==== 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 3RRG . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID . 535 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 70.7 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 9.7 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 41.5 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 2 2 4 2 2 2 1 0 1 1 0 0 1 1 1 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 . 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 1 294 A L 0 0 180 0, 0.0 2,-0.4 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 24.5 47.7 -58.1 -16.6 2 295 A E - 0 0 88 2,-0.0 37,-1.6 35,-0.0 2,-1.5 -0.986 360.0-122.6-126.5 139.6 50.2 -58.9 -19.4 3 296 A E E +a 39 0A 123 -2,-0.4 37,-0.2 35,-0.1 35,-0.0 -0.601 43.0 168.1 -84.4 86.2 53.3 -57.0 -20.2 4 297 A A E -a 40 0A 9 35,-2.0 37,-0.6 -2,-1.5 2,-0.1 -0.784 37.3-104.4-100.3 144.0 52.8 -56.1 -23.9 5 298 A P E -a 41 0A 110 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.343 52.4 -73.7 -67.3 141.4 55.0 -53.5 -25.7 6 299 A W S S+ 0 0 40 35,-0.6 35,-0.0 -2,-0.1 33,-0.0 -0.466 97.5 64.2 -65.7 145.1 53.7 -50.0 -26.5 7 300 A P S S- 0 0 78 0, 0.0 34,-0.1 0, 0.0 25,-0.0 0.505 74.5-140.2 -89.5 167.6 51.8 -48.9 -28.4 8 301 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.417 26.2 -94.3 -82.9 160.9 48.3 -50.4 -27.5 9 302 A P - 0 0 42 0, 0.0 3,-0.5 0, 0.0 25,-0.1 -0.300 59.6 -72.9 -68.1 159.0 45.7 -51.6 -30.0 10 303 A E S S+ 0 0 173 1,-0.2 42,-0.0 42,-0.1 0, 0.0 -0.180 116.2 21.9 -50.8 141.9 42.9 -49.2 -31.1 11 304 A G S S+ 0 0 43 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.881 84.0 152.6 68.0 43.1 40.3 -48.5 -28.4 12 305 A A - 0 0 16 -3,-0.5 44,-0.5 23,-0.1 2,-0.3 -0.757 48.5-106.7-102.8 152.1 42.2 -49.4 -25.2 13 306 A F E -B 34 0A 22 21,-2.5 21,-2.3 -2,-0.3 2,-0.3 -0.567 36.0-142.2 -75.3 136.6 41.7 -47.9 -21.8 14 307 A V E -B 33 0A 4 42,-2.9 2,-0.4 -2,-0.3 44,-0.3 -0.768 14.6-167.1-105.1 145.9 44.3 -45.5 -20.6 15 308 A G E +B 32 0A 3 17,-2.3 17,-1.0 -2,-0.3 2,-0.3 -0.955 16.6 177.4-130.9 113.4 45.9 -45.0 -17.2 16 309 A F E -B 31 0A 10 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.809 20.2-147.4-117.1 154.5 47.9 -41.8 -16.7 17 310 A V E -B 30 0A 11 13,-2.0 12,-2.8 -2,-0.3 13,-1.2 -0.988 15.6-165.2-122.1 125.2 49.8 -40.3 -13.7 18 311 A L E -B 28 0A 31 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.721 27.5-129.7-105.0 158.1 50.0 -36.6 -13.3 19 312 A S S S+ 0 0 64 8,-1.8 2,-0.3 -2,-0.3 9,-0.1 0.705 93.9 5.2 -76.1 -21.2 52.3 -34.6 -11.0 20 313 A R S S- 0 0 114 7,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.978 81.0-102.2-159.5 162.2 49.3 -32.6 -9.7 21 314 A K S S+ 0 0 128 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.1 0.831 95.9 84.1 -62.4 -37.8 45.6 -32.6 -10.1 22 315 A E >> - 0 0 24 1,-0.2 3,-1.4 3,-0.1 4,-1.1 -0.573 63.9-160.2 -73.1 109.7 45.4 -29.6 -12.5 23 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.784 90.4 57.4 -58.9 -30.6 45.9 -31.0 -16.0 24 317 A M T 34 S+ 0 0 9 1,-0.2 -2,-0.1 244,-0.1 -3,-0.0 0.699 118.2 31.6 -76.0 -19.0 46.8 -27.6 -17.3 25 318 A W T <4 S+ 0 0 74 -3,-1.4 -1,-0.2 -5,-0.1 2,-0.2 0.436 100.5 110.2-111.7 -4.5 49.7 -27.2 -14.8 26 319 A A < - 0 0 2 -4,-1.1 2,-0.5 -6,-0.1 -5,-0.0 -0.445 60.5-136.8 -87.4 145.5 50.6 -30.9 -14.5 27 320 A D - 0 0 75 -2,-0.2 -8,-1.8 1,-0.0 2,-0.7 -0.830 28.5-124.4 -88.8 132.5 53.7 -32.8 -15.6 28 321 A L E +B 18 0A 3 -2,-0.5 18,-0.2 -10,-0.2 -10,-0.2 -0.723 33.5 175.7 -82.2 113.2 52.7 -36.1 -17.2 29 322 A L E + 0 0 91 -12,-2.8 2,-0.3 -2,-0.7 -11,-0.2 0.857 58.6 2.9 -90.8 -39.9 54.6 -38.8 -15.3 30 323 A A E -B 17 0A 31 -13,-1.2 -13,-2.0 14,-0.1 2,-0.4 -0.998 53.6-163.9-151.6 151.9 53.4 -42.1 -16.8 31 324 A L E +B 16 0A 2 11,-0.3 11,-2.7 -2,-0.3 2,-0.3 -1.000 17.8 159.9-140.2 133.4 51.1 -43.4 -19.5 32 325 A A E -BC 15 41A 0 -17,-1.0 -17,-2.3 -2,-0.4 2,-0.3 -0.957 18.0-152.8-149.0 164.6 49.7 -46.9 -20.1 33 326 A A E -BC 14 40A 1 7,-2.4 7,-3.2 -2,-0.3 2,-0.4 -0.979 0.8-157.6-144.0 154.8 46.9 -48.7 -21.8 34 327 A A E +BC 13 39A 1 -21,-2.3 -21,-2.5 -2,-0.3 2,-0.3 -0.986 19.1 156.8-140.1 125.4 44.8 -51.9 -21.4 35 328 A R S S+ 0 0 113 3,-1.7 -23,-0.1 -2,-0.4 3,-0.1 -0.986 71.7 8.1-149.2 135.6 42.9 -53.9 -24.1 36 329 A G S S- 0 0 70 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.959 133.2 -57.5 54.7 51.7 41.8 -57.5 -24.0 37 330 A G S S+ 0 0 41 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.849 112.8 122.9 48.4 43.7 43.0 -57.7 -20.4 38 331 A R - 0 0 109 -37,-0.2 -3,-1.7 -3,-0.1 2,-0.5 -0.998 51.1-143.7-140.1 136.7 46.5 -56.6 -21.4 39 332 A V E -aC 3 34A 7 -37,-1.6 -35,-2.0 -2,-0.4 2,-0.4 -0.860 10.9-172.2-110.0 130.1 48.6 -53.7 -20.2 40 333 A H E -aC 4 33A 4 -7,-3.2 -7,-2.4 -2,-0.5 2,-0.5 -0.952 8.7-156.8-114.5 136.1 51.1 -51.6 -22.3 41 334 A R E -aC 5 32A 91 -37,-0.6 -35,-0.6 -2,-0.4 -9,-0.2 -0.953 17.0-128.0-115.7 129.7 53.4 -49.1 -20.7 42 335 A A - 0 0 16 -11,-2.7 -11,-0.3 -2,-0.5 7,-0.0 -0.535 3.3-146.1 -77.4 133.5 54.8 -46.1 -22.7 43 336 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.935 95.9 17.0 -61.6 -48.7 58.6 -45.6 -22.7 44 337 A E S > S- 0 0 67 1,-0.1 4,-3.2 -14,-0.0 5,-0.2 -0.960 73.6-155.9-128.8 114.3 58.1 -41.8 -22.9 45 338 A P H > S+ 0 0 13 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.863 90.9 48.9 -57.0 -46.7 54.6 -40.5 -22.0 46 339 A Y H > S+ 0 0 46 -18,-0.2 4,-0.5 2,-0.2 3,-0.4 0.933 117.6 40.7 -62.2 -48.2 54.7 -37.2 -23.9 47 340 A K H >4 S+ 0 0 123 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.940 115.2 52.1 -62.4 -47.2 55.9 -38.8 -27.1 48 341 A A H >X S+ 0 0 2 -4,-3.2 3,-1.1 1,-0.3 4,-0.6 0.656 93.7 75.5 -64.3 -16.2 53.6 -41.8 -26.6 49 342 A L H >< S+ 0 0 2 -4,-1.0 3,-0.6 -3,-0.4 -1,-0.3 0.827 85.9 61.2 -67.1 -31.1 50.7 -39.4 -26.2 50 343 A R T << S+ 0 0 133 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.619 91.7 70.2 -71.4 -12.9 50.6 -38.7 -29.9 51 344 A D T <4 S+ 0 0 82 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.910 81.2 89.8 -67.7 -43.0 49.8 -42.4 -30.4 52 345 A L << - 0 0 33 -3,-0.6 3,-0.1 -4,-0.6 -42,-0.1 -0.133 52.8-167.3 -65.0 149.9 46.3 -42.2 -29.0 53 346 A K S S+ 0 0 147 1,-0.4 2,-0.3 21,-0.1 -1,-0.1 0.714 78.2 0.0-101.4 -34.1 43.2 -41.5 -31.1 54 347 A E S S- 0 0 88 20,-0.2 2,-0.9 2,-0.1 -1,-0.4 -0.986 72.3-114.4-154.1 150.6 40.9 -40.8 -28.1 55 348 A A B +d 76 0B 0 20,-2.6 22,-3.1 -2,-0.3 2,-0.5 -0.791 36.6 172.5 -93.8 105.7 41.2 -40.8 -24.3 56 349 A R + 0 0 47 -2,-0.9 -42,-2.9 -44,-0.5 2,-0.3 -0.961 37.3 59.3-112.9 122.1 39.0 -43.6 -22.8 57 350 A G S > S- 0 0 0 21,-2.2 3,-1.4 -2,-0.5 2,-0.2 -0.904 90.0 -23.9 153.6 179.4 39.4 -44.2 -19.1 58 351 A L T 3 S+ 0 0 4 -44,-0.3 58,-0.1 54,-0.3 21,-0.1 -0.400 129.3 3.8 -58.0 123.5 39.1 -42.9 -15.5 59 352 A L T >> S+ 0 0 53 -2,-0.2 4,-1.2 3,-0.1 3,-0.6 0.850 79.6 162.9 68.1 37.3 39.4 -39.1 -15.7 60 353 A A H <> + 0 0 2 -3,-1.4 4,-2.1 1,-0.2 3,-0.5 0.893 66.7 61.1 -52.5 -48.5 39.6 -39.0 -19.5 61 354 A K H 3> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.851 100.5 55.0 -49.3 -43.0 38.8 -35.2 -19.7 62 355 A D H <> S+ 0 0 9 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.914 109.3 45.8 -59.1 -45.4 41.9 -34.4 -17.7 63 356 A L H X S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.5 -1,-0.2 0.838 113.4 51.1 -67.8 -32.2 44.2 -36.3 -20.1 64 357 A S H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 10,-0.3 0.873 107.2 53.2 -71.1 -38.5 42.4 -34.6 -23.0 65 358 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.923 110.1 47.4 -60.4 -46.2 42.9 -31.2 -21.5 66 359 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.849 109.4 54.5 -66.0 -35.6 46.7 -31.8 -21.1 67 360 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.6 1,-0.2 3,-0.8 0.917 107.3 49.3 -63.2 -44.6 46.8 -33.0 -24.7 68 361 A L H ><5S+ 0 0 33 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.832 103.7 61.2 -63.2 -32.5 45.2 -29.8 -26.0 69 362 A R H 3<5S+ 0 0 44 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.822 107.0 45.9 -61.7 -30.7 47.7 -27.9 -24.0 70 363 A E T <<5S- 0 0 63 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.143 124.8-102.6-100.3 16.3 50.4 -29.6 -26.1 71 364 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.499 79.8 132.7 78.7 4.3 48.6 -28.9 -29.4 72 365 A L < - 0 0 33 -5,-2.6 2,-1.5 -6,-0.2 -1,-0.2 -0.774 54.0-141.8 -92.5 130.5 47.2 -32.5 -29.7 73 366 A G + 0 0 74 -2,-0.5 -1,-0.1 -3,-0.1 -9,-0.1 -0.473 41.0 154.2 -89.3 65.6 43.6 -32.9 -30.6 74 367 A L - 0 0 8 -2,-1.5 -6,-0.2 -10,-0.3 -20,-0.2 -0.833 29.2-154.5 -97.8 104.8 42.9 -36.0 -28.4 75 368 A P - 0 0 49 0, 0.0 -20,-2.6 0, 0.0 2,-0.2 -0.510 15.9-116.2 -82.0 146.2 39.2 -36.0 -27.5 76 369 A P B +d 55 0B 11 0, 0.0 -20,-0.2 0, 0.0 70,-0.2 -0.588 39.3 167.5 -79.5 141.3 37.8 -37.7 -24.3 77 370 A G + 0 0 7 -22,-3.1 -16,-0.1 1,-0.4 -20,-0.1 -0.027 47.0 11.1-120.9-132.8 35.5 -40.7 -24.7 78 371 A D + 0 0 20 -22,-0.1 -21,-2.2 -2,-0.1 -1,-0.4 -0.171 57.2 179.9 -51.3 133.9 34.2 -43.3 -22.3 79 372 A D >> - 0 0 15 -23,-0.2 3,-1.5 -3,-0.1 4,-1.0 -0.919 25.7-152.3-138.6 116.7 34.8 -42.7 -18.6 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 3,-0.4 0.811 97.8 67.6 -51.7 -32.6 33.6 -45.2 -16.0 81 374 A M H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.881 98.0 51.1 -54.2 -41.4 33.5 -42.2 -13.6 82 375 A L H <> S+ 0 0 4 -3,-1.5 4,-1.0 2,-0.2 -1,-0.3 0.800 111.8 47.4 -67.8 -29.8 30.6 -40.8 -15.7 83 376 A L H >X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.4 3,-0.5 0.945 112.3 47.6 -75.5 -50.5 28.8 -44.2 -15.5 84 377 A A H 3X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 7,-0.3 0.899 110.6 54.2 -53.5 -42.9 29.3 -44.5 -11.7 85 378 A Y H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.804 108.9 47.6 -64.5 -32.0 28.1 -40.9 -11.4 86 379 A L H << S+ 0 0 3 -4,-1.0 345,-0.5 -3,-0.5 -1,-0.2 0.819 111.0 50.9 -79.4 -33.9 24.9 -41.7 -13.3 87 380 A L H < S- 0 0 24 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.935 138.6 -6.6 -62.1 -47.9 24.2 -44.8 -11.2 88 381 A D >< - 0 0 22 -4,-2.5 3,-2.8 -5,-0.2 -1,-0.3 -0.856 61.0-146.5-156.7 110.6 24.7 -42.8 -8.0 89 382 A P T 3 S+ 0 0 9 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.486 95.4 76.4 -64.7 -0.1 25.9 -39.2 -7.9 90 383 A S T 3 S+ 0 0 75 -6,-0.2 2,-1.6 1,-0.1 3,-0.3 0.518 70.2 93.6 -83.4 -7.0 27.7 -39.9 -4.6 91 384 A N < + 0 0 8 -3,-2.8 -1,-0.1 -7,-0.3 -3,-0.1 -0.640 47.0 140.6 -81.9 81.9 30.3 -41.6 -6.8 92 385 A T + 0 0 59 -2,-1.6 -1,-0.2 183,-0.1 182,-0.1 0.757 54.0 42.0 -98.2 -30.2 32.5 -38.5 -7.1 93 386 A T > - 0 0 55 -3,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.859 69.2-129.1-124.4 155.1 36.0 -39.9 -6.9 94 387 A P H > S+ 0 0 12 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.855 110.5 59.1 -67.3 -37.4 38.0 -42.9 -8.3 95 388 A E H > S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 10,-0.2 0.950 113.7 38.4 -52.9 -50.0 39.2 -43.8 -4.8 96 389 A G H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.883 119.8 46.8 -68.6 -40.0 35.6 -44.2 -3.8 97 390 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.943 109.2 49.8 -72.2 -50.8 34.4 -45.8 -7.1 98 391 A A H <>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 3,-0.5 0.941 111.4 51.2 -53.2 -50.0 37.1 -48.4 -7.6 99 392 A R H ><5S+ 0 0 156 -4,-1.3 3,-0.8 -5,-0.4 -1,-0.2 0.901 111.2 48.8 -51.9 -44.8 36.6 -49.6 -4.0 100 393 A R H 3<5S+ 0 0 124 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.783 118.5 36.5 -70.8 -29.3 32.9 -49.9 -4.6 101 394 A Y T 3<5S- 0 0 9 -4,-1.9 -1,-0.2 -3,-0.5 -2,-0.2 0.008 126.7 -76.5-122.3 28.9 33.0 -51.8 -7.9 102 395 A G T < 5S+ 0 0 58 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.892 92.0 87.4 90.4 45.7 36.0 -54.2 -7.4 103 396 A G < - 0 0 13 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.896 61.5-120.4-154.3-175.8 39.3 -52.3 -7.8 104 397 A E - 0 0 130 -2,-0.3 2,-0.6 7,-0.2 11,-0.1 -0.931 24.1-130.3-141.8 113.2 42.0 -50.3 -6.1 105 398 A W - 0 0 44 -2,-0.4 2,-0.1 -10,-0.2 7,-0.1 -0.490 40.7-177.2 -67.0 112.1 42.9 -46.7 -7.2 106 399 A T - 0 0 28 -2,-0.6 -1,-0.1 2,-0.2 -11,-0.0 -0.239 39.7-124.3-103.6-173.3 46.7 -46.8 -7.5 107 400 A E S S+ 0 0 138 -2,-0.1 2,-0.3 -90,-0.1 -2,-0.1 0.275 83.6 92.0-114.8 4.4 49.5 -44.4 -8.3 108 401 A E S > S- 0 0 55 1,-0.1 4,-1.6 -92,-0.0 -2,-0.2 -0.799 74.3-134.4-102.9 146.4 50.8 -46.5 -11.3 109 402 A A H > S+ 0 0 2 -2,-0.3 4,-1.9 2,-0.2 -77,-0.3 0.861 102.0 47.3 -68.1 -39.7 49.7 -45.9 -14.8 110 403 A G H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.949 110.3 50.1 -68.6 -51.0 49.1 -49.5 -15.8 111 404 A E H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 113.0 49.3 -55.5 -37.1 47.1 -50.4 -12.7 112 405 A R H X S+ 0 0 26 -4,-1.6 4,-2.3 2,-0.2 -54,-0.3 0.876 109.9 51.0 -67.9 -39.1 45.0 -47.4 -13.4 113 406 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 -98,-0.2 -2,-0.2 0.906 114.5 42.8 -63.5 -42.3 44.6 -48.5 -17.0 114 407 A A H X S+ 0 0 17 -4,-3.0 4,-2.3 2,-0.2 5,-0.3 0.848 111.9 53.7 -73.1 -36.0 43.5 -51.9 -15.8 115 408 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.914 108.9 50.7 -60.8 -42.2 41.3 -50.5 -13.1 116 409 A S H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.770 110.2 51.4 -65.4 -28.1 39.7 -48.4 -15.9 117 410 A E H X S+ 0 0 34 -4,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.957 117.2 33.4 -75.2 -54.5 39.2 -51.5 -18.0 118 411 A R H X S+ 0 0 125 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.802 114.8 58.9 -73.8 -31.1 37.4 -53.8 -15.4 119 412 A L H X S+ 0 0 1 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.788 105.4 50.5 -70.1 -27.1 35.7 -50.9 -13.7 120 413 A F H X S+ 0 0 26 -4,-0.7 4,-2.3 -5,-0.2 -1,-0.2 0.823 109.1 51.2 -78.4 -33.9 34.0 -50.0 -17.1 121 414 A A H X S+ 0 0 67 -4,-1.1 4,-1.5 2,-0.2 5,-0.2 0.980 111.1 46.4 -63.9 -58.2 32.8 -53.6 -17.6 122 415 A N H X S+ 0 0 78 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.875 119.3 41.4 -50.1 -44.6 31.2 -53.9 -14.2 123 416 A L H X S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.905 107.5 56.1 -77.5 -45.3 29.5 -50.5 -14.5 124 417 A W H X S+ 0 0 72 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.797 108.6 51.5 -59.4 -29.4 28.3 -50.5 -18.1 125 418 A G H < S+ 0 0 44 -4,-1.5 3,-0.5 2,-0.2 -1,-0.2 0.864 103.8 55.8 -74.5 -38.4 26.4 -53.8 -17.3 126 419 A R H < S+ 0 0 135 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.751 107.3 53.4 -61.8 -23.1 24.8 -52.2 -14.3 127 420 A L H >< S+ 0 0 1 -4,-1.1 3,-2.1 2,-0.1 -1,-0.2 0.719 81.9 100.8 -87.5 -23.7 23.5 -49.6 -16.7 128 421 A E T 3< S+ 0 0 106 -4,-0.8 -3,-0.0 -3,-0.5 3,-0.0 -0.464 84.5 34.4 -62.8 131.2 22.0 -52.0 -19.2 129 422 A G T 3 S+ 0 0 76 -2,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.402 94.8 100.2 96.6 1.0 18.2 -52.0 -18.4 130 423 A E X> + 0 0 60 -3,-2.1 4,-2.0 1,-0.2 3,-0.7 -0.563 46.3 173.1-117.5 66.4 18.5 -48.3 -17.6 131 424 A E H 3> S+ 0 0 161 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.836 75.9 44.2 -35.5 -56.8 17.2 -46.7 -20.8 132 425 A R H 3> S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.808 110.6 51.9 -72.6 -32.4 17.1 -43.1 -19.5 133 426 A L H <> S+ 0 0 4 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.824 109.6 52.5 -70.4 -30.8 20.5 -43.1 -17.7 134 427 A L H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.859 106.0 53.1 -70.5 -36.9 22.0 -44.4 -21.0 135 428 A W H X S+ 0 0 97 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.882 110.3 47.9 -64.9 -38.7 20.4 -41.6 -22.9 136 429 A L H X>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 4,-1.7 0.916 112.3 49.2 -66.5 -43.1 22.0 -39.1 -20.4 137 430 A Y H <>S+ 0 0 0 -4,-2.1 5,-2.7 3,-0.2 -2,-0.2 0.914 121.3 33.9 -61.8 -43.9 25.4 -40.8 -20.7 138 431 A R H <5S+ 0 0 103 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.840 126.5 35.7 -81.8 -36.8 25.3 -40.8 -24.6 139 432 A E H <5S+ 0 0 98 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.603 134.3 9.7-100.0 -14.6 23.5 -37.6 -25.4 140 433 A V T X5S+ 0 0 2 -4,-1.7 4,-2.6 -5,-0.3 -3,-0.2 0.637 124.0 39.7-126.3 -64.0 24.7 -35.3 -22.6 141 434 A E H >> S+ 0 0 43 0, 0.0 4,-1.4 0, 0.0 3,-1.1 0.924 112.5 57.3 -56.2 -44.0 29.7 -35.5 -25.4 144 437 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.844 95.1 65.1 -55.1 -36.9 29.8 -32.8 -22.7 145 438 A S H 3X S+ 0 0 3 -4,-2.2 4,-1.7 -3,-0.4 -1,-0.3 0.874 102.6 49.0 -56.5 -37.0 33.1 -34.1 -21.4 146 439 A A H + 0 0 58 145,-2.5 4,-1.8 -2,-0.4 5,-0.2 -0.659 32.6 176.2 -87.0 84.9 43.4 -7.8 -16.9 160 453 A V H > S+ 0 0 35 -2,-1.4 4,-2.8 1,-0.2 5,-0.2 0.918 73.9 50.4 -58.5 -52.9 46.4 -8.3 -14.5 161 454 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 109.2 54.5 -56.4 -38.2 47.6 -4.7 -14.2 162 455 A Y H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 111.5 42.9 -61.7 -45.1 44.1 -3.6 -13.5 163 456 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.876 110.5 57.1 -68.3 -37.9 43.8 -6.1 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2.5 174 467 A I H X S+ 0 0 18 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.921 107.2 49.3 -68.1 -44.1 41.2 -2.0 4.5 175 468 A A H X S+ 0 0 59 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.822 111.1 54.0 -61.1 -30.5 43.9 -0.2 6.5 176 469 A R H X S+ 0 0 139 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.959 109.9 42.0 -70.3 -54.3 41.3 2.6 7.0 177 470 A L H X S+ 0 0 8 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.863 113.2 55.7 -60.6 -37.0 38.5 0.4 8.4 178 471 A E H X S+ 0 0 68 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.916 106.8 48.7 -63.2 -44.9 40.9 -1.5 10.5 179 472 A A H X S+ 0 0 58 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.883 114.0 46.9 -62.6 -39.8 42.2 1.6 12.2 180 473 A E H X S+ 0 0 64 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.913 111.7 50.2 -69.5 -43.7 38.7 2.8 12.9 181 474 A V H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 6,-0.2 0.943 110.5 50.0 -58.2 -49.8 37.6 -0.6 14.2 182 475 A F H >X>S+ 0 0 40 -4,-2.7 5,-1.2 1,-0.2 3,-0.9 0.917 111.3 49.8 -54.0 -46.1 40.6 -0.7 16.5 183 476 A R H ><5S+ 0 0 155 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.957 109.0 49.6 -58.8 -54.2 39.7 2.8 17.8 184 477 A L H 3<5S+ 0 0 44 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.557 115.5 47.4 -62.2 -7.6 36.1 1.9 18.4 185 478 A A H <<5S- 0 0 14 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.394 105.7-128.5-113.7 -2.2 37.5 -1.1 20.3 186 479 A G T <<5S+ 0 0 71 -3,-1.9 -3,-0.2 -4,-0.5 -4,-0.1 0.426 82.0 38.8 72.1 -2.1 40.1 0.8 22.3 187 480 A H S - 0 0 79 -2,-0.3 3,-1.5 1,-0.2 7,-0.3 -0.670 40.9-169.5 -74.8 102.3 43.4 -9.7 14.7 191 484 A L T 3 S+ 0 0 5 -2,-1.1 -1,-0.2 1,-0.3 6,-0.0 0.667 86.3 59.4 -68.8 -16.2 40.2 -8.6 13.0 192 485 A N T 3 S+ 0 0 107 -3,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.578 85.4 93.5 -84.6 -13.1 40.5 -11.7 10.7 193 486 A S <> - 0 0 28 -3,-1.5 4,-2.0 1,-0.2 5,-0.1 -0.755 61.6-162.9 -85.0 115.8 40.4 -13.9 13.8 194 487 A R H > S+ 0 0 69 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.836 89.6 51.7 -66.0 -34.7 36.8 -14.9 14.4 195 488 A D H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 110.0 46.4 -70.3 -45.1 37.6 -15.9 18.0 196 489 A Q H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.877 111.7 53.2 -65.7 -37.9 39.3 -12.7 18.9 197 490 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -7,-0.3 5,-0.2 0.888 105.5 54.4 -62.8 -40.7 36.4 -10.7 17.3 198 491 A E H X>S+ 0 0 17 -4,-1.7 4,-2.4 1,-0.2 5,-0.7 0.916 106.8 50.0 -60.2 -46.1 33.9 -12.7 19.4 199 492 A R H X>S+ 0 0 125 -4,-1.7 5,-2.9 1,-0.2 4,-0.8 0.831 114.5 46.4 -61.6 -33.3 35.6 -11.8 22.7 200 493 A V H <>S+ 0 0 2 -4,-1.4 5,-3.1 3,-0.2 -2,-0.2 0.913 116.0 41.7 -76.9 -45.2 35.6 -8.1 21.6 201 494 A L H <5S+ 0 0 0 -4,-2.8 6,-1.0 3,-0.2 -2,-0.2 0.926 131.4 21.1 -68.7 -45.4 32.0 -7.9 20.4 202 495 A F H <5S+ 0 0 14 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.763 134.1 29.6-101.3 -30.1 30.3 -9.8 23.2 203 496 A D T < - 0 0 39 5,-2.8 4,-1.2 -2,-0.3 -1,-0.0 -0.554 29.4-120.5 -84.1 149.9 28.0 -21.9 15.7 214 507 A E T 4 S+ 0 0 171 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.904 98.5 27.5 -56.8 -56.0 27.0 -25.4 14.6 215 508 A K T 4 S+ 0 0 192 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.889 132.1 23.3 -81.0 -43.1 30.0 -27.6 15.7 216 509 A T T 4 S- 0 0 98 2,-0.1 -2,-0.1 0, 0.0 -1,-0.1 0.557 91.7-124.3-110.3 -12.9 31.7 -25.9 18.6 217 510 A G < + 0 0 38 -4,-1.2 -3,-0.1 1,-0.2 2,-0.1 0.697 54.3 152.9 76.5 19.4 28.9 -23.8 20.2 218 511 A K - 0 0 77 1,-0.1 -5,-2.8 -6,-0.1 2,-0.5 -0.390 58.5 -91.3 -71.8 157.9 30.8 -20.5 20.0 219 512 A R B -I 212 0E 59 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.638 50.7-120.9 -72.0 122.0 28.9 -17.2 19.7 220 513 A S - 0 0 18 -9,-2.4 -9,-0.3 -2,-0.5 -10,-0.3 -0.322 28.3-174.8 -68.9 142.5 28.5 -16.6 16.0 221 514 A T + 0 0 3 -12,-0.1 -1,-0.1 -11,-0.1 5,-0.1 -0.038 38.6 145.7-118.4 26.8 29.9 -13.4 14.4 222 515 A S > - 0 0 45 1,-0.1 4,-2.2 3,-0.1 3,-0.4 -0.083 66.5-104.8 -63.3 163.7 28.4 -14.2 11.0 223 516 A A H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.912 122.6 56.2 -53.8 -45.9 27.0 -11.6 8.6 224 517 A A H > S+ 0 0 75 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.869 109.6 45.8 -56.2 -39.4 23.5 -12.7 9.6 225 518 A V H > S+ 0 0 12 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.864 114.6 47.6 -71.5 -37.0 24.3 -12.0 13.2 226 519 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.914 104.4 56.4 -73.7 -45.1 26.0 -8.6 12.5 227 520 A 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121.3 35.9 -67.2 -37.8 7.3 -30.2 -13.3 330 623 A S H < S- 0 0 15 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.911 93.6-136.3 -84.8 -47.2 4.3 -29.3 -11.1 331 624 A G < + 0 0 19 -4,-1.7 2,-0.2 -5,-0.4 -3,-0.1 0.534 35.6 172.2 99.1 10.7 1.8 -28.3 -13.7 332 625 A D > - 0 0 3 -6,-0.3 4,-2.6 -5,-0.2 -1,-0.2 -0.351 23.6-154.8 -59.3 119.3 0.6 -25.2 -11.9 333 626 A E H > S+ 0 0 107 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.932 91.8 47.6 -60.7 -50.9 -1.8 -23.3 -14.1 334 627 A N H > S+ 0 0 40 69,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.835 114.4 47.4 -63.6 -33.8 -1.3 -19.9 -12.6 335 628 A L H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.945 114.4 45.4 -71.6 -49.9 2.5 -20.3 -12.6 336 629 A I H X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.915 108.7 58.1 -56.3 -45.3 2.5 -21.5 -16.3 337 630 A R H X S+ 0 0 105 -4,-3.2 4,-3.0 1,-0.2 6,-0.3 0.857 102.1 56.0 -55.1 -38.4 0.2 -18.7 -17.2 338 631 A V H <>S+ 0 0 1 -4,-1.2 5,-2.2 -3,-0.3 4,-0.3 0.974 114.5 35.6 -59.1 -57.9 2.7 -16.2 -15.9 339 632 A F H <5S+ 0 0 3 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 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