==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 06-FEB-12 4DLG . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID,B.HOLZBERGER . 540 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 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 . 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 . 29 5.4 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 . 223 41.3 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 1 1 1 2 4 3 2 0 0 2 1 0 0 1 2 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 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 . 4 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 2 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 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 0 159 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 4.3 47.6 -60.3 -14.5 2 294 A L - 0 0 60 1,-0.1 2,-0.5 37,-0.1 37,-0.2 -0.372 360.0-105.2 -68.6 145.1 47.3 -58.4 -17.8 3 295 A E E -a 39 0A 121 35,-2.4 37,-2.3 1,-0.1 2,-0.3 -0.595 34.2-124.5 -75.0 119.2 49.8 -59.2 -20.6 4 296 A E E +a 40 0A 151 -2,-0.5 37,-0.2 35,-0.2 -1,-0.1 -0.491 35.9 179.5 -68.8 123.0 52.4 -56.5 -20.9 5 297 A A E -a 41 0A 16 35,-3.2 37,-0.6 -2,-0.3 34,-0.0 -0.954 28.8-104.7-128.0 145.1 52.6 -55.1 -24.5 6 298 A P - 0 0 109 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.256 56.9 -62.3 -66.7 153.4 54.7 -52.4 -26.0 7 299 A W S S+ 0 0 40 35,-0.5 35,-0.1 2,-0.0 36,-0.0 -0.470 99.7 55.1 -72.7 147.6 53.3 -48.9 -26.9 8 300 A P - 0 0 76 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.584 67.8-151.7 -92.1 162.8 51.2 -47.9 -28.7 9 301 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.453 29.1 -95.0 -83.4 162.5 47.9 -49.7 -28.0 10 302 A P > - 0 0 73 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.258 56.2 -76.3 -70.0 167.2 45.1 -50.3 -30.6 11 303 A E T 3 S+ 0 0 140 1,-0.2 42,-0.1 42,-0.1 0, 0.0 -0.351 115.0 37.1 -67.6 144.2 42.2 -47.9 -31.0 12 304 A G T 3 S+ 0 0 17 1,-0.3 -1,-0.2 43,-0.1 2,-0.1 0.451 81.7 146.5 95.3 3.1 39.5 -48.0 -28.4 13 305 A A < - 0 0 11 -3,-1.0 44,-0.5 23,-0.1 2,-0.4 -0.402 53.5-112.6 -74.7 148.0 41.8 -48.7 -25.5 14 306 A F E -Bc 35 57A 17 21,-2.3 21,-2.3 -2,-0.1 44,-0.2 -0.690 35.8-137.5 -82.0 129.1 41.1 -47.4 -22.0 15 307 A V E -B 34 0A 2 42,-4.0 2,-0.4 -2,-0.4 44,-0.3 -0.544 17.0-167.8 -93.3 150.3 43.7 -44.9 -20.9 16 308 A G E +B 33 0A 2 17,-3.3 17,-2.7 -2,-0.2 2,-0.3 -0.999 14.7 167.7-135.3 135.0 45.4 -44.4 -17.6 17 309 A F E -B 32 0A 9 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.983 24.6-145.0-148.0 154.5 47.5 -41.4 -16.6 18 310 A V E -B 31 0A 12 13,-1.9 12,-1.8 -2,-0.3 13,-1.1 -0.986 15.4-159.3-125.6 127.3 49.1 -39.7 -13.6 19 311 A L E -B 29 0A 31 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.779 22.8-135.9-105.5 149.2 49.4 -36.0 -13.0 20 312 A S S S+ 0 0 63 8,-1.0 2,-0.3 -2,-0.3 -1,-0.1 0.788 94.5 10.9 -69.8 -28.4 51.8 -34.0 -10.8 21 313 A R S S- 0 0 115 2,-0.1 -1,-0.1 7,-0.1 5,-0.1 -0.966 81.2-108.6-147.3 162.9 48.8 -31.9 -9.6 22 314 A K S S+ 0 0 127 -2,-0.3 5,-0.1 -3,-0.1 3,-0.0 0.767 94.9 85.6 -66.2 -27.9 45.0 -32.0 -9.9 23 315 A E >> - 0 0 22 1,-0.2 3,-1.8 3,-0.1 4,-1.2 -0.674 64.0-159.9 -81.6 111.6 44.8 -29.0 -12.3 24 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.764 91.3 57.6 -62.1 -27.7 45.3 -30.4 -15.9 25 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 -3,-0.0 0.566 120.4 29.2 -79.1 -8.9 46.3 -26.9 -17.2 26 318 A W T <4 S+ 0 0 77 -3,-1.8 -1,-0.2 -5,-0.1 2,-0.1 0.375 100.0 110.0-125.6 -2.7 49.1 -26.8 -14.6 27 319 A A < - 0 0 3 -4,-1.2 2,-0.6 -6,-0.1 -5,-0.1 -0.398 60.8-135.3 -82.5 152.4 49.9 -30.5 -14.3 28 320 A D - 0 0 72 -2,-0.1 2,-1.2 -7,-0.0 -8,-1.0 -0.939 25.7-124.4-104.1 118.5 53.0 -32.4 -15.6 29 321 A L E +B 19 0A 2 -2,-0.6 18,-0.2 1,-0.2 -10,-0.2 -0.462 35.6 176.0 -65.0 95.7 52.0 -35.6 -17.3 30 322 A L E - 0 0 92 -12,-1.8 2,-0.3 -2,-1.2 -1,-0.2 0.912 60.6 -0.2 -71.1 -45.3 54.1 -38.0 -15.2 31 323 A A E -B 18 0A 33 -13,-1.1 -13,-1.9 -3,-0.1 2,-0.3 -0.992 56.9-162.7-148.7 152.8 53.0 -41.3 -16.8 32 324 A L E +B 17 0A 2 11,-0.4 11,-2.5 -2,-0.3 2,-0.3 -0.998 18.3 156.8-138.6 141.0 50.7 -42.6 -19.5 33 325 A A E -BD 16 42A 0 -17,-2.7 -17,-3.3 -2,-0.3 2,-0.3 -0.969 18.4-154.8-155.8 168.1 49.3 -46.1 -20.1 34 326 A A E -BD 15 41A 0 7,-1.9 7,-3.5 -2,-0.3 2,-0.4 -0.992 2.8-155.6-150.0 154.6 46.4 -48.0 -21.8 35 327 A A E +BD 14 40A 0 -21,-2.3 -21,-2.3 -2,-0.3 2,-0.3 -0.997 23.8 144.0-138.0 133.8 44.6 -51.3 -21.5 36 328 A R E > + D 0 39A 102 3,-2.2 3,-0.8 -2,-0.4 -23,-0.1 -0.906 62.2 7.8-167.5 136.5 42.7 -53.4 -24.0 37 329 A G T 3 S- 0 0 53 -2,-0.3 3,-0.1 1,-0.3 -24,-0.0 0.848 128.8 -51.4 62.1 39.2 42.0 -57.0 -24.9 38 330 A G T 3 S+ 0 0 40 1,-0.3 -35,-2.4 -36,-0.1 2,-0.3 0.675 118.7 109.5 73.2 17.3 43.8 -58.5 -21.8 39 331 A R E < -aD 3 36A 121 -3,-0.8 -3,-2.2 -37,-0.2 2,-0.4 -0.916 53.4-153.8-126.2 152.2 46.8 -56.4 -22.6 40 332 A V E -aD 4 35A 9 -37,-2.3 -35,-3.2 -2,-0.3 2,-0.6 -0.991 5.3-160.5-128.5 133.0 48.5 -53.3 -21.0 41 333 A H E -aD 5 34A 11 -7,-3.5 -7,-1.9 -2,-0.4 2,-0.5 -0.939 3.9-163.3-118.6 113.9 50.6 -50.8 -22.8 42 334 A R E - D 0 33A 101 -37,-0.6 -35,-0.5 -2,-0.6 -9,-0.2 -0.830 19.6-128.5 -98.9 130.7 53.0 -48.5 -20.8 43 335 A A - 0 0 18 -11,-2.5 -11,-0.4 -2,-0.5 4,-0.1 -0.608 6.5-155.2 -81.8 127.8 54.3 -45.4 -22.5 44 336 A P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.902 94.2 20.3 -64.5 -42.4 58.1 -44.8 -22.4 45 337 A E S > S- 0 0 82 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.940 73.8-158.9-132.0 109.1 57.6 -41.1 -22.8 46 338 A P H > S+ 0 0 16 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.862 88.7 50.1 -55.7 -46.7 54.1 -39.8 -21.8 47 339 A Y H 4 S+ 0 0 51 -18,-0.2 3,-0.4 2,-0.2 4,-0.4 0.924 115.7 40.2 -62.4 -48.9 54.2 -36.5 -23.8 48 340 A K H >4 S+ 0 0 158 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.890 114.2 54.4 -66.1 -39.4 55.3 -38.1 -27.1 49 341 A A H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.3 4,-0.4 0.669 90.8 75.5 -70.4 -17.2 53.0 -41.1 -26.6 50 342 A L G >< S+ 0 0 2 -4,-1.0 3,-0.7 -3,-0.4 -1,-0.3 0.756 86.7 62.8 -66.0 -23.8 50.1 -38.7 -26.1 51 343 A R G < S+ 0 0 117 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.697 92.3 65.2 -72.7 -19.9 50.1 -38.1 -29.9 52 344 A D G < S+ 0 0 69 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.2 0.700 83.9 89.8 -78.5 -20.4 49.3 -41.8 -30.5 53 345 A L < - 0 0 25 -3,-0.7 3,-0.1 -4,-0.4 -42,-0.1 -0.557 53.0-168.2 -83.2 141.8 45.9 -41.7 -28.9 54 346 A K S S+ 0 0 124 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.768 75.5 3.0 -94.8 -34.1 42.8 -40.9 -31.0 55 347 A E S S- 0 0 79 20,-0.2 2,-0.8 -42,-0.1 -1,-0.3 -0.978 72.0-113.6-148.8 160.2 40.4 -40.4 -28.0 56 348 A A B +e 77 0B 0 20,-2.5 22,-3.5 -2,-0.3 2,-0.5 -0.848 35.7 174.9-101.9 105.2 40.6 -40.5 -24.2 57 349 A R B +c 14 0A 34 -2,-0.8 -42,-4.0 -44,-0.5 2,-0.3 -0.943 40.3 40.5-111.3 125.9 38.6 -43.4 -22.7 58 350 A G S > S- 0 0 0 21,-3.1 3,-1.0 -2,-0.5 24,-0.2 -0.878 92.8 -7.9 139.8-170.4 38.7 -44.0 -19.0 59 351 A L T 3 S+ 0 0 3 -44,-0.3 -42,-0.2 54,-0.3 58,-0.1 -0.354 127.4 1.9 -62.8 134.0 38.6 -42.4 -15.6 60 352 A L T 3> S+ 0 0 45 1,-0.1 4,-1.3 -2,-0.1 3,-0.4 0.885 78.7 164.8 55.5 44.5 38.9 -38.6 -15.6 61 353 A A H <> + 0 0 1 -3,-1.0 4,-1.5 1,-0.2 -2,-0.1 0.807 68.3 58.1 -61.6 -32.3 39.0 -38.6 -19.4 62 354 A K H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 100.7 55.4 -66.4 -40.6 38.2 -34.8 -19.6 63 355 A D H > S+ 0 0 14 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.885 108.7 47.0 -61.4 -41.1 41.3 -33.9 -17.5 64 356 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.849 110.7 54.0 -67.8 -33.9 43.6 -35.7 -19.9 65 357 A S H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 10,-0.3 0.863 105.9 51.8 -67.9 -37.6 41.8 -34.0 -22.8 66 358 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.911 110.5 47.7 -65.6 -43.0 42.4 -30.6 -21.3 67 359 A L H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.847 111.7 52.0 -65.2 -34.4 46.1 -31.3 -21.0 68 360 A A H <>S+ 0 0 0 -4,-1.7 5,-2.9 2,-0.2 3,-0.3 0.909 108.7 48.6 -68.0 -43.7 46.1 -32.6 -24.6 69 361 A L H ><5S+ 0 0 40 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.831 106.7 58.5 -63.5 -32.7 44.5 -29.4 -25.8 70 362 A R H 3<5S+ 0 0 44 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.842 105.7 48.6 -64.0 -34.3 47.1 -27.5 -23.9 71 363 A E T 3<5S- 0 0 48 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.250 125.8-103.5 -90.6 11.8 49.8 -29.2 -25.9 72 364 A G T < 5S+ 0 0 69 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.788 77.4 138.1 73.1 29.4 48.0 -28.4 -29.1 73 365 A L < - 0 0 31 -5,-2.9 2,-1.5 -8,-0.1 -1,-0.2 -0.904 54.7-136.4-111.8 135.1 46.6 -31.9 -29.5 74 366 A G + 0 0 75 -2,-0.4 -5,-0.1 -3,-0.1 -9,-0.0 -0.618 45.2 150.1 -87.9 79.6 43.0 -32.8 -30.6 75 367 A L - 0 0 4 -2,-1.5 -6,-0.2 -10,-0.3 -20,-0.2 -0.842 29.2-159.6-116.7 93.0 42.3 -35.5 -28.2 76 368 A P - 0 0 61 0, 0.0 -20,-2.5 0, 0.0 2,-0.2 -0.445 19.6-117.4 -73.5 142.6 38.5 -35.7 -27.4 77 369 A P B +e 56 0B 11 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.565 38.0 171.2 -78.6 143.4 37.3 -37.4 -24.2 78 370 A G + 0 0 7 -22,-3.5 -21,-0.1 1,-0.4 2,-0.1 0.173 47.7 10.0-118.3-124.3 35.1 -40.4 -24.6 79 371 A D - 0 0 21 -18,-0.1 -21,-3.1 3,-0.0 -1,-0.4 -0.392 59.4-177.4 -65.6 134.4 33.7 -43.0 -22.2 80 372 A D >> - 0 0 12 -23,-0.2 4,-1.2 -2,-0.1 3,-1.2 -0.952 24.5-153.4-138.5 116.0 34.3 -42.2 -18.5 81 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.763 96.8 66.2 -56.8 -28.2 33.3 -44.6 -15.7 82 374 A M H 3> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.876 101.2 48.1 -60.7 -38.8 33.0 -41.5 -13.4 83 375 A L H <> S+ 0 0 3 -3,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.840 110.2 52.2 -70.9 -34.5 30.1 -40.3 -15.5 84 376 A L H X S+ 0 0 0 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.928 113.9 42.0 -65.3 -46.5 28.5 -43.7 -15.3 85 377 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 7,-0.3 0.832 109.5 58.6 -70.8 -33.7 28.7 -43.9 -11.5 86 378 A Y H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.813 106.4 48.4 -67.3 -31.1 27.7 -40.3 -11.1 87 379 A L H < S+ 0 0 1 -4,-1.2 348,-0.6 -3,-0.2 -1,-0.2 0.829 111.5 49.4 -77.1 -34.1 24.4 -40.9 -12.9 88 380 A L H < S- 0 0 20 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.878 138.5 -5.5 -68.3 -38.8 23.7 -44.0 -10.8 89 381 A D >< - 0 0 19 -4,-2.3 3,-2.3 3,-0.1 -1,-0.3 -0.809 57.5-149.8-162.2 113.3 24.4 -42.0 -7.7 90 382 A P T 3 S+ 0 0 5 0, 0.0 -4,-0.1 0, 0.0 189,-0.1 0.583 93.7 78.4 -62.0 -11.2 25.7 -38.4 -7.5 91 383 A S T 3 S+ 0 0 76 -6,-0.1 2,-1.3 1,-0.1 3,-0.3 0.702 72.1 90.2 -70.4 -19.7 27.4 -39.3 -4.2 92 384 A N < + 0 0 9 -3,-2.3 -3,-0.1 -7,-0.3 -1,-0.1 -0.664 46.5 134.8 -76.7 94.7 30.1 -40.9 -6.5 93 385 A T + 0 0 55 -2,-1.3 -1,-0.2 1,-0.1 182,-0.2 0.586 51.0 62.2-118.7 -19.7 32.3 -37.9 -6.9 94 386 A T > - 0 0 60 -3,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.888 69.4-136.1-118.2 143.3 35.8 -39.3 -6.4 95 387 A P H > S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.804 108.3 57.9 -62.5 -29.3 37.8 -41.9 -8.4 96 388 A E H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 10,-0.3 0.908 111.1 40.4 -65.9 -43.9 38.9 -43.4 -5.0 97 389 A G H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.884 114.6 51.1 -73.1 -40.9 35.3 -44.0 -4.0 98 390 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 111.4 47.3 -64.2 -45.4 34.0 -45.1 -7.3 99 391 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.899 113.9 48.6 -62.2 -41.9 36.8 -47.7 -7.7 100 392 A R H < S+ 0 0 196 -4,-1.5 4,-0.2 -5,-0.2 3,-0.2 0.876 117.4 41.3 -65.0 -38.9 36.2 -49.0 -4.2 101 393 A R H < S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.833 123.0 35.7 -80.8 -34.3 32.5 -49.2 -4.7 102 394 A Y H < S- 0 0 8 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.175 128.9 -66.1-113.6 17.2 32.4 -50.7 -8.2 103 395 A G S < S+ 0 0 37 -4,-0.7 2,-0.3 1,-0.3 -3,-0.2 0.845 92.3 38.9 103.5 88.2 35.4 -53.0 -8.2 104 396 A G - 0 0 29 -4,-0.2 2,-0.4 -5,-0.2 -1,-0.3 -0.886 69.2 -86.6 144.9-173.2 39.0 -51.9 -7.9 105 397 A E - 0 0 129 -2,-0.3 2,-1.0 7,-0.1 11,-0.1 -0.991 23.9-132.0-139.7 129.1 41.5 -49.5 -6.3 106 398 A W + 0 0 33 -2,-0.4 2,-0.1 -10,-0.3 7,-0.1 -0.688 43.2 166.6 -80.2 104.1 42.6 -46.0 -7.3 107 399 A T - 0 0 27 -2,-1.0 -1,-0.0 2,-0.2 -11,-0.0 -0.172 47.6-104.3-104.4-162.3 46.4 -46.1 -7.1 108 400 A E S S+ 0 0 138 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.015 85.0 97.7-117.3 25.2 49.2 -43.9 -8.3 109 401 A E > - 0 0 54 1,-0.1 4,-2.1 -92,-0.1 -2,-0.2 -0.968 64.3-144.9-120.8 130.7 50.4 -46.0 -11.3 110 402 A A H > S+ 0 0 2 -2,-0.4 4,-2.0 1,-0.2 -77,-0.2 0.877 99.5 51.3 -60.3 -44.1 49.3 -45.3 -14.9 111 403 A G H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 112.3 46.7 -62.0 -39.7 49.1 -48.9 -15.9 112 404 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.843 111.1 52.1 -71.6 -34.3 47.0 -49.9 -13.0 113 405 A R H X S+ 0 0 19 -4,-2.1 4,-2.1 2,-0.2 -54,-0.3 0.836 109.4 50.3 -69.6 -33.4 44.7 -46.9 -13.6 114 406 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -79,-0.3 0.913 112.6 45.4 -69.2 -44.3 44.3 -47.9 -17.2 115 407 A A H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.845 112.7 53.0 -66.0 -34.6 43.4 -51.5 -16.2 116 408 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.911 106.4 51.7 -66.3 -44.3 41.1 -50.0 -13.5 117 409 A S H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.896 111.7 46.5 -60.7 -43.1 39.3 -47.8 -16.1 118 410 A E H X S+ 0 0 48 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.908 116.2 45.2 -64.6 -43.1 38.6 -50.8 -18.4 119 411 A R H X S+ 0 0 124 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.873 113.9 48.1 -70.9 -39.2 37.5 -53.0 -15.5 120 412 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.866 108.5 54.8 -69.3 -37.6 35.2 -50.3 -13.9 121 413 A F H X S+ 0 0 27 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.906 105.8 51.8 -63.2 -43.3 33.6 -49.4 -17.3 122 414 A A H X S+ 0 0 69 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.908 115.3 40.8 -61.2 -44.5 32.5 -53.0 -17.9 123 415 A N H X S+ 0 0 66 -4,-1.4 4,-1.3 2,-0.2 3,-0.2 0.917 116.1 48.4 -71.2 -45.1 30.9 -53.4 -14.5 124 416 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.837 107.9 55.5 -65.2 -34.5 29.3 -49.9 -14.5 125 417 A W H < S+ 0 0 63 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.825 106.6 51.8 -67.3 -31.1 27.9 -50.4 -18.0 126 418 A G H >< S+ 0 0 35 -4,-1.0 3,-0.5 -3,-0.2 -1,-0.2 0.803 104.4 56.4 -73.0 -30.6 26.2 -53.6 -16.7 127 419 A R H 3< S+ 0 0 123 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 106.8 50.3 -69.3 -28.8 24.7 -51.6 -13.9 128 420 A L T >< S+ 0 0 0 -4,-1.1 3,-1.3 -5,-0.1 2,-0.6 0.510 79.1 116.8 -89.3 -6.4 23.1 -49.2 -16.4 129 421 A E T < S+ 0 0 140 -3,-0.5 3,-0.1 -4,-0.3 -3,-0.0 -0.523 86.5 18.4 -65.4 111.7 21.6 -52.0 -18.5 130 422 A G T 3 S+ 0 0 61 -2,-0.6 2,-1.8 1,-0.1 -1,-0.3 -0.092 96.6 105.0 114.3 -31.9 17.9 -51.4 -18.2 131 423 A E <> + 0 0 58 -3,-1.3 4,-2.1 1,-0.2 5,-0.2 -0.580 40.5 165.9 -80.7 79.8 18.2 -47.8 -17.0 132 424 A E H > S+ 0 0 130 -2,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.823 72.4 51.6 -69.4 -32.3 17.2 -46.3 -20.4 133 425 A R H > S+ 0 0 119 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.878 112.6 45.2 -71.2 -38.2 16.6 -42.8 -18.9 134 426 A L H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.854 111.5 53.1 -72.2 -35.7 20.1 -42.8 -17.3 135 427 A L H X S+ 0 0 10 -4,-2.1 4,-2.7 -7,-0.2 5,-0.2 0.842 106.4 53.7 -66.2 -34.5 21.7 -44.2 -20.5 136 428 A W H X S+ 0 0 99 -4,-1.5 4,-2.8 1,-0.2 5,-0.5 0.904 107.4 50.2 -66.2 -42.3 20.0 -41.3 -22.4 137 429 A L H X>S+ 0 0 0 -4,-1.5 5,-3.1 3,-0.2 4,-1.0 0.833 113.0 48.3 -63.5 -33.2 21.6 -38.8 -20.1 138 430 A Y H <>S+ 0 0 0 -4,-1.5 5,-2.4 3,-0.2 -2,-0.2 0.955 119.5 34.9 -71.8 -51.1 24.9 -40.4 -20.6 139 431 A R H <5S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.866 129.6 32.0 -72.8 -38.8 24.9 -40.6 -24.4 140 432 A E H <5S+ 0 0 98 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.659 134.9 11.8 -98.0 -18.6 23.0 -37.4 -25.1 141 433 A V T X5S+ 0 0 2 -4,-1.0 4,-1.9 -5,-0.5 -3,-0.2 0.691 121.8 37.7-121.3 -71.6 24.2 -35.2 -22.2 142 434 A E H >> S+ 0 0 43 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.832 110.6 60.7 -67.8 -29.0 29.3 -35.1 -25.2 145 437 A L H 3X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.845 93.6 63.4 -64.5 -35.0 29.4 -32.4 -22.6 146 438 A S H 3X S+ 0 0 4 -4,-1.6 4,-1.4 -3,-0.3 -1,-0.2 0.832 102.3 50.8 -58.9 -33.3 32.8 -33.6 -21.3 147 439 A A H + 0 0 60 145,-2.8 4,-1.4 -2,-0.4 5,-0.1 -0.624 34.3 174.2 -79.0 88.3 42.8 -7.4 -16.8 161 453 A V H > S+ 0 0 46 -2,-1.6 4,-2.3 1,-0.2 3,-0.2 0.924 72.9 53.6 -63.7 -48.6 45.7 -8.1 -14.4 162 454 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.821 106.7 54.3 -58.6 -33.6 47.0 -4.5 -14.2 163 455 A Y H > S+ 0 0 59 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 110.3 44.9 -66.5 -43.5 43.5 -3.3 -13.2 164 456 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.830 109.9 56.1 -70.8 -33.3 43.3 -5.7 -10.3 165 457 A R H X S+ 0 0 110 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.928 111.3 42.6 -62.8 -46.7 46.9 -4.9 -9.2 166 458 A A H X S+ 0 0 61 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.839 111.9 55.3 -69.1 -34.3 46.1 -1.2 -8.9 167 459 A L H X S+ 0 0 6 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.869 101.5 58.2 -66.3 -37.6 42.7 -2.0 -7.2 168 460 A S H X S+ 0 0 16 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.876 104.8 50.2 -59.9 -40.2 44.5 -4.0 -4.6 169 461 A L H X S+ 0 0 123 -4,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.849 112.9 46.8 -67.9 -35.2 46.6 -1.1 -3.5 170 462 A E H X S+ 0 0 94 -4,-1.3 4,-1.3 2,-0.2 3,-0.4 0.922 112.9 47.1 -72.8 -46.5 43.5 1.2 -3.3 171 463 A V H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.877 104.7 61.7 -63.7 -38.8 41.4 -1.3 -1.3 172 464 A A H X S+ 0 0 43 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.848 105.0 47.6 -56.9 -37.0 44.2 -2.0 1.1 173 465 A E H X S+ 0 0 129 -4,-0.9 4,-1.1 -3,-0.4 -1,-0.2 0.841 110.6 51.5 -73.3 -34.3 44.2 1.6 2.2 174 466 A E H X S+ 0 0 81 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.868 109.0 51.3 -68.4 -37.7 40.4 1.5 2.6 175 467 A I H X S+ 0 0 18 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.895 103.6 58.3 -64.9 -41.6 40.7 -1.6 4.8 176 468 A A H X S+ 0 0 42 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.823 103.4 52.9 -59.7 -33.9 43.3 0.1 7.0 177 469 A R H X S+ 0 0 145 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.859 111.1 46.1 -71.1 -36.6 40.8 2.9 7.9 178 470 A L H X S+ 0 0 5 -4,-1.1 4,-2.0 -3,-0.3 -2,-0.2 0.942 113.2 46.5 -71.9 -49.4 38.1 0.5 8.9 179 471 A E H X S+ 0 0 63 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.821 110.3 55.1 -64.3 -31.6 40.3 -1.8 11.1 180 472 A A H X S+ 0 0 59 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.864 109.7 45.8 -69.7 -36.5 41.9 1.2 12.8 181 473 A E H X S+ 0 0 61 -4,-1.2 4,-2.1 -3,-0.2 -2,-0.2 0.826 110.7 54.1 -74.6 -33.0 38.5 2.5 13.8 182 474 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 6,-0.2 0.919 108.2 48.9 -64.8 -44.4 37.4 -0.9 15.0 183 475 A F H X>S+ 0 0 50 -4,-2.1 4,-0.9 2,-0.2 5,-0.6 0.839 110.9 51.1 -65.5 -34.4 40.4 -1.2 17.2 184 476 A R H <5S+ 0 0 146 -4,-1.3 3,-0.3 2,-0.2 -1,-0.2 0.926 112.0 45.3 -68.1 -46.3 39.8 2.3 18.7 185 477 A L H <5S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.823 112.6 52.0 -66.9 -32.4 36.1 1.5 19.5 186 478 A A H <5S- 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.721 106.6-132.1 -74.4 -22.0 37.2 -1.9 20.9 187 479 A G T <5S+ 0 0 65 -4,-0.9 -3,-0.2 -3,-0.3 -4,-0.1 0.303 81.1 47.7 87.0 -8.9 39.7 -0.0 23.1 188 480 A H S - 0 0 76 -2,-0.3 3,-1.4 1,-0.2 7,-0.2 -0.665 42.0-175.3 -79.7 99.0 42.8 -10.2 15.1 192 484 A L T 3 S+ 0 0 4 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.742 81.7 63.3 -67.7 -23.2 39.7 -8.8 13.3 193 485 A N T 3 S+ 0 0 113 -3,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.649 87.7 85.9 -73.8 -15.4 39.8 -11.7 10.9 194 486 A S <> - 0 0 28 -3,-1.4 4,-1.9 1,-0.2 5,-0.1 -0.796 60.5-166.4 -92.2 115.2 39.3 -14.1 13.8 195 487 A R H > S+ 0 0 65 -2,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.767 89.5 58.1 -70.5 -25.5 35.6 -14.6 14.6 196 488 A D H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.948 110.1 41.1 -66.6 -50.0 36.6 -16.2 18.0 197 489 A Q H > S+ 0 0 80 1,-0.2 4,-1.6 -6,-0.2 -2,-0.2 0.833 115.4 52.7 -66.6 -32.8 38.5 -13.1 19.1 198 490 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 -7,-0.2 5,-0.3 0.835 102.5 59.0 -71.1 -33.6 35.7 -10.9 17.6 199 491 A E H X>S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 5,-0.6 0.888 106.4 48.1 -61.8 -40.8 33.1 -12.9 19.6 200 492 A R H X>S+ 0 0 134 -4,-1.4 5,-2.4 3,-0.2 4,-1.4 0.928 112.6 47.7 -65.1 -47.2 34.8 -12.0 22.9 201 493 A V H <>S+ 0 0 2 -4,-1.6 5,-2.8 3,-0.2 6,-0.2 0.931 117.9 39.4 -61.7 -48.9 35.1 -8.3 22.0 202 494 A L H <5S+ 0 0 0 -4,-2.4 6,-3.0 3,-0.2 -2,-0.2 0.942 129.7 23.3 -69.0 -50.5 31.5 -7.8 20.9 203 495 A F H <5S+ 0 0 13 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.829 132.1 31.2 -93.7 -35.8 29.5 -9.9 23.3 204 496 A D T < - 0 0 48 1,-0.1 4,-2.7 3,-0.0 3,-0.2 -0.147 66.6-106.1 -68.1 165.4 27.5 -13.5 10.8 224 516 A A H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.838 120.8 55.0 -61.9 -35.3 26.2 -10.7 8.7 225 517 A A H > S+ 0 0 78 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.863 112.0 43.7 -66.3 -36.7 22.6 -11.7 9.4 226 518 A V H >4 S+ 0 0 11 -3,-0.2 3,-0.6 1,-0.2 4,-0.4 0.911 115.8 46.5 -72.8 -44.5 23.3 -11.4 13.1 227 519 A L H >X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-0.8 0.702 96.6 76.7 -71.8 -20.2 25.3 -8.2 12.9 228 520 A E H 3< S+ 0 0 96 -4,-1.5 4,-0.5 1,-0.3 3,-0.3 0.867 93.3 48.8 -61.2 -39.7 22.7 -6.6 10.6 229 521 A A T << S+ 0 0 66 -3,-0.6 -1,-0.3 -4,-0.6 4,-0.2 0.685 117.1 44.1 -73.2 -17.1 20.2 -5.9 13.5 230 522 A L T <> S+ 0 0 10 -3,-0.8 4,-1.8 -4,-0.4 7,-0.3 0.579 92.4 83.4-100.1 -14.0 23.1 -4.3 15.4 231 523 A R T < S+ 0 0 67 -4,-1.2 7,-0.4 -3,-0.3 -2,-0.1 0.793 89.5 46.8 -68.5 -32.0 24.7 -2.3 12.6 232 524 A E T 4 S+ 0 0 173 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.815 115.8 43.4 -82.3 -30.9 22.4 0.8 12.8 233 525 A A T 4 S+ 0 0 74 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.778 117.0 47.4 -83.5 -28.8 22.5 1.3 16.6 234 526 A H X - 0 0 64 -4,-1.8 4,-1.2 1,-0.1 3,-0.3 -0.966 63.2-156.2-124.0 125.9 26.3 0.6 16.9 235 527 A P H > S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.842 93.2 59.9 -63.8 -38.2 29.0 2.2 14.7 236 528 A I H > S+ 0 0 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A I H >X S+ 0 0 26 -4,-1.9 4,-1.4 1,-0.2 3,-0.6 0.933 106.2 50.5 -66.5 -46.8 1.8 -21.8 -16.1 338 630 A R H 3X S+ 0 0 116 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.773 100.6 66.6 -62.9 -27.0 -0.6 -19.0 -17.2 339 631 A V H 3<>S+ 0 0 9 -4,-1.4 5,-1.9 1,-0.2 -1,-0.2 0.911 107.2 38.4 -60.0 -43.7 1.7 -16.6 -15.3 340 632 A F H <<5S+ 0 0 3 -4,-1.0 3,-0.3 -3,-0.6 -1,-0.2 0.728 109.4 61.9 -81.0 -23.2 4.5 -17.2 -17.7 341 633 A Q H <5S+ 0 0 125 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.765 106.8 46.2 -71.1 -25.5 2.2 -17.4 -20.7 342 634 A E T <5S- 0 0 138 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.498 119.1-114.1 -93.0 -7.1 1.2 -13.8 -20.0 343 635 A G T 5 + 0 0 51 -3,-0.3 -3,-0.2 -4,-0.2 2,-0.2 0.935 55.0 165.3 75.2 49.5 4.8 -12.8 -19.6 344 636 A R < - 0 0 102 -5,-1.9 2,-0.5 4,-0.0 -1,-0.2 -0.559 31.6-139.6 -94.3 161.3 4.9 -11.9 -15.9 345 637 A D > - 0 0 42 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.914 13.7-175.6-125.9 104.7 7.9 -11.4 -13.7 346 638 A I H > S+ 0 0 19 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.894 87.5 56.0 -63.5 -41.6 7.6 -12.8 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