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.818 90.6 58.2 -63.5 -28.8 45.7 -30.9 -15.8 25 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.737 118.7 33.0 -67.7 -19.2 46.6 -27.5 -17.2 26 318 A W T <4 S+ 0 0 71 -3,-1.5 -1,-0.2 -5,-0.1 2,-0.1 0.503 97.7 110.8-111.2 -8.8 49.5 -27.4 -14.7 27 319 A A < - 0 0 2 -4,-1.2 2,-0.4 -3,-0.2 -5,-0.0 -0.380 59.5-137.0 -81.7 145.1 50.5 -31.1 -14.5 28 320 A D - 0 0 74 -2,-0.1 -8,-2.2 0, 0.0 2,-1.1 -0.820 29.1-125.2 -83.2 134.7 53.5 -32.9 -15.6 29 321 A L E +B 19 0A 3 -2,-0.4 18,-0.2 -10,-0.2 -10,-0.2 -0.758 34.8 176.9 -83.9 101.6 52.5 -36.2 -17.2 30 322 A L E - 0 0 92 -12,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.856 59.4 -1.2 -79.2 -38.9 54.5 -38.7 -15.1 31 323 A A E -B 18 0A 33 -13,-1.3 -13,-2.1 14,-0.1 2,-0.3 -0.995 55.0-166.9-155.5 155.6 53.3 -41.9 -16.6 32 324 A L E +B 17 0A 3 11,-0.4 11,-3.0 -2,-0.3 2,-0.3 -0.997 14.8 161.5-147.4 132.5 50.9 -43.3 -19.2 33 325 A A E -BC 16 42A 0 -17,-2.5 -17,-2.1 -2,-0.3 2,-0.3 -0.928 18.2-152.6-143.8 167.6 49.6 -46.9 -19.8 34 326 A A E -BC 15 41A 0 7,-2.3 7,-4.2 -2,-0.3 2,-0.4 -0.989 6.3-158.0-145.6 152.5 46.7 -48.6 -21.5 35 327 A A E +BC 14 40A 0 -21,-2.4 -21,-2.6 -2,-0.3 2,-0.3 -0.990 21.0 146.7-133.4 137.4 44.9 -51.9 -21.0 36 328 A R E > + C 0 39A 121 3,-2.4 3,-1.2 -2,-0.4 -23,-0.1 -0.872 63.4 2.2-166.2 138.4 42.9 -54.2 -23.2 37 329 A G T 3 S- 0 0 60 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.897 129.3 -45.7 56.1 51.7 42.2 -57.9 -23.6 38 330 A G T 3 S+ 0 0 39 1,-0.2 -35,-1.6 77,-0.1 2,-0.4 0.585 118.6 107.8 70.9 10.6 44.4 -59.2 -20.7 39 331 A R E < -aC 3 36A 128 -3,-1.2 -3,-2.4 -37,-0.2 2,-0.4 -0.939 50.9-161.4-121.6 145.2 47.2 -56.9 -21.7 40 332 A V E -aC 4 35A 4 -37,-2.2 -35,-2.7 -2,-0.4 2,-0.5 -0.985 8.4-160.7-119.8 134.4 48.7 -53.8 -20.1 41 333 A H E -aC 5 34A 8 -7,-4.2 -7,-2.3 -2,-0.4 2,-0.4 -0.961 2.2-162.7-119.8 117.4 50.9 -51.4 -22.2 42 334 A R E - C 0 33A 93 -37,-0.5 -35,-0.5 -2,-0.5 -9,-0.2 -0.834 18.7-129.4 -99.9 132.3 53.1 -49.0 -20.4 43 335 A A - 0 0 14 -11,-3.0 -11,-0.4 -2,-0.4 4,-0.1 -0.671 6.2-155.2 -83.4 126.6 54.5 -46.0 -22.4 44 336 A P S S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.860 94.2 28.4 -66.1 -33.1 58.3 -45.6 -22.1 45 337 A E S > S- 0 0 124 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.861 74.9-166.2-130.6 95.6 57.9 -41.8 -23.0 46 338 A P H > S+ 0 0 24 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.858 84.2 49.9 -55.8 -46.7 54.5 -40.5 -21.8 47 339 A Y H > S+ 0 0 70 -18,-0.2 4,-0.6 1,-0.2 3,-0.5 0.960 117.6 40.4 -59.6 -49.9 54.4 -37.2 -23.7 48 340 A K H >4 S+ 0 0 147 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.872 110.8 58.6 -64.3 -37.6 55.4 -38.8 -27.0 49 341 A A H >< S+ 0 0 4 -4,-2.9 3,-2.0 1,-0.2 4,-0.4 0.802 91.2 71.7 -60.9 -28.7 53.1 -41.8 -26.3 50 342 A L H >< S+ 0 0 3 -4,-1.6 3,-1.2 -3,-0.5 -1,-0.2 0.845 87.4 64.0 -57.3 -35.1 50.2 -39.4 -26.1 51 343 A R T << S+ 0 0 125 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.682 93.5 62.6 -62.2 -19.6 50.4 -38.9 -29.8 52 344 A D T < S+ 0 0 75 -3,-2.0 -1,-0.2 -4,-0.3 2,-0.2 0.678 84.5 93.1 -81.5 -17.5 49.5 -42.6 -30.3 53 345 A L < - 0 0 25 -3,-1.2 3,-0.1 -4,-0.4 -42,-0.0 -0.534 53.4-164.8 -83.3 142.9 46.0 -42.4 -28.8 54 346 A K S S- 0 0 155 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.692 79.3 -6.3 -91.6 -24.5 42.9 -41.7 -30.8 55 347 A E S S- 0 0 75 20,-0.2 2,-0.8 2,-0.1 -1,-0.4 -0.978 70.7-106.1-163.3 159.1 40.9 -40.8 -27.6 56 348 A A B +d 77 0B 0 20,-2.7 22,-3.4 -2,-0.3 2,-0.5 -0.842 42.2 175.3 -94.0 106.8 41.2 -40.8 -23.8 57 349 A R + 0 0 40 -2,-0.8 -42,-3.1 -44,-0.3 2,-0.3 -0.947 38.5 45.5-119.5 112.8 39.0 -43.7 -22.6 58 350 A G S > S- 0 0 0 21,-2.5 3,-1.4 -2,-0.5 24,-0.1 -0.948 93.0 -11.9 149.9-173.0 39.1 -44.4 -18.9 59 351 A L T 3 S+ 0 0 4 -44,-0.4 58,-0.1 54,-0.3 21,-0.0 -0.333 129.0 3.4 -59.8 135.2 38.8 -42.9 -15.4 60 352 A L T >> S+ 0 0 49 1,-0.1 4,-1.2 3,-0.1 3,-0.9 0.834 80.6 165.4 57.5 34.7 39.2 -39.1 -15.4 61 353 A A H <> + 0 0 1 -3,-1.4 4,-2.4 1,-0.2 3,-0.2 0.855 67.4 59.7 -47.7 -47.2 39.3 -39.1 -19.2 62 354 A K H 3> S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.868 99.0 57.8 -54.0 -39.4 38.7 -35.4 -19.4 63 355 A D H <> S+ 0 0 11 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.926 109.1 44.3 -58.5 -45.1 41.8 -34.6 -17.4 64 356 A L H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.2 -1,-0.2 0.909 112.5 53.2 -66.8 -38.6 44.0 -36.4 -19.9 65 357 A S H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 10,-0.3 0.916 107.8 50.4 -60.4 -44.9 42.2 -34.8 -22.8 66 358 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.923 110.7 49.0 -58.9 -44.4 42.8 -31.3 -21.3 67 359 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.886 111.9 49.3 -64.1 -38.3 46.5 -32.0 -20.9 68 360 A A H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 3,-0.3 0.908 109.8 50.3 -66.7 -43.5 46.7 -33.3 -24.4 69 361 A L H ><5S+ 0 0 32 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.899 106.1 57.4 -59.3 -41.0 44.9 -30.1 -25.7 70 362 A R H 3<5S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 106.8 48.8 -53.9 -37.5 47.4 -28.1 -23.7 71 363 A E T 3<5S- 0 0 46 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.263 127.3-101.6 -92.2 11.4 50.1 -29.8 -25.7 72 364 A G T < 5S+ 0 0 67 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.742 78.2 133.6 78.8 26.9 48.3 -29.1 -29.0 73 365 A L < - 0 0 38 -5,-2.7 2,-2.0 -8,-0.2 -1,-0.2 -0.924 56.1-137.1-115.6 133.0 46.8 -32.5 -29.6 74 366 A G + 0 0 76 -2,-0.5 -5,-0.1 -5,-0.1 -9,-0.1 -0.386 47.4 151.1 -84.6 62.0 43.2 -33.0 -30.6 75 367 A L - 0 0 8 -2,-2.0 -6,-0.2 -10,-0.3 -20,-0.2 -0.834 29.1-158.2 -99.0 109.5 42.6 -35.9 -28.2 76 368 A P - 0 0 52 0, 0.0 -20,-2.7 0, 0.0 2,-0.2 -0.549 19.0-113.8 -86.2 153.8 38.9 -36.1 -27.0 77 369 A P B +d 56 0B 10 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.580 38.0 176.6 -78.7 147.8 37.7 -37.9 -23.9 78 370 A G + 0 0 4 -22,-3.4 -16,-0.1 1,-0.4 -20,-0.1 -0.112 48.6 0.6-120.1-138.2 35.5 -41.0 -24.4 79 371 A D - 0 0 14 -2,-0.1 -21,-2.5 -22,-0.1 -1,-0.4 -0.191 59.2-176.0 -52.5 143.0 34.0 -43.4 -22.0 80 372 A D >> - 0 0 13 -23,-0.2 3,-1.4 -3,-0.1 4,-1.2 -0.935 24.7-148.4-143.6 114.4 34.7 -42.8 -18.3 81 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.785 97.5 67.4 -56.9 -23.7 33.5 -45.2 -15.6 82 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.870 99.4 49.6 -60.6 -38.3 33.2 -42.2 -13.3 83 375 A L H <> S+ 0 0 3 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.864 110.3 49.6 -69.3 -37.9 30.4 -40.8 -15.4 84 376 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.946 114.0 45.4 -61.5 -50.4 28.6 -44.2 -15.4 85 377 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 7,-0.3 0.902 110.2 54.2 -62.5 -40.6 28.9 -44.4 -11.6 86 378 A Y H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.834 109.0 48.6 -66.3 -33.0 27.8 -40.8 -11.1 87 379 A L H < S+ 0 0 1 -4,-1.6 342,-0.6 1,-0.2 -1,-0.2 0.860 111.0 50.3 -73.3 -36.1 24.6 -41.4 -13.1 88 380 A L H < S- 0 0 22 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.893 139.8 -7.7 -66.3 -38.2 23.9 -44.6 -11.1 89 381 A D >< - 0 0 21 -4,-2.5 3,-2.6 -5,-0.2 -1,-0.3 -0.803 61.4-149.5-161.5 110.2 24.4 -42.7 -7.8 90 382 A P T 3 S+ 0 0 7 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.500 93.1 77.4 -72.5 0.9 25.7 -39.1 -7.7 91 383 A S T 3 S+ 0 0 80 -6,-0.1 2,-1.4 187,-0.1 3,-0.3 0.588 72.8 94.0 -75.6 -9.4 27.3 -39.9 -4.3 92 384 A N < + 0 0 8 -3,-2.6 -3,-0.1 -7,-0.3 -1,-0.1 -0.685 46.8 137.7 -76.8 93.1 29.8 -41.6 -6.5 93 385 A T + 0 0 61 -2,-1.4 -1,-0.2 1,-0.1 182,-0.2 0.615 49.6 52.4-118.4 -19.5 32.2 -38.6 -6.8 94 386 A T > - 0 0 55 -3,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.924 69.4-130.6-123.3 149.6 35.8 -40.0 -6.5 95 387 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.877 111.1 60.0 -60.1 -35.5 37.8 -42.7 -8.2 96 388 A E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 10,-0.2 0.964 111.4 36.8 -52.5 -55.6 38.7 -43.9 -4.7 97 389 A G H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 116.0 52.8 -69.5 -39.0 35.1 -44.5 -3.7 98 390 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.908 109.4 49.8 -65.8 -39.4 34.0 -45.8 -7.1 99 391 A A H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-1.9 0.954 111.0 48.3 -62.1 -51.1 36.9 -48.4 -7.1 100 392 A R H <5S+ 0 0 165 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.892 117.0 44.0 -56.9 -38.5 36.0 -49.7 -3.7 101 393 A R H <5S+ 0 0 128 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.886 121.6 33.9 -76.1 -38.7 32.4 -49.9 -4.6 102 394 A Y H <5S- 0 0 15 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.317 126.0 -69.2-113.9 6.2 32.6 -51.5 -8.1 103 395 A G T <5S+ 0 0 48 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.799 91.9 48.3 124.1 38.3 35.6 -53.8 -7.8 104 396 A G < - 0 0 16 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.901 67.1 -96.7-166.4-163.4 39.2 -52.5 -7.6 105 397 A E - 0 0 122 -2,-0.3 2,-0.8 7,-0.1 11,-0.1 -0.998 26.5-128.1-137.9 129.5 41.6 -50.1 -5.8 106 398 A W + 0 0 40 -2,-0.4 2,-0.1 -10,-0.2 7,-0.1 -0.704 41.9 174.1 -78.5 109.5 42.7 -46.7 -7.0 107 399 A T - 0 0 26 -2,-0.8 -11,-0.0 2,-0.2 -1,-0.0 -0.336 42.7-109.7-106.4-172.3 46.5 -46.8 -6.9 108 400 A E S S+ 0 0 143 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 -0.011 85.6 93.8-110.4 28.7 49.3 -44.4 -7.9 109 401 A E > - 0 0 59 1,-0.1 4,-2.1 -92,-0.1 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A E S < S+ 0 0 91 -3,-0.7 3,-0.1 1,-0.2 -3,-0.0 -0.793 85.7 26.6 -87.8 127.9 22.2 -51.5 -18.9 130 422 A G S S+ 0 0 54 -2,-0.5 2,-1.3 1,-0.0 -1,-0.2 0.055 96.4 98.2 101.6 -23.7 18.5 -51.7 -18.5 131 423 A E > + 0 0 57 -3,-0.3 4,-2.9 1,-0.2 3,-0.3 -0.642 53.2 175.2 -91.5 75.1 18.5 -48.2 -17.1 132 424 A E H > S+ 0 0 123 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.819 72.4 48.9 -56.2 -37.5 17.4 -46.7 -20.4 133 425 A R H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 113.0 45.7 -74.0 -38.4 17.0 -43.1 -19.2 134 426 A L H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.895 112.2 53.9 -68.7 -37.9 20.4 -43.0 -17.4 135 427 A L H X S+ 0 0 22 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.896 108.1 49.0 -59.5 -41.9 21.8 -44.6 -20.6 136 428 A W H X>S+ 0 0 99 -4,-2.0 4,-3.0 -5,-0.2 5,-0.5 0.930 110.6 50.9 -63.4 -44.3 20.3 -41.8 -22.6 137 429 A L H X>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-1.4 0.902 112.0 48.1 -60.7 -38.5 21.8 -39.3 -20.2 138 430 A Y H <>S+ 0 0 0 -4,-2.5 5,-2.6 3,-0.2 -2,-0.2 0.972 119.9 35.4 -66.2 -51.2 25.2 -40.9 -20.5 139 431 A R H <5S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.860 128.2 32.9 -71.2 -39.1 25.2 -41.1 -24.4 140 432 A E H <5S+ 0 0 99 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.641 134.2 13.0 -99.0 -15.9 23.4 -37.8 -25.2 141 433 A V T X> S+ 0 0 39 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.903 111.4 58.4 -64.9 -39.3 29.6 -35.6 -25.1 145 437 A L H 3X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.875 95.9 63.8 -54.2 -40.2 29.7 -32.8 -22.5 146 438 A S H 3X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.867 102.4 48.9 -55.8 -37.4 33.0 -34.1 -21.2 147 439 A A H + 0 0 61 145,-3.1 4,-2.0 -2,-0.4 5,-0.2 -0.614 35.5 174.0 -79.6 89.6 43.3 -8.0 -16.7 161 453 A V H > S+ 0 0 46 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.896 73.1 52.2 -67.0 -44.6 46.3 -8.6 -14.4 162 454 A A H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 110.3 51.5 -59.4 -40.7 47.7 -5.0 -14.4 163 455 A Y H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.926 109.9 46.8 -61.6 -48.6 44.2 -3.8 -13.4 164 456 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.871 109.2 56.2 -65.5 -34.5 43.8 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1.1 2.6 175 467 A I H X S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.913 106.4 52.2 -60.3 -41.5 41.7 -2.1 4.7 176 468 A A H X S+ 0 0 48 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 108.3 50.2 -62.4 -43.7 44.4 -0.2 6.6 177 469 A R H X S+ 0 0 139 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.930 113.5 46.4 -58.9 -44.1 42.0 2.7 7.3 178 470 A L H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.902 112.2 48.7 -64.5 -43.9 39.3 0.2 8.5 179 471 A E H X S+ 0 0 67 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.926 111.1 51.2 -61.7 -46.7 41.7 -1.8 10.8 180 472 A A H X S+ 0 0 58 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.912 111.5 46.6 -59.4 -44.3 43.0 1.3 12.3 181 473 A E H X S+ 0 0 60 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.913 112.0 50.9 -64.7 -41.8 39.5 2.6 13.1 182 474 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 6,-0.2 0.913 110.9 48.7 -62.9 -42.6 38.5 -0.8 14.5 183 475 A F H X>S+ 0 0 47 -4,-2.7 4,-1.6 2,-0.2 5,-1.1 0.886 108.9 52.4 -67.4 -39.1 41.5 -0.9 16.8 184 476 A R H <5S+ 0 0 150 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.951 113.4 45.1 -59.8 -44.6 40.9 2.6 18.0 185 477 A L H <5S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.862 112.5 49.1 -68.8 -36.2 37.3 1.6 18.9 186 478 A A H <5S- 0 0 11 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.748 110.0-126.8 -72.4 -22.6 38.4 -1.7 20.5 187 479 A G T <5S+ 0 0 63 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.445 83.2 40.5 89.3 3.8 40.9 0.3 22.5 188 480 A H S - 0 0 78 -2,-0.3 3,-1.8 1,-0.2 7,-0.3 -0.710 41.6-169.9 -83.1 101.9 43.9 -10.0 14.8 192 484 A L T 3 S+ 0 0 6 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.693 84.1 61.5 -66.2 -17.8 40.8 -8.8 13.0 193 485 A N T 3 S+ 0 0 109 -3,-0.1 2,-0.8 1,-0.0 -1,-0.3 0.549 85.8 88.5 -81.7 -10.1 40.9 -11.9 10.8 194 486 A S <> - 0 0 29 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 -0.824 60.0-165.8 -91.3 112.4 40.5 -14.1 13.9 195 487 A R H > S+ 0 0 65 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.796 90.6 57.9 -66.9 -24.3 36.8 -14.7 14.6 196 488 A D H > S+ 0 0 53 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 109.5 42.6 -67.8 -44.9 37.8 -16.0 18.1 197 489 A Q H > S+ 0 0 70 -6,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.922 114.7 51.2 -66.9 -42.4 39.6 -12.8 18.9 198 490 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -7,-0.3 5,-0.3 0.898 105.0 57.2 -60.7 -41.3 36.7 -10.8 17.5 199 491 A E H X>S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 5,-0.5 0.904 107.8 46.9 -56.4 -43.2 34.2 -12.7 19.5 200 492 A R H X>S+ 0 0 120 -4,-1.5 5,-2.5 3,-0.2 4,-2.3 0.929 112.9 49.2 -66.2 -44.3 35.9 -11.7 22.8 201 493 A V H <>S+ 0 0 2 -4,-2.0 5,-2.6 3,-0.2 6,-0.2 0.948 117.3 39.4 -60.7 -50.1 36.2 -8.1 21.8 202 494 A L H <5S+ 0 0 0 -4,-2.8 6,-2.5 3,-0.2 -2,-0.2 0.936 130.8 24.4 -64.9 -48.1 32.5 -7.8 20.7 203 495 A F H <5S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.752 132.1 29.7-100.0 -30.0 30.9 -9.8 23.5 204 496 A D T < - 0 0 41 5,-2.6 4,-0.9 -2,-0.3 -1,-0.0 -0.392 29.6-120.0 -80.0 157.9 28.1 -21.6 15.9 215 507 A E T 4 S+ 0 0 176 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.944 97.0 25.2 -67.8 -57.0 27.2 -25.1 14.8 216 508 A K T 4 S+ 0 0 197 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.832 134.9 22.9 -82.0 -36.3 30.0 -27.5 15.8 217 509 A T T 4 S- 0 0 103 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.487 93.0-125.6-116.5 -6.5 31.6 -25.8 18.7 218 510 A G < + 0 0 34 -4,-0.9 -3,-0.1 1,-0.2 2,-0.1 0.798 49.6 157.1 71.9 29.8 28.9 -23.5 20.1 219 511 A K - 0 0 70 1,-0.1 -5,-2.6 -6,-0.0 2,-0.6 -0.425 57.4 -90.2 -79.5 161.1 30.9 -20.2 20.1 220 512 A R B -H 213 0D 57 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.678 55.2-120.2 -71.7 118.9 29.1 -16.9 20.0 221 513 A S - 0 0 19 -9,-2.6 -10,-0.3 -2,-0.6 -9,-0.3 -0.250 28.6-172.3 -65.3 144.6 28.7 -16.3 16.2 222 514 A T + 0 0 6 -12,-0.1 -1,-0.1 -11,-0.1 5,-0.1 -0.029 38.3 144.0-118.3 26.2 30.2 -13.2 14.5 223 515 A S > - 0 0 48 1,-0.1 4,-2.6 3,-0.1 5,-0.2 -0.096 68.0-102.4 -63.1 165.3 28.6 -13.9 11.1 224 516 A A H > S+ 0 0 49 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.910 123.0 56.2 -54.0 -44.8 27.3 -11.2 8.8 225 517 A A H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 110.1 44.3 -55.4 -45.0 23.8 -11.9 10.0 226 518 A V H > S+ 0 0 8 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.937 115.1 48.1 -64.2 -47.4 24.7 -11.4 13.6 227 519 A L H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.905 107.9 54.8 -61.8 -44.7 26.7 -8.2 12.8 228 520 A 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108.6 58.7 -65.2 -35.5 10.8 -8.1 -10.2 349 641 A E H > S+ 0 0 84 -4,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.896 107.7 43.0 -63.2 -44.7 7.3 -8.3 -8.6 350 642 A T H X S+ 0 0 30 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.795 109.1 64.3 -69.8 -28.0 8.5 -9.3 -5.1 351 643 A A H < S+ 0 0 0 -4,-1.3 3,-0.3 -5,-0.2 -2,-0.2 0.960 101.1 44.3 -60.8 -58.2 11.3 -6.7 -5.4 352 644 A S H < S+ 0 0 93 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.863 112.4 54.3 -57.5 -37.9 9.1 -3.5 -5.6 353 645 A W H < 0 0 178 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.882 360.0 360.0 -61.0 -38.5 7.0 -4.9 -2.7 354 646 A M < 0 0 87 -4,-1.7 -3,-0.1 -3,-0.3 6,-0.1 0.396 360.0 360.0 -99.0 360.0 10.2 -5.3 -0.7 355 ! 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 0.0 356 654 A V 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 102.5 13.4 -1.8 -9.0 357 655 A D > - 0 0 64 -6,-0.1 4,-1.3 1,-0.0 5,-0.2 -0.315 360.0 -87.8 -90.9-179.1 16.9 -2.0 -10.3 358 656 A P H > S+ 0 0 108 0, 0.0 4,-1.2 0, 0.0 -1,-0.0 0.767 125.3 58.5 -62.0 -24.9 19.2 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