==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 29-APR-11 3RR8 . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.7 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 . 2 0.4 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 . 27 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 0 1 1 4 3 2 0 0 1 1 0 1 1 2 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 3 1 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 2 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 1 293 A A 0 0 20 0, 0.0 2,-1.7 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0-174.5 45.8 -56.3 -17.3 2 294 A L + 0 0 150 37,-0.2 2,-0.5 1,-0.0 37,-0.1 -0.326 360.0 81.5 62.4 -83.8 48.6 -58.6 -16.1 3 295 A E S S- 0 0 117 -2,-1.7 37,-2.0 35,-0.4 2,-0.4 -0.403 77.0-138.7 -64.9 108.0 50.5 -59.3 -19.4 4 296 A E B -a 40 0A 123 -2,-0.5 37,-0.2 35,-0.2 -1,-0.1 -0.534 25.7-175.5 -68.1 119.8 52.8 -56.3 -20.1 5 297 A A - 0 0 14 35,-3.0 37,-0.4 -2,-0.4 34,-0.0 -0.968 28.5 -99.3-123.6 138.9 52.7 -55.5 -23.8 6 298 A P - 0 0 113 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.084 54.3 -75.8 -52.8 143.0 54.8 -52.9 -25.6 7 299 A W S S+ 0 0 37 35,-0.4 35,-0.0 2,-0.1 33,-0.0 -0.494 95.3 68.1 -70.8 150.1 53.5 -49.4 -26.5 8 300 A P S S- 0 0 82 0, 0.0 34,-0.1 0, 0.0 3,-0.1 0.540 76.0-137.1 -81.4 168.3 51.6 -48.3 -28.5 9 301 A P - 0 0 23 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.485 25.4 -96.7 -83.9 157.0 48.2 -49.7 -27.4 10 302 A P > - 0 0 56 0, 0.0 3,-0.9 0, 0.0 25,-0.1 -0.457 58.9 -82.3 -68.4 149.8 45.6 -51.2 -29.8 11 303 A E T 3 S+ 0 0 133 1,-0.2 42,-0.0 -2,-0.1 0, 0.0 -0.245 114.8 31.4 -59.1 137.1 42.9 -48.6 -30.7 12 304 A G T 3 S+ 0 0 33 1,-0.2 -1,-0.2 43,-0.1 2,-0.1 0.604 84.1 148.6 94.0 15.1 40.1 -48.3 -28.2 13 305 A A < - 0 0 11 -3,-0.9 2,-0.4 23,-0.1 44,-0.3 -0.395 51.3-107.2 -81.5 158.0 42.1 -49.0 -25.1 14 306 A F E -B 35 0A 17 21,-2.9 21,-2.1 -2,-0.1 2,-0.3 -0.734 34.3-139.7 -87.7 129.7 41.6 -47.6 -21.6 15 307 A V E -B 34 0A 5 42,-2.4 2,-0.4 -2,-0.4 19,-0.3 -0.667 16.1-170.8 -94.1 141.4 44.1 -45.0 -20.5 16 308 A G E +B 33 0A 2 17,-2.5 17,-2.0 -2,-0.3 2,-0.3 -0.994 17.0 175.5-126.7 124.6 45.6 -44.6 -17.0 17 309 A F E -B 32 0A 9 -2,-0.4 2,-0.4 42,-0.3 15,-0.2 -0.891 22.1-144.3-130.7 157.6 47.7 -41.5 -16.4 18 310 A V E -B 31 0A 11 13,-2.4 12,-2.0 -2,-0.3 13,-1.0 -0.985 14.7-165.5-125.1 128.5 49.5 -39.8 -13.5 19 311 A L E -B 29 0A 31 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.807 28.1-132.8-110.8 152.5 49.8 -36.1 -13.0 20 312 A S S S+ 0 0 68 8,-1.4 2,-0.3 -2,-0.3 -1,-0.1 0.783 95.8 6.5 -68.4 -27.2 52.1 -34.1 -10.7 21 313 A R S S- 0 0 111 7,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.963 79.5-106.1-152.0 164.8 49.0 -32.2 -9.6 22 314 A K S S+ 0 0 124 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.1 0.878 94.5 86.2 -64.4 -41.4 45.2 -32.2 -10.0 23 315 A E >> - 0 0 23 1,-0.2 3,-1.3 3,-0.1 4,-1.0 -0.503 64.3-160.1 -67.4 110.3 45.0 -29.2 -12.3 24 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.779 89.8 57.9 -62.9 -29.6 45.5 -30.6 -15.9 25 317 A M T 34 S+ 0 0 8 1,-0.2 -2,-0.1 244,-0.0 -3,-0.0 0.682 119.2 30.3 -73.2 -19.4 46.5 -27.1 -17.2 26 318 A W T <4 S+ 0 0 77 -3,-1.3 -1,-0.2 -5,-0.1 2,-0.2 0.389 100.7 107.9-116.3 -1.5 49.3 -26.9 -14.6 27 319 A A < - 0 0 2 -4,-1.0 2,-0.4 -5,-0.1 -5,-0.0 -0.521 61.1-135.7 -89.2 145.7 50.2 -30.6 -14.3 28 320 A D - 0 0 73 -2,-0.2 -8,-1.4 1,-0.0 2,-1.2 -0.838 26.5-121.3 -92.6 132.7 53.2 -32.5 -15.6 29 321 A L E +B 19 0A 2 -2,-0.4 18,-0.3 -10,-0.2 -10,-0.2 -0.627 38.7 170.8 -77.9 98.7 52.4 -35.8 -17.3 30 322 A L E + 0 0 92 -12,-2.0 2,-0.3 -2,-1.2 -1,-0.2 0.956 61.7 6.6 -74.7 -54.1 54.4 -38.3 -15.1 31 323 A A E -B 18 0A 30 -13,-1.0 -13,-2.4 14,-0.1 2,-0.4 -0.977 57.6-168.9-135.8 147.3 53.1 -41.6 -16.4 32 324 A L E +B 17 0A 3 -2,-0.3 11,-2.2 11,-0.3 2,-0.3 -0.999 17.2 159.7-136.5 133.9 50.8 -42.8 -19.3 33 325 A A E -BC 16 42A 0 -17,-2.0 -17,-2.5 -2,-0.4 2,-0.3 -0.946 19.1-155.3-147.7 166.4 49.4 -46.2 -19.8 34 326 A A E -BC 15 41A 1 7,-2.0 7,-3.3 -2,-0.3 2,-0.4 -0.988 3.1-158.2-145.3 153.1 46.6 -48.2 -21.6 35 327 A A E +BC 14 40A 0 -21,-2.1 -21,-2.9 -2,-0.3 2,-0.3 -0.998 23.7 142.6-137.1 137.0 44.8 -51.5 -21.1 36 328 A R + 0 0 112 3,-1.2 -23,-0.1 -2,-0.4 3,-0.1 -0.922 63.7 12.4-171.6 142.5 42.8 -53.6 -23.6 37 329 A G S S- 0 0 67 -2,-0.3 3,-0.1 1,-0.2 -24,-0.0 0.805 133.2 -53.6 55.6 30.7 42.2 -57.2 -24.5 38 330 A G S S+ 0 0 37 1,-0.2 -35,-0.4 77,-0.0 2,-0.3 0.930 111.9 120.4 70.5 48.1 43.7 -58.1 -21.2 39 331 A R - 0 0 107 -37,-0.1 -3,-1.2 -3,-0.1 2,-0.5 -0.992 53.0-142.0-143.0 150.1 47.0 -56.2 -21.7 40 332 A V E -aC 4 35A 6 -37,-2.0 -35,-3.0 -2,-0.3 2,-0.6 -0.956 13.7-169.5-115.2 124.5 48.9 -53.4 -20.1 41 333 A H E - C 0 34A 6 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.6 -0.935 1.7-169.7-116.4 111.4 50.8 -50.9 -22.2 42 334 A R E - C 0 33A 100 -2,-0.6 -35,-0.4 -37,-0.4 -9,-0.2 -0.886 21.4-130.6-104.6 115.7 53.2 -48.5 -20.4 43 335 A A - 0 0 16 -11,-2.2 -11,-0.3 -2,-0.6 4,-0.1 -0.372 2.6-144.9 -64.5 134.4 54.5 -45.6 -22.5 44 336 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.911 96.5 20.8 -62.3 -45.1 58.3 -45.1 -22.3 45 337 A E S > S- 0 0 87 1,-0.1 4,-2.5 -14,-0.0 3,-0.4 -0.929 75.1-155.5-132.4 107.0 57.9 -41.4 -22.6 46 338 A P H > S+ 0 0 19 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.853 90.7 49.5 -49.1 -52.5 54.4 -40.1 -21.5 47 339 A Y H 4 S+ 0 0 48 -18,-0.3 4,-0.4 1,-0.2 3,-0.2 0.880 114.6 44.3 -60.4 -41.4 54.4 -36.8 -23.5 48 340 A K H >4 S+ 0 0 141 -3,-0.4 3,-1.6 1,-0.2 4,-0.4 0.926 109.6 55.1 -68.8 -45.4 55.4 -38.5 -26.8 49 341 A A H >X S+ 0 0 4 -4,-2.5 3,-1.0 1,-0.3 4,-0.9 0.731 90.3 78.0 -60.6 -22.9 53.0 -41.4 -26.4 50 342 A L T 3< S+ 0 0 2 -4,-1.2 3,-0.3 1,-0.3 -1,-0.3 0.849 86.3 60.3 -55.8 -35.6 50.2 -38.8 -26.1 51 343 A R T <4 S+ 0 0 129 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.834 96.0 61.5 -61.5 -34.7 50.3 -38.4 -29.8 52 344 A D T <4 S+ 0 0 85 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.893 83.9 89.8 -62.5 -43.8 49.5 -42.1 -30.5 53 345 A L < - 0 0 26 -4,-0.9 3,-0.1 -3,-0.3 -42,-0.1 -0.189 57.9-160.8 -60.1 145.5 46.1 -42.0 -28.7 54 346 A K S S- 0 0 155 1,-0.4 2,-0.3 21,-0.1 -1,-0.1 0.688 74.3 -6.3 -99.8 -25.5 43.0 -41.2 -30.8 55 347 A E S S- 0 0 90 20,-0.2 2,-0.6 2,-0.1 -1,-0.4 -0.967 73.3-104.9-163.8 158.3 40.8 -40.3 -27.9 56 348 A A B +d 77 0B 1 20,-2.3 22,-4.1 -2,-0.3 2,-0.4 -0.793 39.4 165.4 -95.4 116.6 40.8 -40.4 -24.1 57 349 A R + 0 0 40 -2,-0.6 -42,-2.4 -44,-0.3 2,-0.3 -0.975 36.5 59.4-132.6 122.4 38.7 -43.1 -22.4 58 350 A G S > S- 0 0 2 21,-1.8 3,-1.4 -2,-0.4 24,-0.1 -0.863 92.4 -20.4 149.6 176.0 39.1 -44.0 -18.7 59 351 A L T 3 S+ 0 0 3 54,-0.3 -42,-0.3 1,-0.3 58,-0.1 -0.274 132.0 4.0 -53.4 121.7 38.9 -42.5 -15.2 60 352 A L T 3> S+ 0 0 49 3,-0.1 4,-1.4 -44,-0.1 3,-0.4 0.851 79.6 163.5 70.3 38.3 39.2 -38.7 -15.5 61 353 A A H <> + 0 0 3 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.903 67.5 58.1 -53.4 -48.3 39.3 -38.7 -19.3 62 354 A K H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.878 102.3 54.0 -51.9 -45.6 38.5 -35.0 -19.6 63 355 A D H > S+ 0 0 11 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.927 109.4 46.3 -58.1 -49.1 41.5 -33.9 -17.5 64 356 A L H X S+ 0 0 1 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.867 113.4 51.5 -60.6 -35.8 44.0 -35.9 -19.7 65 357 A S H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 10,-0.3 0.884 106.0 54.0 -67.6 -40.7 42.2 -34.4 -22.7 66 358 A V H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.937 110.1 46.6 -56.7 -48.9 42.5 -30.9 -21.2 67 359 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.818 110.0 55.2 -64.1 -31.9 46.3 -31.4 -20.9 68 360 A A H ><>S+ 0 0 0 -4,-1.6 5,-1.6 1,-0.2 3,-1.2 0.938 106.4 48.8 -66.2 -48.3 46.3 -32.8 -24.4 69 361 A L H ><5S+ 0 0 35 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.815 103.7 63.2 -59.4 -30.7 44.7 -29.6 -25.8 70 362 A R H 3<5S+ 0 0 53 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.798 103.9 47.8 -62.6 -28.7 47.3 -27.7 -23.8 71 363 A E T <<5S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.198 124.2-101.5-100.6 14.4 50.0 -29.3 -26.0 72 364 A G T < 5S+ 0 0 70 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.272 81.3 134.2 85.8 -11.4 48.2 -28.6 -29.3 73 365 A L < - 0 0 31 -5,-1.6 2,-1.5 -6,-0.2 -1,-0.3 -0.576 53.9-142.4 -77.1 127.5 47.0 -32.2 -29.5 74 366 A G + 0 0 70 -2,-0.4 -1,-0.1 -3,-0.1 -5,-0.1 -0.613 39.8 156.1 -88.3 77.7 43.3 -32.6 -30.5 75 367 A L - 0 0 7 -2,-1.5 -6,-0.2 -10,-0.3 -7,-0.2 -0.857 27.6-155.2-111.0 98.8 42.5 -35.5 -28.2 76 368 A P - 0 0 55 0, 0.0 -20,-2.3 0, 0.0 2,-0.2 -0.470 16.7-119.7 -76.1 140.6 38.8 -35.7 -27.4 77 369 A P B +d 56 0B 10 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.519 37.5 168.6 -76.7 145.4 37.5 -37.4 -24.2 78 370 A G + 0 0 5 -22,-4.1 -16,-0.1 1,-0.4 -20,-0.1 -0.036 46.6 12.0-124.2-131.3 35.2 -40.4 -24.5 79 371 A D - 0 0 17 -22,-0.1 -21,-1.8 -2,-0.1 -1,-0.4 -0.194 58.4-177.5 -53.4 137.8 33.9 -43.0 -22.1 80 372 A D >> - 0 0 13 -23,-0.2 3,-1.7 -3,-0.1 4,-1.2 -0.901 24.8-152.1-144.1 113.3 34.6 -42.3 -18.5 81 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.762 98.5 64.1 -51.8 -30.6 33.6 -44.8 -15.7 82 374 A M H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.858 100.0 52.2 -62.4 -36.0 33.3 -41.8 -13.3 83 375 A L H <> S+ 0 0 1 -3,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.883 109.7 47.9 -68.2 -39.2 30.4 -40.5 -15.5 84 376 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 3,-0.2 0.933 113.4 47.0 -66.4 -46.4 28.6 -43.8 -15.3 85 377 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 7,-0.3 0.883 109.1 55.2 -62.1 -39.8 29.0 -44.0 -11.5 86 378 A Y H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 108.8 48.6 -62.2 -33.3 27.9 -40.4 -11.2 87 379 A L H < S+ 0 0 2 -4,-1.4 343,-0.5 -3,-0.2 -1,-0.2 0.840 111.2 48.7 -77.1 -35.9 24.7 -41.3 -13.1 88 380 A L H < S- 0 0 22 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.971 138.0 -2.2 -62.8 -54.3 24.0 -44.3 -10.9 89 381 A D >< - 0 0 21 -4,-2.7 3,-3.0 -5,-0.1 -1,-0.3 -0.915 61.4-149.4-146.2 110.7 24.5 -42.4 -7.7 90 382 A P T 3 S+ 0 0 8 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.514 95.3 75.4 -60.9 -4.3 25.6 -38.7 -7.7 91 383 A S T 3 S+ 0 0 73 -6,-0.2 2,-1.5 1,-0.1 3,-0.3 0.561 71.2 93.3 -81.5 -11.2 27.4 -39.5 -4.4 92 384 A N < + 0 0 10 -3,-3.0 -1,-0.1 -7,-0.3 -3,-0.1 -0.664 45.7 138.1 -79.9 86.7 30.0 -41.2 -6.6 93 385 A T + 0 0 54 -2,-1.5 -1,-0.2 183,-0.1 182,-0.2 0.597 52.0 53.5-110.6 -16.8 32.3 -38.1 -6.9 94 386 A T > - 0 0 56 -3,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.905 67.9-134.1-127.5 150.7 35.8 -39.6 -6.5 95 387 A P H > S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.825 108.7 60.4 -65.5 -34.5 37.9 -42.4 -8.1 96 388 A E H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 10,-0.3 0.941 113.1 35.7 -58.3 -49.5 38.9 -43.5 -4.6 97 389 A G H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.937 118.2 50.3 -69.1 -49.4 35.3 -44.2 -3.7 98 390 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.918 112.0 47.1 -57.9 -48.6 34.1 -45.4 -7.1 99 391 A A H >X>S+ 0 0 0 -4,-2.7 5,-1.3 1,-0.2 3,-0.8 0.973 112.4 48.8 -56.4 -58.2 37.0 -47.9 -7.4 100 392 A R H 3<5S+ 0 0 192 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.803 115.6 47.3 -49.3 -33.0 36.5 -49.3 -3.9 101 393 A R H 3<5S+ 0 0 116 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.733 117.0 36.9 -87.8 -25.0 32.8 -49.6 -4.7 102 394 A Y H <<5S- 0 0 6 -4,-1.7 -1,-0.2 -3,-0.8 -2,-0.2 0.090 127.5 -68.4-124.1 23.6 32.9 -51.3 -8.1 103 395 A G T <5S+ 0 0 48 -4,-0.7 2,-0.3 1,-0.3 -3,-0.2 0.909 96.8 60.8 99.6 52.0 35.8 -53.7 -7.9 104 396 A G < - 0 0 24 -5,-1.3 2,-0.3 -6,-0.1 -1,-0.3 -0.952 65.3-106.3-172.7-168.1 39.2 -52.0 -7.8 105 397 A E - 0 0 135 -2,-0.3 2,-0.7 7,-0.2 11,-0.1 -0.955 25.6-126.5-147.4 124.8 41.7 -49.7 -6.0 106 398 A W + 0 0 40 -2,-0.3 2,-0.1 -10,-0.3 7,-0.1 -0.593 43.3 176.5 -73.6 112.0 42.7 -46.1 -7.0 107 399 A T - 0 0 24 -2,-0.7 -1,-0.0 2,-0.2 -11,-0.0 -0.238 43.1-116.4-106.6-168.8 46.5 -46.2 -7.2 108 400 A E S S+ 0 0 144 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.111 86.3 91.3-116.2 16.3 49.4 -43.9 -8.1 109 401 A E S > S- 0 0 50 1,-0.1 4,-1.6 -92,-0.0 -2,-0.2 -0.952 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5,-0.2 0.838 114.9 58.7 -73.2 -34.2 37.3 -53.5 -15.5 120 412 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 5,-0.2 0.863 107.9 47.4 -62.9 -36.1 35.6 -50.6 -13.7 121 413 A F H X S+ 0 0 25 -4,-1.6 4,-2.6 -5,-0.2 5,-0.3 0.895 108.6 54.7 -71.2 -42.2 33.9 -49.7 -17.0 122 414 A A H X S+ 0 0 65 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.971 114.9 38.7 -53.4 -59.2 32.9 -53.3 -17.7 123 415 A N H >X S+ 0 0 65 -4,-2.3 4,-1.5 2,-0.2 3,-0.7 0.973 119.8 44.0 -56.5 -63.3 31.1 -53.6 -14.3 124 416 A L H >X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.3 3,-0.6 0.904 110.4 54.5 -51.8 -51.0 29.5 -50.1 -14.2 125 417 A W H 3< S+ 0 0 63 -4,-2.6 4,-0.4 1,-0.3 3,-0.3 0.844 107.3 53.5 -53.7 -34.2 28.4 -50.2 -17.8 126 418 A G H X< S+ 0 0 43 -4,-1.4 3,-0.9 -3,-0.7 -1,-0.3 0.857 103.9 54.1 -68.5 -36.3 26.6 -53.4 -17.0 127 419 A R H << S+ 0 0 125 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.683 104.3 57.3 -71.2 -17.3 24.8 -51.9 -14.1 128 420 A L T >< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.3 7,-0.3 0.593 79.3 111.7 -88.7 -12.5 23.5 -49.2 -16.4 129 421 A E T < S+ 0 0 94 -3,-0.9 -3,-0.0 -4,-0.4 3,-0.0 -0.456 82.3 21.4 -67.3 128.3 21.9 -51.7 -18.8 130 422 A G T 3 S+ 0 0 73 -2,-0.2 2,-2.1 1,-0.1 -1,-0.3 -0.027 93.4 106.9 101.9 -27.9 18.1 -51.4 -18.6 131 423 A E X> + 0 0 69 -3,-1.5 4,-2.7 1,-0.2 3,-0.7 -0.416 45.0 171.6 -80.6 63.0 18.3 -47.8 -17.3 132 424 A E H 3> S+ 0 0 161 -2,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.814 72.1 49.8 -42.0 -45.3 17.2 -46.4 -20.6 133 425 A R H 3> S+ 0 0 115 -3,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.875 112.6 45.2 -70.1 -39.3 16.9 -42.8 -19.2 134 426 A L H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.914 110.6 53.9 -68.2 -45.0 20.3 -42.8 -17.6 135 427 A L H X S+ 0 0 17 -4,-2.7 4,-2.4 -7,-0.3 5,-0.3 0.875 107.4 53.3 -54.6 -38.3 22.0 -44.3 -20.7 136 428 A W H X S+ 0 0 101 -4,-1.7 4,-2.7 -5,-0.3 5,-0.2 0.890 108.3 48.5 -65.4 -40.6 20.3 -41.4 -22.6 137 429 A L H X>S+ 0 0 0 -4,-1.5 5,-2.9 2,-0.2 4,-1.5 0.885 112.0 50.1 -65.5 -39.4 21.9 -38.9 -20.3 138 430 A Y H <>S+ 0 0 0 -4,-2.5 5,-3.0 3,-0.2 -2,-0.2 0.930 120.7 32.8 -65.7 -47.2 25.3 -40.5 -20.6 139 431 A R H <5S+ 0 0 111 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.875 127.2 37.8 -77.5 -39.7 25.3 -40.6 -24.4 140 432 A E H <5S+ 0 0 103 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.567 136.2 2.8 -95.1 -10.7 23.3 -37.5 -25.2 141 433 A V T X5S+ 0 0 1 -4,-1.5 4,-2.5 -5,-0.2 -3,-0.2 0.530 123.8 44.5-135.8 -65.9 24.6 -35.1 -22.4 142 434 A E H >> S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.857 111.5 59.1 -61.7 -35.2 29.6 -35.3 -25.2 145 437 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.3 5,-0.3 0.870 93.1 65.8 -61.8 -38.5 29.6 -32.6 -22.5 146 438 A S H 3X S+ 0 0 3 -4,-2.0 4,-1.4 -3,-0.3 -1,-0.3 0.803 103.5 47.9 -54.3 -32.5 33.0 -33.8 -21.2 147 439 A A H + 0 0 60 145,-2.2 4,-1.6 -2,-0.4 5,-0.1 -0.679 32.5 176.7 -84.9 90.3 43.1 -7.6 -16.8 161 453 A V H >> S+ 0 0 46 -2,-1.4 4,-2.8 1,-0.2 3,-0.8 0.970 73.4 50.1 -61.6 -61.8 46.0 -8.1 -14.4 162 454 A A H 3> S+ 0 0 74 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.815 109.5 56.1 -48.3 -34.8 47.5 -4.6 -14.1 163 455 A Y H 3> S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.914 110.4 42.5 -64.9 -44.9 43.9 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0.539 35.3 170.2 99.8 12.1 1.7 -28.4 -13.8 333 625 A D >> - 0 0 3 -6,-0.3 4,-3.2 -5,-0.2 3,-0.8 -0.423 20.4-161.2 -61.1 112.0 0.3 -25.4 -11.8 334 626 A E H 3> S+ 0 0 92 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.937 86.7 56.9 -62.3 -50.9 -1.9 -23.6 -14.3 335 627 A N H 34 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.617 117.7 37.1 -60.5 -11.9 -2.0 -20.3 -12.5 336 628 A L H X> S+ 0 0 3 -3,-0.8 3,-2.2 2,-0.1 4,-1.2 0.784 113.3 53.1-102.2 -48.0 1.8 -20.3 -12.7 337 629 A I H 3X S+ 0 0 21 -4,-3.2 4,-1.4 1,-0.3 3,-0.3 0.852 107.2 56.2 -52.6 -35.7 2.3 -21.8 -16.1 338 630 A R H 3X S+ 0 0 125 -4,-3.1 4,-0.7 1,-0.2 -1,-0.3 0.438 98.6 60.8 -82.3 0.8 -0.1 -19.1 -17.4 339 631 A V H <4>S+ 0 0 10 -3,-2.2 5,-1.6 -5,-0.2 -1,-0.2 0.779 112.2 36.6 -90.6 -34.8 2.2 -16.4 -15.9 340 632 A F H <5S+ 0 0 4 -4,-1.2 3,-0.4 -3,-0.3 -2,-0.2 0.677 113.0 61.3 -85.1 -21.6 5.1 -17.4 -18.1 341 633 A Q H <5S+ 0 0 111 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.2 0.910 107.3 42.9 -68.4 -43.5 2.6 -18.2 -20.9 342 634 A E T <5S- 0 0 112 -4,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.393 112.8-120.9 -82.4 3.4 1.5 -14.6 -21.0 343 635 A G T 5 + 0 0 63 -3,-0.4 2,-0.5 1,-0.2 -3,-0.2 0.741 61.4 155.1 61.0 22.1 5.1 -13.5 -20.7 344 636 A R < - 0 0 126 -5,-1.6 -1,-0.2 -6,-0.2 2,-0.2 -0.707 53.3-108.4 -85.4 127.0 4.0 -11.7 -17.6 345 637 A D > - 0 0 58 -2,-0.5 4,-2.4 1,-0.1 3,-0.4 -0.345 26.3-151.1 -54.2 117.6 6.7 -11.1 -15.0 346 638 A I H >>S+ 0 0 2 1,-0.2 4,-5.9 2,-0.2 5,-0.6 0.959 88.0 62.9 -57.9 -57.4 6.0 -13.4 -12.1 347 639 A H H 45S+ 0 0 7 1,-0.3 16,-0.3 2,-0.2 18,-0.2 0.805 117.6 30.5 -39.6 -43.3 7.5 -11.4 -9.3 348 640 A T H 45S+ 0 0 33 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.818 122.7 50.0 -85.1 -35.3 4.9 -8.6 -10.0 349 641 A E H <5S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.862 114.9 43.7 -70.1 -37.5 2.2 -11.0 -11.2 350 642 A T T <5S+ 0 0 17 -4,-5.9 2,-2.6 1,-0.2 -1,-0.2 0.498 87.3 95.8 -84.2 -7.0 2.7 -13.2 -8.1 351 643 A A < + 0 0 6 -5,-0.6 3,-0.5 1,-0.2 -1,-0.2 -0.349 48.7 136.3 -72.3 55.6 2.8 -9.9 -6.3 352 644 A S + 0 0 63 -2,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.036 12.6 124.0 -99.8 27.9 -0.9 -10.7 -5.7 353 645 A W S S- 0 0 40 2,-0.0 -1,-0.2 -3,-0.0 -2,-0.1 0.878 107.7 -22.4 -51.5 -37.3 -0.9 -9.7 -2.1 354 646 A M S S- 0 0 94 -3,-0.5 2,-0.2 0, 0.0 -2,-0.1 0.367 120.2 -47.8-132.0 -75.7 -3.7 -7.5 -3.3 355 647 A F - 0 0 83 -4,-0.2 -3,-0.1 4,-0.0 -6,-0.1 -0.832 63.3-177.2-171.5 131.2 -3.5 -6.9 -7.1 356 648 A G 0 0 41 -2,-0.2 -7,-0.1 -7,-0.2 -4,-0.0 0.413 360.0 360.0 -68.1-149.5 -0.8 -5.8 -9.5 357 649 A V 0 0 92 -9,-0.0 -8,-0.1 3,-0.0 -5,-0.0 0.585 360.0 360.0-144.1 360.0 0.5 -5.0 -11.8 358 ! 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 0.0 359 656 A P 0 0 58 0, 0.0 -11,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 54.1 3.0 -3.2 -8.4 360 657 A L + 0 0 101 0, 0.0 -4,-0.0 0, 0.0 -12,-0.0 -0.369 360.0 31.8 169.6 -76.8 3.9 -1.9 -4.9 361 658 A M S > S+ 0 0 73 -10,-0.1 3,-1.3 -13,-0.1 4,-0.1 0.397 88.1 141.1 -86.4 1.4 5.2 -4.4 -2.4 362 659 A R T 3 + 0 0 88 1,-0.2 -14,-0.1 2,-0.2 -15,-0.1 0.169 48.9 49.5 -45.1 164.0 6.8 -6.4 -5.2 363 660 A R T 3> S+ 0 0 120 -16,-0.3 4,-0.9 1,-0.0 -1,-0.2 0.083 90.6 85.9 81.8 -21.7 10.3 -8.0 -4.7 364 661 A A H <> S+ 0 0 12 -3,-1.3 4,-0.5 2,-0.2 -2,-0.2 0.751 96.6 42.2 -69.3 -25.9 8.8 -9.4 -1.5 365 662 A A H > S+ 0 0 4 -18,-0.2 4,-3.7 2,-0.2 5,-0.3 0.782 102.4 66.6 -85.8 -33.7 7.7 -12.0 -3.9 366 663 A K H > S+ 0 0 80 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.795 109.3 39.9 -55.4 -28.9 11.1 -12.0 -5.7 367 664 A T H X S+ 0 0 28 -4,-0.9 4,-0.8 2,-0.2 -1,-0.2 0.684 112.8 54.1 -94.2 -23.6 12.4 -13.4 -2.4 368 665 A I H X S+ 0 0 21 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.881 109.5 49.0 -72.2 -40.1 9.4 -15.7 -1.9 369 666 A N H X S+ 0 0 2 -4,-3.7 4,-0.7 1,-0.2 -2,-0.2 0.891 113.9 44.4 -66.4 -41.4 10.0 -17.2 -5.3 370 667 A F H < S+ 0 0 92 -4,-0.9 4,-0.4 -5,-0.3 -1,-0.2 0.779 116.8 51.6 -67.2 -26.2 13.7 -17.7 -4.6 371 668 A G H >X>S+ 0 0 1 -4,-0.8 5,-1.8 -6,-0.2 4,-1.5 0.805 96.2 61.1 -85.3 -33.3 12.6 -19.0 -1.2 372 669 A V H 3<5S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.796 97.6 61.9 -66.9 -27.6 10.0 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