==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 24-FEB-10 3LWL . 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) . 24290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.6 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 . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.4 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 1 3 1 2 2 2 2 0 0 2 2 0 0 1 2 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 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 1 295 A E 0 0 162 0, 0.0 37,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 47.4 49.8 -59.2 -19.5 2 296 A E E +a 38 0A 154 35,-0.2 37,-0.2 37,-0.1 35,-0.1 -0.816 360.0 168.2-101.9 111.0 52.6 -56.9 -20.6 3 297 A A E -a 39 0A 21 35,-1.4 37,-0.5 -2,-0.7 0, 0.0 -0.837 38.4 -94.9-115.6 155.0 52.9 -56.0 -24.3 4 298 A P - 0 0 112 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.249 58.0 -66.4 -67.1 153.4 55.0 -53.4 -26.0 5 299 A W S S+ 0 0 41 35,-0.4 35,-0.0 2,-0.0 26,-0.0 -0.569 100.5 58.2 -73.8 144.2 53.7 -49.9 -26.8 6 300 A P S S- 0 0 82 0, 0.0 34,-0.1 0, 0.0 41,-0.0 0.540 72.6-149.9 -89.0 172.1 51.7 -48.9 -28.7 7 301 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.530 27.3 -88.2 -97.0 165.8 48.3 -50.6 -27.8 8 302 A P > - 0 0 63 0, 0.0 3,-0.9 0, 0.0 2,-0.0 -0.224 57.6 -83.7 -65.8 163.5 45.4 -51.6 -30.0 9 303 A E T 3 S+ 0 0 153 1,-0.2 42,-0.0 42,-0.0 0, 0.0 -0.348 112.5 33.5 -68.0 150.2 42.6 -49.0 -30.7 10 304 A G T 3 S+ 0 0 32 1,-0.3 2,-0.2 43,-0.1 -1,-0.2 0.549 81.0 148.9 83.6 7.9 39.9 -48.7 -28.1 11 305 A A < - 0 0 16 -3,-0.9 2,-0.4 23,-0.1 44,-0.4 -0.542 54.2-110.5 -76.4 138.9 42.2 -49.5 -25.1 12 306 A F E -B 33 0A 19 21,-2.1 21,-2.6 -2,-0.2 44,-0.2 -0.558 36.8-138.2 -69.8 122.8 41.4 -47.9 -21.7 13 307 A V E -B 32 0A 4 42,-3.1 44,-0.4 -2,-0.4 2,-0.4 -0.522 17.3-167.8 -86.4 148.4 44.0 -45.4 -20.9 14 308 A G E +B 31 0A 2 17,-3.4 17,-3.3 -2,-0.2 2,-0.3 -0.999 11.9 176.7-133.6 136.6 45.6 -44.8 -17.5 15 309 A F E -B 30 0A 10 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.967 22.1-145.3-142.1 154.6 47.8 -41.8 -16.6 16 310 A V E -B 29 0A 12 13,-1.9 12,-2.0 -2,-0.3 13,-1.3 -0.986 16.7-165.1-122.2 128.0 49.7 -40.3 -13.7 17 311 A L E -B 27 0A 28 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.819 27.0-132.4-110.2 152.4 50.0 -36.6 -13.2 18 312 A S S S+ 0 0 66 8,-2.0 2,-0.3 -2,-0.3 9,-0.1 0.675 95.3 8.9 -73.2 -19.5 52.3 -34.6 -10.9 19 313 A R S S- 0 0 113 7,-0.3 -1,-0.1 2,-0.1 6,-0.1 -0.971 81.5-106.3-157.5 162.4 49.4 -32.6 -9.7 20 314 A K S S+ 0 0 124 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.760 93.5 86.5 -68.5 -27.6 45.6 -32.6 -10.1 21 315 A E >> - 0 0 25 1,-0.2 3,-1.7 2,-0.1 4,-1.5 -0.670 63.7-158.1 -82.6 110.8 45.3 -29.7 -12.5 22 316 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.822 91.9 55.7 -54.6 -39.8 45.8 -30.9 -16.1 23 317 A M T 34 S+ 0 0 10 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.654 119.4 32.4 -69.5 -16.5 46.8 -27.4 -17.3 24 318 A W T <4 S+ 0 0 76 -3,-1.7 -1,-0.2 -5,-0.1 2,-0.2 0.509 98.3 106.9-114.6 -10.1 49.6 -27.3 -14.8 25 319 A A < - 0 0 2 -4,-1.5 2,-0.4 -3,-0.1 -5,-0.0 -0.436 61.4-135.6 -84.3 144.0 50.6 -31.0 -14.5 26 320 A D - 0 0 78 -2,-0.2 -8,-2.0 1,-0.0 2,-1.0 -0.800 30.8-122.4 -81.7 133.5 53.6 -32.8 -15.7 27 321 A L E +B 17 0A 4 -2,-0.4 -10,-0.2 -10,-0.2 18,-0.2 -0.718 34.0 179.2 -81.2 103.2 52.5 -36.1 -17.3 28 322 A L E - 0 0 92 -12,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.870 59.4 -0.4 -76.6 -39.9 54.5 -38.7 -15.3 29 323 A A E -B 16 0A 28 -13,-1.3 -13,-1.9 14,-0.1 2,-0.4 -0.994 53.1-161.1-152.3 155.2 53.3 -41.9 -16.9 30 324 A L E +B 15 0A 2 11,-0.4 11,-2.9 -2,-0.3 2,-0.3 -0.972 18.7 163.3-143.5 122.5 51.0 -43.2 -19.6 31 325 A A E -BC 14 40A 0 -17,-3.3 -17,-3.4 -2,-0.4 2,-0.3 -0.928 17.6-155.5-136.3 160.3 49.6 -46.8 -19.9 32 326 A A E -BC 13 39A 2 7,-2.7 7,-3.6 -2,-0.3 2,-0.4 -0.998 3.6-159.2-139.8 143.4 46.8 -48.5 -21.8 33 327 A A E +BC 12 38A 0 -21,-2.6 -21,-2.1 -2,-0.3 2,-0.3 -0.981 17.3 160.2-127.9 131.6 44.8 -51.7 -21.2 34 328 A R E > S+ C 0 37A 110 3,-2.4 3,-1.4 -2,-0.4 -23,-0.1 -0.955 72.2 3.8-152.0 129.4 42.9 -53.9 -23.6 35 329 A G T 3 S- 0 0 71 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.945 130.3 -60.6 58.3 48.0 41.8 -57.5 -23.3 36 330 A G T 3 S+ 0 0 37 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.375 111.9 129.2 63.6 -6.7 43.3 -57.5 -19.8 37 331 A R E < - C 0 34A 136 -3,-1.4 -3,-2.4 -35,-0.1 2,-0.5 -0.678 48.1-150.4 -87.6 127.5 46.6 -56.7 -21.5 38 332 A V E -aC 2 33A 7 -37,-2.8 -35,-1.4 -2,-0.4 2,-0.5 -0.837 10.3-170.3-103.4 129.1 48.5 -53.7 -20.1 39 333 A H E -aC 3 32A 5 -7,-3.6 -7,-2.7 -2,-0.5 2,-0.5 -0.964 5.5-160.5-116.0 129.9 50.9 -51.6 -22.2 40 334 A R E - C 0 31A 97 -37,-0.5 -35,-0.4 -2,-0.5 -9,-0.2 -0.941 17.6-129.4-114.7 125.9 53.2 -49.0 -20.6 41 335 A A - 0 0 15 -11,-2.9 -11,-0.4 -2,-0.5 4,-0.1 -0.539 3.9-145.6 -77.5 129.9 54.6 -46.1 -22.6 42 336 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.872 96.0 21.3 -58.3 -43.4 58.4 -45.6 -22.5 43 337 A E S > S- 0 0 86 1,-0.1 4,-2.7 -13,-0.0 5,-0.2 -0.906 74.7-154.6-133.7 105.4 58.0 -41.8 -22.8 44 338 A P H > S+ 0 0 14 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.810 91.0 48.7 -47.1 -48.1 54.5 -40.5 -21.8 45 339 A Y H >> S+ 0 0 48 -18,-0.2 3,-1.1 2,-0.2 4,-0.7 0.970 114.4 42.8 -62.8 -57.2 54.6 -37.3 -23.9 46 340 A K H >4 S+ 0 0 156 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.919 112.7 55.9 -51.2 -47.0 55.7 -39.0 -27.2 47 341 A A H >< S+ 0 0 4 -4,-2.7 3,-1.5 1,-0.3 4,-0.4 0.722 91.4 72.6 -61.1 -24.7 53.3 -41.8 -26.5 48 342 A L H X< S+ 0 0 2 -3,-1.1 3,-1.3 -4,-1.1 -1,-0.3 0.859 86.7 64.9 -59.4 -35.2 50.4 -39.3 -26.3 49 343 A R T << S+ 0 0 130 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.625 92.3 63.2 -64.4 -15.1 50.6 -38.8 -30.1 50 344 A D T < S+ 0 0 89 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.703 84.7 88.6 -86.1 -20.3 49.6 -42.4 -30.7 51 345 A L < - 0 0 35 -3,-1.3 3,-0.1 -4,-0.4 -42,-0.0 -0.556 49.8-172.8 -81.6 141.7 46.1 -42.1 -29.2 52 346 A K S S+ 0 0 138 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.474 76.6 16.3-106.9 -7.9 43.2 -41.0 -31.3 53 347 A E S S- 0 0 61 20,-0.2 2,-0.9 2,-0.1 -1,-0.3 -0.967 71.3-124.0-161.3 145.6 40.8 -40.7 -28.3 54 348 A A B +d 75 0B 0 20,-3.5 22,-3.4 -2,-0.3 2,-0.5 -0.818 36.6 170.8 -97.5 101.6 41.0 -40.6 -24.5 55 349 A R + 0 0 32 -2,-0.9 -42,-3.1 -44,-0.4 2,-0.3 -0.947 36.1 51.0-113.8 120.7 38.9 -43.4 -23.0 56 350 A G S > S- 0 0 0 21,-2.3 3,-1.3 -2,-0.5 24,-0.2 -0.942 90.3 -17.3 152.3-172.6 39.1 -44.2 -19.3 57 351 A L T 3 S+ 0 0 6 -44,-0.4 58,-0.1 54,-0.3 21,-0.0 -0.354 128.1 2.8 -60.4 139.5 38.9 -42.8 -15.8 58 352 A L T >> S+ 0 0 51 1,-0.1 4,-1.1 3,-0.1 3,-0.8 0.821 81.8 163.3 52.8 36.3 39.2 -39.0 -15.6 59 353 A A H <> + 0 0 1 -3,-1.3 4,-2.2 1,-0.2 3,-0.2 0.846 65.3 61.3 -54.9 -41.2 39.5 -38.9 -19.5 60 354 A K H 3> S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.878 99.1 57.6 -55.7 -40.0 38.7 -35.2 -19.7 61 355 A D H <> S+ 0 0 12 -3,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.922 108.8 43.7 -56.1 -48.4 41.9 -34.4 -17.6 62 356 A L H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.2 -1,-0.2 0.879 114.0 52.1 -67.4 -36.0 44.2 -36.2 -20.1 63 357 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 10,-0.3 0.928 106.5 52.6 -64.2 -46.5 42.3 -34.6 -23.0 64 358 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.883 110.8 48.8 -52.8 -41.8 42.8 -31.1 -21.5 65 359 A L H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.893 108.9 52.0 -69.8 -40.2 46.5 -31.8 -21.2 66 360 A A H <>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 3,-0.4 0.921 109.1 49.9 -60.4 -45.8 46.7 -33.0 -24.8 67 361 A L H ><5S+ 0 0 32 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.876 105.9 57.6 -60.1 -37.4 45.0 -29.8 -26.0 68 362 A R H 3<5S+ 0 0 35 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.854 107.4 47.9 -59.1 -35.0 47.6 -27.9 -23.9 69 363 A E T 3<5S- 0 0 45 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.242 126.9-101.2 -92.7 11.3 50.2 -29.7 -26.0 70 364 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.668 79.8 133.7 79.7 18.6 48.5 -28.8 -29.2 71 365 A L < - 0 0 36 -5,-3.1 2,-1.9 -6,-0.2 -1,-0.2 -0.887 55.1-139.9-105.5 129.6 46.9 -32.3 -29.7 72 366 A G + 0 0 73 -2,-0.5 -5,-0.1 -3,-0.1 -9,-0.1 -0.424 43.2 157.0 -83.3 64.1 43.3 -32.6 -30.7 73 367 A L - 0 0 9 -2,-1.9 -6,-0.2 -10,-0.3 -20,-0.2 -0.819 28.7-149.7 -97.5 117.1 42.6 -35.6 -28.5 74 368 A P - 0 0 54 0, 0.0 -20,-3.5 0, 0.0 2,-0.2 -0.629 14.8-118.4 -89.0 141.6 38.9 -36.0 -27.5 75 369 A P B +d 54 0B 8 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.527 39.3 173.9 -69.0 143.4 37.6 -37.5 -24.3 76 370 A G - 0 0 0 -22,-3.4 -21,-0.1 1,-0.4 -16,-0.1 -0.129 45.8 -2.0-122.4-139.5 35.5 -40.7 -24.8 77 371 A D - 0 0 20 -2,-0.1 -21,-2.3 -22,-0.1 -1,-0.4 -0.202 59.4-175.1 -54.0 143.2 34.0 -43.2 -22.5 78 372 A D >> - 0 0 14 -23,-0.2 3,-1.8 -3,-0.1 4,-1.1 -0.898 24.5-150.3-145.7 114.7 34.6 -42.6 -18.8 79 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.790 98.5 66.9 -55.2 -28.0 33.5 -45.1 -16.1 80 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 98.5 52.0 -58.2 -38.1 33.2 -42.1 -13.7 81 375 A L H <> S+ 0 0 2 -3,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.864 111.1 46.2 -67.6 -36.0 30.4 -40.8 -15.9 82 376 A L H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 3,-0.3 0.947 114.3 47.0 -69.3 -50.0 28.5 -44.1 -15.7 83 377 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 7,-0.3 0.911 110.9 52.4 -57.4 -45.6 29.0 -44.4 -11.9 84 378 A Y H < S+ 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.805 110.1 48.6 -63.6 -31.9 27.9 -40.8 -11.4 85 379 A L H < S+ 0 0 2 -4,-1.2 345,-0.5 -3,-0.3 -1,-0.2 0.841 111.4 49.8 -76.0 -35.2 24.7 -41.5 -13.4 86 380 A L H < S- 0 0 23 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.938 138.6 -4.6 -64.4 -46.1 24.1 -44.6 -11.4 87 381 A D >< - 0 0 22 -4,-2.9 3,-3.0 -5,-0.2 -1,-0.3 -0.871 60.8-147.2-155.0 113.7 24.6 -42.7 -8.1 88 382 A P T 3 S+ 0 0 5 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.532 96.6 73.8 -62.8 -6.6 25.7 -39.0 -7.9 89 383 A S T 3 S+ 0 0 77 -6,-0.2 2,-1.5 1,-0.1 3,-0.2 0.563 71.4 93.5 -83.0 -9.8 27.5 -39.9 -4.7 90 384 A N < + 0 0 7 -3,-3.0 -1,-0.1 -7,-0.3 -3,-0.1 -0.679 48.0 142.7 -77.0 89.1 30.0 -41.6 -7.0 91 385 A T + 0 0 59 -2,-1.5 -1,-0.2 1,-0.1 182,-0.2 0.561 52.1 40.3-111.8 -13.2 32.3 -38.6 -7.2 92 386 A T S > S- 0 0 54 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.969 70.1-124.4-139.9 154.4 35.8 -40.0 -7.1 93 387 A P H > S+ 0 0 11 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.853 112.9 56.7 -61.6 -38.1 37.9 -42.9 -8.6 94 388 A E H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 10,-0.2 0.963 113.2 39.3 -56.8 -53.1 38.9 -43.9 -5.0 95 389 A G H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 118.6 47.9 -64.3 -42.1 35.3 -44.2 -4.0 96 390 A V H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.928 108.0 54.2 -66.9 -46.9 34.2 -45.8 -7.2 97 391 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.7 2,-0.2 3,-0.5 0.939 111.4 45.6 -52.1 -54.0 37.0 -48.3 -7.3 98 392 A R H ><5S+ 0 0 154 -4,-1.8 3,-1.6 -5,-0.3 -2,-0.2 0.975 111.6 51.3 -51.0 -60.3 36.2 -49.6 -3.9 99 393 A R H 3<5S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.719 118.7 36.4 -55.1 -25.1 32.4 -49.8 -4.6 100 394 A Y T <<5S- 0 0 17 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.107 122.2 -83.9-127.6 23.5 32.9 -51.8 -7.8 101 395 A G T < 5S+ 0 0 61 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.2 0.824 88.3 93.1 91.3 36.0 35.8 -54.2 -7.3 102 396 A G < - 0 0 13 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.3 -0.684 61.9-118.7-139.6-165.2 39.0 -52.3 -8.0 103 397 A E - 0 0 93 -2,-0.2 2,-1.0 7,-0.2 11,-0.1 -0.907 14.6-143.3-149.5 110.6 41.8 -50.3 -6.4 104 398 A W + 0 0 37 -2,-0.3 2,-0.1 -10,-0.2 7,-0.1 -0.672 38.7 163.9 -78.7 105.0 42.7 -46.7 -7.3 105 399 A T - 0 0 30 -2,-1.0 -11,-0.0 2,-0.2 -1,-0.0 -0.247 49.6-103.2-108.6-165.0 46.5 -46.6 -7.1 106 400 A E S S+ 0 0 139 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.107 85.3 97.8-112.0 19.8 49.3 -44.3 -8.3 107 401 A E > - 0 0 55 1,-0.1 4,-2.7 -92,-0.0 -2,-0.2 -0.932 67.2-140.4-116.7 135.5 50.5 -46.4 -11.3 108 402 A A H > S+ 0 0 1 -2,-0.4 4,-1.6 1,-0.2 -77,-0.3 0.808 101.8 50.0 -60.9 -35.0 49.4 -45.8 -14.9 109 403 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.965 112.7 43.9 -68.8 -54.3 49.1 -49.5 -15.8 110 404 A E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.892 114.8 51.8 -57.3 -41.2 47.0 -50.4 -12.7 111 405 A R H X S+ 0 0 25 -4,-2.7 4,-2.0 2,-0.2 -54,-0.3 0.853 109.2 49.9 -62.4 -37.3 44.9 -47.3 -13.4 112 406 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.2 -79,-0.3 0.852 113.6 45.1 -70.7 -34.6 44.5 -48.4 -17.0 113 407 A A H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.803 110.3 54.9 -77.6 -31.1 43.4 -51.9 -15.9 114 408 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.920 105.0 54.3 -64.2 -43.5 41.1 -50.4 -13.3 115 409 A S H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.888 108.4 49.3 -57.6 -42.0 39.4 -48.4 -16.0 116 410 A E H X S+ 0 0 42 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.983 113.7 42.4 -63.5 -60.7 38.7 -51.5 -18.0 117 411 A R H X S+ 0 0 125 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.928 114.9 52.3 -49.0 -52.0 37.2 -53.6 -15.3 118 412 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.871 107.4 51.0 -57.1 -40.9 35.2 -50.6 -14.0 119 413 A F H X S+ 0 0 27 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129 423 A E <> + 0 0 56 -3,-0.9 4,-2.5 1,-0.2 3,-0.5 -0.429 42.6 162.6 -80.3 63.3 18.3 -48.1 -17.8 130 424 A E H > + 0 0 113 -2,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.766 66.5 55.2 -61.4 -28.8 17.6 -46.5 -21.1 131 425 A R H > S+ 0 0 124 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 111.1 43.4 -73.1 -39.7 17.0 -43.0 -19.7 132 426 A L H > S+ 0 0 1 -3,-0.5 4,-3.4 2,-0.2 -2,-0.2 0.914 112.0 55.0 -67.0 -42.5 20.4 -42.9 -18.0 133 427 A L H X S+ 0 0 10 -4,-2.5 4,-3.1 -7,-0.2 5,-0.3 0.900 106.6 51.5 -56.5 -40.7 21.9 -44.3 -21.1 134 428 A W H X S+ 0 0 87 -4,-2.0 4,-3.4 2,-0.2 5,-0.4 0.945 110.5 48.1 -60.3 -48.7 20.3 -41.4 -23.0 135 429 A L H X>S+ 0 0 0 -4,-2.0 5,-2.1 292,-0.2 4,-1.9 0.942 114.3 46.9 -54.8 -50.2 21.9 -39.0 -20.5 136 430 A Y H <>S+ 0 0 0 -4,-3.4 5,-2.6 3,-0.2 -2,-0.2 0.950 122.0 34.0 -57.7 -52.5 25.2 -40.7 -20.9 137 431 A R H <5S+ 0 0 78 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.889 128.0 35.1 -70.6 -42.2 25.2 -40.9 -24.7 138 432 A E H <5S+ 0 0 94 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.584 134.5 9.5 -96.7 -11.9 23.4 -37.6 -25.4 139 433 A V T X5S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.4 -3,-0.2 0.596 122.2 40.9-129.9 -70.3 24.7 -35.4 -22.6 140 434 A E H >> S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.901 113.6 58.2 -61.4 -39.3 29.7 -35.3 -25.5 143 437 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.886 95.8 62.2 -56.7 -42.5 29.7 -32.7 -22.7 144 438 A S H 3X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.872 104.1 49.5 -52.6 -37.9 33.0 -34.0 -21.4 145 439 A A H + 0 0 57 145,-3.3 4,-1.7 -2,-0.4 5,-0.1 -0.653 32.0 174.7 -83.9 89.0 43.3 -7.9 -16.8 159 453 A V H > S+ 0 0 43 -2,-1.4 4,-3.0 2,-0.2 5,-0.2 0.918 73.6 53.4 -64.7 -48.6 46.2 -8.3 -14.4 160 454 A A H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 109.1 52.3 -54.4 -43.4 47.4 -4.7 -14.3 161 455 A Y H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.3 45.4 -58.0 -44.8 43.9 -3.7 -13.4 162 456 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.890 108.9 55.9 -69.9 -39.8 43.7 -6.2 -10.5 163 457 A R H X S+ 0 0 110 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.942 112.0 43.2 -52.7 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41.1 -2.1 4.5 174 468 A A H X S+ 0 0 54 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.885 109.6 49.5 -63.2 -39.0 43.6 -0.2 6.6 175 469 A R H X S+ 0 0 137 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.891 112.0 47.1 -68.3 -41.0 41.2 2.7 7.3 176 470 A L H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.908 113.7 49.3 -66.1 -41.6 38.4 0.4 8.4 177 471 A E H X S+ 0 0 67 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.952 109.6 50.3 -61.7 -51.2 40.7 -1.6 10.6 178 472 A A H X S+ 0 0 58 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.890 112.3 48.3 -55.5 -41.6 42.1 1.5 12.2 179 473 A E H X S+ 0 0 53 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.916 110.2 51.1 -65.7 -43.8 38.6 2.7 12.9 180 474 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 6,-0.2 0.924 109.4 50.7 -57.8 -47.0 37.6 -0.7 14.3 181 475 A F H X>S+ 0 0 38 -4,-2.9 4,-1.2 2,-0.2 5,-0.9 0.887 108.6 53.5 -57.4 -40.6 40.6 -0.6 16.6 182 476 A R H ><5S+ 0 0 156 -4,-1.9 3,-1.0 -5,-0.2 -2,-0.2 0.973 111.1 43.8 -58.6 -55.7 39.6 2.8 17.7 183 477 A L H 3<5S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.781 114.7 50.7 -61.5 -28.3 36.1 1.6 18.7 184 478 A A H 3<5S- 0 0 15 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.639 104.4-131.5 -84.3 -15.7 37.5 -1.5 20.3 185 479 A G T <<5S+ 0 0 66 -4,-1.2 -3,-0.2 -3,-1.0 -4,-0.1 0.432 80.8 42.3 80.3 -0.6 40.0 0.6 22.4 186 480 A H S - 0 0 79 -2,-0.3 3,-1.7 1,-0.2 7,-0.3 -0.629 40.4-170.5 -75.6 102.2 43.5 -9.7 14.8 190 484 A L T 3 S+ 0 0 4 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.707 83.6 62.2 -66.4 -21.5 40.3 -8.7 13.0 191 485 A N T 3 S+ 0 0 110 -3,-0.1 2,-0.8 1,-0.0 -1,-0.3 0.524 85.2 89.5 -80.0 -7.7 40.5 -11.8 10.8 192 486 A S <> - 0 0 28 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 -0.829 60.1-166.7 -93.2 111.0 40.2 -14.0 13.9 193 487 A R H > S+ 0 0 65 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.812 89.5 56.7 -67.5 -26.9 36.6 -14.7 14.6 194 488 A D H > S+ 0 0 51 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.931 110.3 42.3 -65.5 -47.7 37.6 -16.0 18.0 195 489 A Q H > S+ 0 0 69 1,-0.2 4,-2.1 -6,-0.2 -2,-0.2 0.906 114.4 52.3 -66.4 -41.0 39.3 -12.8 18.9 196 490 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -7,-0.3 5,-0.2 0.883 104.7 56.9 -60.5 -40.2 36.4 -10.8 17.4 197 491 A E H X S+ 0 0 14 -4,-2.1 4,-2.5 1,-0.2 5,-0.5 0.907 107.4 46.9 -58.6 -46.6 33.9 -12.8 19.5 198 492 A R H X>S+ 0 0 126 -4,-1.6 5,-2.2 3,-0.2 4,-2.2 0.932 113.5 49.6 -61.5 -45.5 35.5 -11.8 22.7 199 493 A V H <>S+ 0 0 3 -4,-2.1 5,-3.0 3,-0.2 -2,-0.2 0.952 117.2 38.7 -59.9 -51.2 35.7 -8.2 21.7 200 494 A L H <5S+ 0 0 0 -4,-3.0 6,-1.1 3,-0.2 -2,-0.2 0.953 131.4 23.3 -65.5 -51.5 32.0 -8.0 20.6 201 495 A F H <5S+ 0 0 17 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.649 132.7 32.4 -97.7 -17.5 30.4 -10.0 23.3 202 496 A D T <5S+ 0 0 99 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.807 128.4 28.8-105.6 -46.0 32.9 -9.9 26.2 203 497 A E T - 0 0 38 5,-2.9 4,-1.2 -2,-0.3 -1,-0.0 -0.517 29.8-122.8 -82.1 150.0 28.1 -21.9 15.9 213 507 A E T 4 S+ 0 0 172 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.922 97.5 27.1 -59.0 -57.9 27.2 -25.5 14.9 214 508 A K T 4 S+ 0 0 192 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.867 134.5 21.8 -78.5 -43.2 30.2 -27.7 15.9 215 509 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.512 92.1-126.4-111.0 -8.7 31.8 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