==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 22-NOV-10 3PO5 . COMPND 2 MOLECULE: DNA POLYMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 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 9.7 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 . 25 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 40.9 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 3 2 2 2 1 0 1 2 0 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 1 295 A E 0 0 159 0, 0.0 37,-2.2 0, 0.0 2,-1.2 0.000 360.0 360.0 360.0 -33.3 50.1 -59.4 -19.8 2 296 A E E -a 38 0A 161 35,-0.2 37,-0.2 37,-0.1 35,-0.1 -0.554 360.0-177.8 -75.9 97.3 52.6 -56.6 -20.3 3 297 A A E -a 39 0A 23 -2,-1.2 37,-0.5 35,-1.0 2,-0.2 -0.534 30.1 -96.1 -92.2 160.7 52.4 -55.8 -24.0 4 298 A P E -a 40 0A 106 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.519 55.6 -73.8 -78.2 141.3 54.6 -53.2 -25.9 5 299 A W S S+ 0 0 39 35,-0.5 35,-0.1 -2,-0.2 26,-0.0 -0.520 101.8 62.7 -67.6 141.5 53.4 -49.7 -26.5 6 300 A P S S- 0 0 82 0, 0.0 34,-0.1 0, 0.0 3,-0.1 0.474 79.8-140.6 -82.5 170.3 51.4 -48.7 -28.4 7 301 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.514 30.4 -80.8 -91.3 160.2 48.1 -50.4 -27.3 8 302 A P > - 0 0 31 0, 0.0 3,-0.6 0, 0.0 25,-0.1 -0.286 63.8 -88.5 -54.4 144.4 45.3 -51.9 -29.4 9 303 A E T 3 S+ 0 0 133 1,-0.2 42,-0.1 -3,-0.1 0, 0.0 -0.266 111.5 26.1 -60.4 140.0 43.0 -49.2 -30.7 10 304 A G T 3 S+ 0 0 32 1,-0.2 -1,-0.2 43,-0.1 2,-0.2 0.829 87.9 150.0 77.4 34.0 40.1 -48.3 -28.4 11 305 A A < - 0 0 10 -3,-0.6 2,-0.4 -4,-0.1 23,-0.2 -0.513 52.2 -96.7 -95.1 166.2 41.8 -49.3 -25.2 12 306 A F E -B 33 0A 17 21,-2.6 21,-1.6 -2,-0.2 2,-0.3 -0.706 40.0-141.6 -87.8 130.7 41.3 -47.9 -21.7 13 307 A V E -B 32 0A 7 42,-2.8 44,-0.3 -2,-0.4 2,-0.3 -0.653 17.7-175.1 -98.3 141.4 43.9 -45.3 -20.6 14 308 A G E +B 31 0A 2 17,-2.2 17,-2.2 -2,-0.3 2,-0.3 -0.895 12.5 169.8-121.4 160.2 45.5 -44.7 -17.3 15 309 A F E -B 30 0A 11 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.934 25.7-137.3-169.9 145.3 47.8 -41.8 -16.4 16 310 A V E -B 29 0A 13 13,-1.9 12,-1.5 -2,-0.3 13,-1.3 -0.921 17.8-160.7-112.5 134.3 49.6 -40.1 -13.5 17 311 A L E -B 27 0A 33 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.783 24.9-132.9-109.2 154.5 49.7 -36.4 -13.1 18 312 A S S S+ 0 0 64 8,-1.7 2,-0.3 -2,-0.3 9,-0.1 0.665 94.3 5.2 -77.5 -18.2 52.2 -34.4 -11.0 19 313 A R S S- 0 0 109 7,-0.3 -1,-0.2 2,-0.1 6,-0.1 -0.977 81.1-102.2-160.5 161.9 49.1 -32.4 -9.7 20 314 A K S S+ 0 0 131 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.1 0.848 95.6 83.0 -55.5 -43.4 45.3 -32.4 -10.0 21 315 A E >> - 0 0 27 1,-0.2 3,-1.4 3,-0.1 4,-0.9 -0.540 65.0-157.1 -75.6 110.4 45.0 -29.5 -12.4 22 316 A P T 34 S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.831 92.4 55.1 -53.4 -39.2 45.5 -30.8 -16.0 23 317 A M T 34 S+ 0 0 8 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.708 118.3 34.7 -69.1 -21.0 46.6 -27.3 -17.3 24 318 A W T <4 S+ 0 0 66 -3,-1.4 -1,-0.2 -5,-0.1 2,-0.2 0.416 100.3 105.4-108.7 -0.3 49.3 -27.1 -14.7 25 319 A A < - 0 0 3 -4,-0.9 2,-0.4 -3,-0.5 -5,-0.0 -0.526 61.5-137.0 -93.6 146.7 50.4 -30.8 -14.5 26 320 A D - 0 0 73 -2,-0.2 -8,-1.7 1,-0.0 2,-1.2 -0.807 29.6-122.7 -87.6 137.0 53.3 -32.7 -15.8 27 321 A L E +B 17 0A 3 -2,-0.4 18,-0.2 -10,-0.2 -10,-0.2 -0.723 35.5 176.8 -84.1 95.8 52.3 -36.0 -17.4 28 322 A L E + 0 0 94 -12,-1.5 2,-0.3 -2,-1.2 -1,-0.2 0.894 60.0 2.3 -69.2 -44.4 54.3 -38.4 -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 54.8-166.6-150.8 154.3 53.1 -41.7 -16.7 30 324 A L E +B 15 0A 3 11,-0.4 11,-2.3 -2,-0.3 2,-0.3 -0.998 17.3 157.4-146.1 131.1 50.8 -43.1 -19.4 31 325 A A E -BC 14 40A 0 -17,-2.2 -17,-2.2 -2,-0.4 2,-0.3 -0.908 19.0-151.5-147.5 173.0 49.5 -46.6 -19.9 32 326 A A E -BC 13 39A 1 7,-1.1 7,-2.8 -2,-0.3 2,-0.4 -0.968 2.1-156.4-150.0 161.8 46.6 -48.5 -21.6 33 327 A A E +BC 12 38A 0 -21,-1.6 -21,-2.6 -2,-0.3 2,-0.3 -0.966 23.9 141.6-150.6 124.0 44.6 -51.7 -21.2 34 328 A R E > + C 0 37A 116 3,-0.8 3,-0.6 -2,-0.4 -23,-0.1 -0.937 67.3 13.3-161.6 141.6 42.6 -53.9 -23.5 35 329 A G T 3 S- 0 0 58 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.884 131.6 -55.8 60.0 41.0 42.1 -57.6 -24.0 36 330 A G T 3 S+ 0 0 43 1,-0.2 2,-0.3 77,-0.1 -1,-0.2 0.798 113.7 122.8 61.5 29.8 43.7 -58.4 -20.7 37 331 A R E < - C 0 34A 129 -3,-0.6 -3,-0.8 -35,-0.1 2,-0.4 -0.854 51.0-151.5-118.1 157.0 46.8 -56.5 -21.8 38 332 A V E -aC 2 33A 8 -37,-2.2 -35,-1.0 -2,-0.3 2,-0.7 -0.964 8.4-169.0-131.1 116.0 48.6 -53.6 -20.2 39 333 A H E -aC 3 32A 4 -7,-2.8 -7,-1.1 -2,-0.4 2,-0.6 -0.872 3.2-168.4-108.6 103.0 50.6 -51.2 -22.5 40 334 A R E -aC 4 31A 98 -2,-0.7 -35,-0.5 -37,-0.5 -9,-0.2 -0.798 22.4-128.2 -90.6 123.8 52.9 -48.8 -20.6 41 335 A A - 0 0 13 -11,-2.3 -11,-0.4 -2,-0.6 5,-0.0 -0.501 4.6-140.8 -73.8 136.2 54.3 -46.0 -22.8 42 336 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.919 95.5 20.9 -63.4 -46.0 58.1 -45.5 -22.7 43 337 A E S > S- 0 0 88 1,-0.1 4,-2.8 -14,-0.0 5,-0.2 -0.951 76.0-151.1-127.6 111.8 57.8 -41.7 -22.9 44 338 A P H > S+ 0 0 18 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.861 93.9 43.9 -47.6 -56.2 54.4 -40.3 -21.8 45 339 A Y H > S+ 0 0 51 -18,-0.2 4,-0.6 1,-0.2 3,-0.4 0.898 116.0 48.7 -60.6 -42.3 54.3 -37.1 -23.9 46 340 A K H >4 S+ 0 0 115 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.933 110.5 51.3 -60.6 -45.7 55.6 -39.0 -26.9 47 341 A A H >< S+ 0 0 2 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.674 92.8 75.4 -68.5 -19.2 53.0 -41.7 -26.4 48 342 A L H >< S+ 0 0 2 -4,-1.1 3,-1.2 -3,-0.4 -1,-0.3 0.829 86.9 61.9 -63.9 -31.8 50.2 -39.2 -26.2 49 343 A R T << S+ 0 0 118 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.759 91.2 68.1 -65.2 -24.1 50.3 -38.7 -30.0 50 344 A D T < S+ 0 0 76 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.3 0.274 85.0 91.9 -83.7 12.7 49.4 -42.3 -30.6 51 345 A L < - 0 0 34 -3,-1.2 3,-0.1 1,-0.1 -42,-0.0 -0.826 49.3-171.4-112.2 147.7 45.9 -41.9 -29.2 52 346 A K S S+ 0 0 126 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.598 80.4 3.4-106.6 -20.0 42.6 -41.0 -31.1 53 347 A E S S- 0 0 58 20,-0.2 2,-0.4 2,-0.0 -1,-0.4 -0.904 70.5-117.4-164.4 137.5 40.5 -40.5 -27.9 54 348 A A B +d 75 0B 1 20,-1.8 22,-2.5 -2,-0.3 2,-0.4 -0.644 38.0 178.3 -73.0 128.3 41.0 -40.5 -24.2 55 349 A R + 0 0 41 -2,-0.4 -42,-2.8 -44,-0.2 2,-0.3 -0.913 36.5 46.5-141.5 108.4 38.9 -43.4 -22.8 56 350 A G S > S- 0 0 1 21,-1.7 3,-1.3 -2,-0.4 24,-0.2 -0.963 92.9 -13.0 153.6-171.3 38.9 -44.1 -19.0 57 351 A L T 3 S+ 0 0 4 -44,-0.3 58,-0.1 54,-0.3 -2,-0.1 -0.373 129.5 5.7 -61.8 132.8 38.7 -42.6 -15.6 58 352 A L T 3> S+ 0 0 49 3,-0.1 4,-1.5 -2,-0.1 3,-0.3 0.857 78.9 162.4 62.2 38.4 39.1 -38.8 -15.7 59 353 A A H <> + 0 0 4 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.875 67.0 59.7 -54.3 -43.7 39.1 -38.8 -19.5 60 354 A K H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 103.0 52.1 -54.7 -47.0 38.4 -35.0 -19.6 61 355 A D H > S+ 0 0 7 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.945 110.6 45.2 -56.6 -53.5 41.5 -34.2 -17.6 62 356 A L H X S+ 0 0 1 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.893 114.7 51.0 -59.6 -36.2 43.9 -36.1 -19.9 63 357 A S H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 10,-0.4 0.838 106.6 52.9 -70.9 -34.6 42.2 -34.6 -22.9 64 358 A V H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.868 110.5 48.3 -65.0 -38.7 42.5 -31.1 -21.5 65 359 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.864 111.1 49.7 -72.2 -37.2 46.3 -31.7 -21.1 66 360 A A H ><>S+ 0 0 0 -4,-2.0 5,-1.5 1,-0.2 3,-0.9 0.924 109.7 51.9 -62.6 -44.3 46.5 -33.1 -24.6 67 361 A L H ><5S+ 0 0 32 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.843 105.5 55.3 -62.1 -33.7 44.7 -30.0 -25.9 68 362 A R H 3<5S+ 0 0 35 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.771 105.4 53.7 -68.8 -25.4 47.2 -27.8 -24.0 69 363 A E T <<5S- 0 0 40 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.193 124.6-101.7 -97.2 14.1 49.9 -29.6 -25.9 70 364 A G T < 5S+ 0 0 69 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.129 84.1 126.8 89.4 -20.7 48.4 -28.9 -29.3 71 365 A L < - 0 0 34 -5,-1.5 2,-1.6 -6,-0.2 -1,-0.3 -0.574 57.4-141.8 -76.3 126.1 46.9 -32.4 -29.7 72 366 A G + 0 0 70 -2,-0.4 -1,-0.1 -3,-0.1 -5,-0.1 -0.582 40.0 157.9 -86.2 76.9 43.2 -32.5 -30.5 73 367 A L - 0 0 7 -2,-1.6 -6,-0.2 -10,-0.4 -20,-0.2 -0.890 27.3-151.3-109.4 107.3 42.4 -35.6 -28.4 74 368 A P - 0 0 52 0, 0.0 -20,-1.8 0, 0.0 2,-0.2 -0.459 16.2-114.9 -81.7 147.5 38.7 -35.8 -27.3 75 369 A P B +d 54 0B 9 0, 0.0 -20,-0.2 0, 0.0 70,-0.2 -0.565 39.7 172.3 -77.0 144.7 37.4 -37.4 -24.2 76 370 A G + 0 0 5 -22,-2.5 -20,-0.1 1,-0.5 -17,-0.1 -0.141 46.6 1.0-123.6-142.1 35.2 -40.5 -24.7 77 371 A D - 0 0 21 -2,-0.1 -21,-1.7 -22,-0.1 -1,-0.5 -0.128 60.5-173.2 -47.0 143.5 33.7 -43.1 -22.4 78 372 A D >> - 0 0 13 -23,-0.2 4,-1.2 -3,-0.1 3,-1.1 -0.923 25.7-149.7-144.1 118.2 34.4 -42.5 -18.7 79 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.781 99.2 65.6 -55.5 -24.1 33.5 -45.0 -15.9 80 374 A M H 3> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 97.9 50.5 -65.7 -39.6 33.2 -41.9 -13.7 81 375 A L H <> S+ 0 0 2 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.859 111.5 49.3 -67.1 -35.6 30.2 -40.6 -15.7 82 376 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 3,-0.4 0.962 112.0 46.2 -67.2 -53.8 28.4 -43.9 -15.4 83 377 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 7,-0.3 0.893 111.1 54.6 -53.7 -41.8 29.0 -44.3 -11.7 84 378 A Y H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 107.5 49.7 -64.5 -34.5 27.8 -40.7 -11.3 85 379 A L H < S+ 0 0 1 -4,-1.5 339,-0.6 -3,-0.4 -1,-0.2 0.847 110.2 50.2 -73.9 -34.9 24.6 -41.4 -13.1 86 380 A L H < S- 0 0 23 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.947 138.3 -5.1 -63.1 -49.1 23.9 -44.5 -11.0 87 381 A D >< - 0 0 22 -4,-2.5 3,-2.7 -5,-0.2 -1,-0.3 -0.893 61.7-148.9-152.4 110.6 24.4 -42.5 -7.8 88 382 A P T 3 S+ 0 0 4 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.587 93.9 77.2 -65.4 -5.6 25.6 -38.9 -7.8 89 383 A S T 3 S+ 0 0 75 1,-0.1 2,-1.5 -6,-0.1 3,-0.2 0.551 70.3 93.9 -76.3 -6.1 27.4 -39.6 -4.5 90 384 A N < + 0 0 8 -3,-2.7 -1,-0.1 -7,-0.3 -3,-0.1 -0.658 45.1 140.2 -83.2 83.9 30.0 -41.3 -6.7 91 385 A T + 0 0 61 -2,-1.5 -1,-0.2 183,-0.1 182,-0.1 0.406 52.2 54.3-106.6 -0.7 32.2 -38.3 -7.0 92 386 A T > - 0 0 46 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.966 67.0-134.4-145.3 146.2 35.6 -39.9 -6.7 93 387 A P H > S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.862 111.4 54.9 -68.7 -38.2 37.9 -42.6 -8.2 94 388 A E H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 10,-0.2 0.962 115.1 39.3 -52.2 -55.2 38.8 -43.7 -4.7 95 389 A G H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 118.4 46.5 -63.9 -44.6 35.1 -44.2 -3.9 96 390 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.931 111.9 48.7 -70.1 -49.4 34.0 -45.6 -7.2 97 391 A A H ><>S+ 0 0 1 -4,-2.4 5,-1.7 1,-0.2 3,-0.8 0.961 113.4 47.8 -50.7 -57.7 36.9 -48.1 -7.6 98 392 A R H ><5S+ 0 0 203 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.892 112.7 50.2 -51.2 -43.0 36.3 -49.4 -4.1 99 393 A R H 3<5S+ 0 0 120 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.748 118.0 35.7 -73.5 -25.3 32.5 -49.6 -4.7 100 394 A Y T <<5S- 0 0 9 -4,-1.7 -1,-0.2 -3,-0.8 -2,-0.2 -0.028 125.6 -77.2-128.2 31.7 32.7 -51.6 -8.0 101 395 A G T < 5S+ 0 0 58 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.920 91.6 89.2 87.0 49.3 35.7 -53.9 -7.6 102 396 A G < - 0 0 15 -5,-1.7 2,-0.3 -8,-0.1 -1,-0.3 -0.856 61.6-119.6-154.6-170.3 38.9 -52.1 -8.0 103 397 A E - 0 0 133 -2,-0.3 2,-0.7 7,-0.2 11,-0.1 -0.930 21.2-133.2-148.4 113.4 41.7 -50.1 -6.3 104 398 A W + 0 0 49 -2,-0.3 2,-0.1 -10,-0.2 7,-0.1 -0.583 41.3 178.6 -74.3 110.7 42.6 -46.5 -7.2 105 399 A T - 0 0 28 -2,-0.7 -1,-0.0 2,-0.2 -11,-0.0 -0.246 43.5-119.1-107.6-174.6 46.4 -46.6 -7.5 106 400 A E S S+ 0 0 143 -2,-0.1 2,-0.4 -90,-0.1 3,-0.1 0.123 86.1 92.9-111.9 16.1 49.3 -44.3 -8.2 107 401 A E > - 0 0 55 1,-0.1 4,-1.9 -92,-0.1 -2,-0.2 -0.944 69.1-144.5-114.0 131.8 50.4 -46.4 -11.2 108 402 A A H > S+ 0 0 1 -2,-0.4 4,-1.8 1,-0.2 -77,-0.2 0.849 100.8 52.5 -60.3 -36.5 49.2 -45.5 -14.7 109 403 A G H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.960 110.3 44.0 -66.0 -54.2 49.1 -49.2 -15.6 110 404 A E H > S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.794 113.6 54.5 -62.2 -28.9 47.0 -50.4 -12.7 111 405 A R H X S+ 0 0 24 -4,-1.9 4,-1.4 2,-0.2 -54,-0.3 0.845 107.8 48.8 -70.3 -37.0 44.8 -47.3 -13.4 112 406 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 -3,-0.2 -2,-0.2 0.888 113.6 45.4 -69.6 -40.5 44.3 -48.4 -17.0 113 407 A A H X S+ 0 0 16 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.835 111.8 53.4 -70.5 -32.0 43.4 -51.9 -15.9 114 408 A L H X S+ 0 0 1 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.834 106.4 53.8 -67.8 -32.7 41.2 -50.4 -13.3 115 409 A S H X S+ 0 0 1 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.880 109.1 47.8 -69.2 -39.3 39.5 -48.4 -16.1 116 410 A E H X S+ 0 0 55 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.962 116.7 39.7 -67.1 -54.4 38.8 -51.5 -18.1 117 411 A R H X S+ 0 0 126 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.927 114.6 53.3 -62.3 -47.8 37.3 -53.6 -15.3 118 412 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.860 108.7 49.8 -57.5 -39.4 35.4 -50.7 -13.8 119 413 A F H X S+ 0 0 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129 423 A E <> + 0 0 61 -3,-2.1 4,-1.4 1,-0.2 5,-0.1 -0.722 44.5 167.4-118.9 80.1 18.3 -48.0 -17.2 130 424 A E H > S+ 0 0 138 -2,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.810 76.2 48.2 -69.3 -32.7 17.3 -46.5 -20.5 131 425 A R H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 114.2 46.7 -75.4 -37.6 16.7 -42.9 -19.3 132 426 A L H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.743 112.0 52.8 -69.8 -25.6 20.1 -42.9 -17.5 133 427 A L H X S+ 0 0 11 -4,-1.4 4,-1.6 2,-0.2 5,-0.2 0.817 106.2 52.9 -79.1 -31.4 21.6 -44.4 -20.7 134 428 A W H X S+ 0 0 91 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.896 109.4 48.7 -68.9 -42.1 20.0 -41.5 -22.7 135 429 A L H X>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 4,-1.8 0.904 109.7 52.8 -63.1 -42.0 21.6 -38.9 -20.3 136 430 A Y H <>S+ 0 0 0 -4,-1.5 5,-2.5 3,-0.2 -1,-0.2 0.864 120.6 29.9 -65.6 -37.6 25.0 -40.6 -20.6 137 431 A R H <5S+ 0 0 105 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.826 127.6 38.4 -90.0 -35.8 25.2 -40.7 -24.4 138 432 A E H <5S+ 0 0 93 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.654 134.7 7.8 -94.8 -18.2 23.2 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38.9 -12.6 18.9 196 490 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -7,-0.2 -1,-0.2 0.928 104.4 55.9 -58.2 -45.4 36.2 -10.6 17.2 197 491 A E H X>S+ 0 0 16 -4,-2.0 4,-2.4 1,-0.2 5,-0.6 0.893 106.6 48.5 -57.8 -45.4 33.6 -12.5 19.3 198 492 A R H X>S+ 0 0 134 -4,-1.8 5,-1.9 1,-0.2 4,-1.6 0.931 112.2 50.1 -60.6 -45.7 35.2 -11.6 22.6 199 493 A V H <>S+ 0 0 2 -4,-1.9 5,-1.4 3,-0.2 -2,-0.2 0.928 116.8 38.9 -59.0 -48.9 35.4 -8.0 21.6 200 494 A L H <5S+ 0 0 0 -4,-2.7 6,-1.4 3,-0.2 -2,-0.2 0.962 128.8 25.0 -69.2 -52.5 31.7 -7.7 20.5 201 495 A F H <5S+ 0 0 18 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.806 132.0 29.9 -93.4 -33.0 29.9 -9.8 23.1 202 496 A D T < - 0 0 38 5,-2.4 4,-0.9 -2,-0.3 -1,-0.0 -0.413 33.2-120.9 -78.6 157.8 27.8 -21.6 15.5 213 507 A E T 4 S+ 0 0 174 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.910 97.7 29.8 -72.4 -49.1 26.8 -25.1 14.4 214 508 A K T 4 S+ 0 0 192 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.815 135.4 19.4 -87.1 -32.3 29.7 -27.4 15.4 215 509 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.334 92.8-128.8-124.8 1.5 31.2 -25.8 18.4 216 510 A G < + 0 0 32 -4,-0.9 2,-0.2 1,-0.1 -3,-0.1 0.802 48.1 156.0 53.7 40.5 28.4 -23.5 19.6 217 511 A K - 0 0 65 1,-0.1 -5,-2.4 -6,-0.0 2,-0.4 -0.502 58.6 -83.9 -83.1 162.6 30.3 -20.2 19.9 218 512 A R B -H 211 0E 62 -7,-0.2 -7,-0.3 -2,-0.2 2,-0.1 -0.591 55.4-122.3 -66.9 121.9 28.5 -16.9 19.6 219 513 A S - 0 0 18 -9,-2.9 -9,-0.2 -2,-0.4 -10,-0.2 -0.389 29.0-175.5 -73.8 140.6 28.2 -16.2 15.9 220 514 A T + 0 0 6 -2,-0.1 -1,-0.1 -12,-0.1 5,-0.1 -0.045 38.9 143.2-115.9 27.4 29.6 -13.1 14.3 221 515 A S > - 0 0 48 1,-0.1 4,-2.1 3,-0.1 5,-0.1 -0.016 68.2-100.3 -66.3 175.9 28.2 -14.0 10.9 222 516 A A H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 122.4 54.1 -66.6 -42.6 26.8 -11.4 8.5 223 517 A A H > S+ 0 0 69 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.942 110.8 45.7 -56.0 -51.6 23.2 -12.1 9.5 224 518 A V H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.887 114.4 49.2 -56.7 -42.2 24.0 -11.6 13.2 225 519 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 103.4 57.5 -71.1 -38.4 25.9 -8.4 12.4 226 520 A E H < S+ 0 0 98 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.774 107.2 51.4 -63.7 -25.0 23.2 -6.8 10.2 227 521 A A H < S+ 0 0 70 -4,-1.0 3,-0.4 -3,-0.3 -1,-0.2 0.864 109.0 49.4 -75.9 -38.5 20.9 -7.2 13.2 228 522 A L S X S+ 0 0 5 -4,-1.3 4,-0.7 1,-0.2 3,-0.4 0.279 80.4 111.3 -81.9 10.3 23.5 -5.5 15.5 229 523 A R T >4 S+ 0 0 99 -3,-0.5 3,-0.8 1,-0.3 7,-0.4 0.926 83.9 33.7 -51.4 -55.5 23.8 -2.6 12.9 230 524 A E T 34 S+ 0 0 184 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.647 104.0 77.5 -77.4 -15.7 22.2 0.1 15.1 231 525 A A T 34 S- 0 0 59 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.682 111.7 -3.2 -70.6 -19.6 23.5 -1.4 18.3 232 526 A H XX - 0 0 49 -3,-0.8 3,-0.9 -4,-0.7 4,-0.7 -0.891 59.1-126.5-172.7 140.9 27.0 0.0 17.8 233 527 A P H 3> S+ 0 0 81 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.700 105.3 67.3 -64.5 -20.9 29.0 2.0 15.1 234 528 A I H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.833 89.6 63.8 -69.3 -33.6 31.7 -0.7 15.1 235 529 A V H <> S+ 0 0 0 -3,-0.9 4,-2.1 -7,-0.2 3,-0.5 0.937 99.8 51.3 -56.9 -50.4 29.4 -3.3 13.5 236 530 A E H X S+ 0 0 68 -4,-0.7 4,-1.9 -7,-0.4 -1,-0.2 0.912 109.9 49.6 -54.6 -46.0 28.9 -1.3 10.3 237 531 A K H X S+ 0 0 69 -4,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.806 109.4 52.9 -64.7 -30.4 32.7 -0.9 9.9 238 532 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.5 -1,-0.2 0.845 105.5 53.5 -74.0 -35.3 33.1 -4.7 10.4 239 533 A L H X S+ 0 0 26 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.922 112.8 44.1 -63.9 -43.4 30.6 -5.5 7.7 240 534 A Q H X S+ 0 0 75 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.902 112.9 50.9 -67.9 -42.1 32.5 -3.4 5.3 241 535 A Y H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.861 109.4 52.6 -63.3 -37.0 35.9 -4.8 6.4 242 536 A R H X S+ 0 0 73 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.919 110.6 46.1 -63.5 -46.5 34.5 -8.3 5.9 243 537 A E H X S+ 0 0 59 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.911 114.5 47.7 -64.8 -43.4 33.4 -7.6 2.4 244 538 A L H X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 114.9 42.9 -67.5 -43.5 36.6 -5.9 1.4 245 539 A T H X S+ 0 0 25 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.737 112.0 56.3 -78.6 -23.1 39.0 -8.6 2.8 246 540 A 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