==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 24-JUN-99 1QSY . COMPND 2 MOLECULE: 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(2DA))-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.LI,V.MITAXOV,G.WAKSMAN . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.0 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 . 27 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 1 4 3 1 1 0 1 2 1 0 2 1 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 3 2 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 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 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 0 153 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.6 -31.7 69.2 -0.0 2 294 A L - 0 0 75 37,-0.0 37,-0.2 2,-0.0 2,-0.1 -0.936 360.0-168.4-124.2 112.2 -28.1 69.1 1.4 3 295 A E E -a 39 0A 59 35,-2.3 37,-1.5 -2,-0.5 2,-0.4 -0.398 17.4-126.1 -89.3 171.3 -27.0 71.7 4.0 4 296 A E E -a 40 0A 148 35,-0.2 37,-0.2 -2,-0.1 35,-0.0 -0.974 25.4-179.6-126.2 125.1 -23.4 72.3 5.2 5 297 A A E -a 41 0A 33 35,-2.2 37,-0.8 -2,-0.4 2,-0.1 -0.797 39.7 -81.2-120.1 161.8 -22.3 72.3 8.8 6 298 A P E -a 42 0A 110 0, 0.0 37,-0.1 0, 0.0 35,-0.1 -0.381 60.0 -91.8 -62.1 134.3 -18.9 72.9 10.5 7 299 A W S S+ 0 0 13 35,-0.8 36,-0.1 -2,-0.1 -2,-0.1 0.564 95.0 103.0 -10.7 -72.8 -16.6 69.8 10.6 8 300 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 0.114 63.2-158.1 -30.4 88.9 -17.6 68.2 13.9 9 301 A P - 0 0 27 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.502 19.0-107.5 -78.5 141.1 -19.8 65.4 12.5 10 302 A P > - 0 0 60 0, 0.0 3,-0.6 0, 0.0 25,-0.1 -0.367 53.0 -82.1 -65.7 145.6 -22.4 63.6 14.7 11 303 A E T 3 S+ 0 0 94 1,-0.2 42,-0.1 42,-0.0 0, 0.0 -0.044 115.4 29.0 -45.5 150.2 -21.5 60.1 15.7 12 304 A G T 3 S+ 0 0 29 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.764 85.1 153.8 67.6 29.2 -22.2 57.5 13.1 13 305 A A < - 0 0 9 -3,-0.6 2,-0.6 42,-0.1 44,-0.5 -0.527 49.3-106.4 -89.3 157.4 -21.8 59.7 10.1 14 306 A F E -B 35 0A 12 21,-2.6 21,-2.3 -2,-0.2 44,-0.2 -0.740 36.3-138.2 -88.0 121.0 -20.9 58.6 6.6 15 307 A V E -B 34 0A 4 42,-2.0 44,-0.4 -2,-0.6 2,-0.3 -0.310 17.0-170.2 -76.4 156.1 -17.3 59.6 5.7 16 308 A G E +B 33 0A 2 17,-1.9 17,-2.9 42,-0.1 2,-0.3 -0.966 14.2 172.2-147.1 127.4 -16.1 60.9 2.3 17 309 A F E -B 32 0A 8 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.964 24.6-146.0-142.5 158.6 -12.5 61.3 1.4 18 310 A V E -B 31 0A 15 13,-2.2 12,-1.7 -2,-0.3 13,-1.3 -0.982 17.0-161.9-128.3 123.3 -10.1 62.1 -1.4 19 311 A L E -B 29 0A 30 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.693 27.3-131.6-103.1 154.2 -6.7 60.5 -1.8 20 312 A S S S+ 0 0 61 8,-1.2 2,-0.3 -2,-0.3 -1,-0.1 0.771 96.4 3.9 -71.4 -23.8 -3.7 61.7 -3.9 21 313 A R S S- 0 0 94 7,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.968 79.7-103.7-154.5 163.9 -3.5 58.1 -5.2 22 314 A K S S+ 0 0 124 -2,-0.3 3,-0.1 -3,-0.1 5,-0.0 0.722 93.7 90.9 -67.0 -22.0 -5.4 54.8 -4.9 23 315 A E >> - 0 0 30 1,-0.2 4,-2.1 2,-0.1 3,-1.4 -0.660 63.3-159.0 -81.3 110.5 -2.9 53.2 -2.6 24 316 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.883 91.0 54.3 -52.6 -44.4 -4.0 54.0 1.0 25 317 A M T 34 S+ 0 0 6 1,-0.2 -2,-0.1 244,-0.2 -3,-0.0 0.684 120.1 31.3 -65.5 -20.7 -0.5 53.4 2.4 26 318 A W T <4 S+ 0 0 78 -3,-1.4 -1,-0.2 -5,-0.1 -4,-0.1 0.534 97.2 110.0-113.5 -11.1 1.0 55.9 -0.0 27 319 A A < - 0 0 2 -4,-2.1 2,-0.5 -6,-0.1 -5,-0.1 -0.258 62.1-132.4 -72.0 153.2 -1.8 58.4 -0.4 28 320 A D - 0 0 70 -2,-0.0 2,-1.5 3,-0.0 -8,-1.2 -0.900 24.7-125.6-101.5 127.3 -2.0 62.0 0.9 29 321 A L E +B 19 0A 2 -2,-0.5 18,-0.3 1,-0.2 -10,-0.2 -0.625 39.4 169.3 -77.7 90.9 -5.3 62.7 2.6 30 322 A L E + 0 0 96 -12,-1.7 2,-0.3 -2,-1.5 -1,-0.2 0.840 61.8 11.4 -72.9 -37.7 -6.3 65.7 0.5 31 323 A A E -B 18 0A 29 -13,-1.3 -13,-2.2 -3,-0.2 2,-0.4 -0.999 56.1-176.5-148.6 143.2 -9.9 66.0 1.7 32 324 A L E +B 17 0A 3 11,-0.5 11,-2.4 -2,-0.3 2,-0.2 -0.993 18.0 152.5-140.5 129.5 -12.1 64.5 4.5 33 325 A A E -BC 16 42A 0 -17,-2.9 -17,-1.9 -2,-0.4 2,-0.3 -0.819 23.2-146.1-143.2-179.0 -15.9 65.2 5.0 34 326 A A E -BC 15 41A 0 7,-1.9 7,-3.1 -19,-0.3 2,-0.4 -0.991 1.8-150.6-155.1 152.2 -18.9 63.5 6.4 35 327 A A E +BC 14 40A 0 -21,-2.3 -21,-2.6 -2,-0.3 2,-0.3 -0.993 26.3 147.8-131.2 130.3 -22.7 63.3 5.8 36 328 A R E > - C 0 39A 91 3,-2.1 3,-2.1 -2,-0.4 2,-1.3 -0.974 62.7 -3.6-158.8 144.8 -25.4 62.7 8.3 37 329 A G T 3 S- 0 0 68 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 -0.593 125.7 -46.7 75.3 -98.3 -29.1 63.8 8.7 38 330 A G T 3 S+ 0 0 42 -2,-1.3 -35,-2.3 -35,-0.0 -1,-0.3 0.086 121.1 88.0-152.7 13.4 -29.4 66.1 5.7 39 331 A R E < -aC 3 36A 23 -3,-2.1 -3,-2.1 -37,-0.2 2,-0.4 -0.743 60.7-145.0-118.1 164.2 -26.2 68.0 6.3 40 332 A V E -aC 4 35A 1 -37,-1.5 -35,-2.2 -2,-0.2 2,-0.5 -0.997 5.8-153.8-134.4 133.2 -22.6 67.6 5.4 41 333 A H E -aC 5 34A 17 -7,-3.1 -7,-1.9 -2,-0.4 2,-0.6 -0.923 4.8-161.3-111.3 122.0 -19.4 68.4 7.4 42 334 A R E -aC 6 33A 90 -37,-0.8 -35,-0.8 -2,-0.5 -9,-0.2 -0.893 17.9-135.0-103.2 120.5 -16.2 69.3 5.6 43 335 A A - 0 0 10 -11,-2.4 -11,-0.5 -2,-0.6 6,-0.1 -0.626 4.4-152.2 -77.8 118.9 -13.1 69.0 7.8 44 336 A P S S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -11,-0.0 0.875 94.2 29.7 -55.4 -42.9 -10.7 72.0 7.3 45 337 A E S > S- 0 0 121 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.868 75.0-168.9-123.4 95.2 -7.7 69.8 8.2 46 338 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.873 86.1 48.7 -47.9 -55.3 -8.3 66.2 7.2 47 339 A Y H > S+ 0 0 68 -18,-0.3 4,-0.8 1,-0.2 3,-0.2 0.948 117.3 43.2 -55.3 -48.2 -5.4 64.6 9.0 48 340 A K H >4 S+ 0 0 81 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.896 112.1 56.4 -62.8 -38.5 -6.4 66.5 12.1 49 341 A A H >X S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 4,-0.9 0.828 92.1 69.3 -63.3 -34.0 -10.0 65.5 11.3 50 342 A L H >< S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.869 88.6 65.1 -52.9 -40.6 -9.2 61.8 11.3 51 343 A R T << S+ 0 0 120 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.749 98.7 54.9 -55.3 -26.2 -8.6 61.9 15.1 52 344 A D T <4 S+ 0 0 102 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.839 85.8 91.8 -80.5 -32.7 -12.2 62.7 15.6 53 345 A L << - 0 0 23 -4,-0.9 3,-0.1 -3,-0.7 -42,-0.0 -0.316 51.3-169.0 -64.2 145.8 -13.9 59.9 13.7 54 346 A K S S+ 0 0 91 1,-0.4 2,-0.3 21,-0.1 -1,-0.1 0.591 76.9 14.5-106.2 -20.4 -14.7 56.8 15.8 55 347 A E - 0 0 83 20,-0.2 2,-1.0 -42,-0.1 -1,-0.4 -0.977 68.1-133.0-156.2 137.9 -15.5 54.6 12.8 56 348 A E B +d 77 0B 1 20,-2.3 22,-3.8 -2,-0.3 2,-0.5 -0.839 38.4 169.8 -94.8 102.0 -14.8 54.9 9.0 57 349 A R + 0 0 30 -2,-1.0 -42,-2.0 -44,-0.5 2,-0.3 -0.962 33.0 45.0-120.0 123.7 -18.2 54.1 7.5 58 350 A G S > S+ 0 0 2 21,-2.5 3,-1.7 -2,-0.5 4,-0.2 -0.930 92.0 2.1 146.7-170.7 -18.9 54.6 3.9 59 351 A L T 3 S- 0 0 3 -44,-0.4 -42,-0.2 54,-0.3 58,-0.1 -0.249 132.0 -4.3 -51.2 119.6 -17.6 54.1 0.4 60 352 A L T >> S+ 0 0 47 3,-0.1 4,-1.4 1,-0.1 3,-0.8 0.873 80.2 167.2 61.7 41.0 -14.2 52.4 0.6 61 353 A A H <> + 0 0 3 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 0.904 68.7 58.0 -51.6 -48.1 -14.2 52.4 4.4 62 354 A K H 3> S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.835 102.6 54.3 -54.9 -36.8 -11.2 50.0 4.6 63 355 A D H <> S+ 0 0 12 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.929 110.1 43.8 -65.5 -47.6 -8.9 52.3 2.6 64 356 A L H X S+ 0 0 1 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.932 114.5 52.2 -61.9 -44.5 -9.4 55.3 4.7 65 357 A S H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.851 106.0 54.1 -58.6 -37.9 -9.0 53.1 7.8 66 358 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.926 109.6 47.0 -63.2 -43.5 -5.8 51.7 6.4 67 359 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.885 109.7 55.1 -65.9 -36.6 -4.4 55.2 6.0 68 360 A A H >X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-1.7 0.977 107.7 47.7 -59.0 -55.3 -5.6 55.9 9.6 69 361 A L H ><5S+ 0 0 32 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.901 107.8 56.5 -50.4 -46.1 -3.7 52.9 10.9 70 362 A R H 3<5S+ 0 0 40 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.742 109.2 48.2 -57.9 -24.6 -0.6 54.1 9.0 71 363 A E H <<5S- 0 0 54 -3,-1.7 -1,-0.3 -4,-1.0 -2,-0.2 0.478 127.0 -94.8 -98.4 -5.1 -0.9 57.4 10.8 72 364 A G T <<5S+ 0 0 67 -3,-1.6 2,-0.3 -4,-0.7 -3,-0.2 0.478 84.1 123.4 106.2 3.8 -1.3 56.0 14.3 73 365 A L < - 0 0 36 -5,-2.1 -1,-0.4 -6,-0.2 -2,-0.1 -0.663 54.3-147.3 -97.8 153.9 -5.1 55.9 14.6 74 366 A G + 0 0 64 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.037 41.1 152.9-107.1 27.2 -7.1 52.8 15.4 75 367 A L - 0 0 8 -10,-0.1 -6,-0.2 -11,-0.1 -20,-0.2 -0.417 32.2-152.3 -61.1 104.4 -10.1 53.9 13.3 76 368 A P - 0 0 54 0, 0.0 -20,-2.3 0, 0.0 2,-0.3 -0.530 18.2-109.0 -82.3 147.2 -11.8 50.6 12.2 77 369 A P B +d 56 0B 10 0, 0.0 -20,-0.2 0, 0.0 70,-0.2 -0.565 40.4 178.5 -75.2 135.4 -13.9 50.4 9.0 78 370 A G - 0 0 2 -22,-3.8 -20,-0.2 1,-0.4 -16,-0.1 0.109 47.2 -3.6-110.7-136.6 -17.7 50.1 9.4 79 371 A D - 0 0 15 -22,-0.1 -21,-2.5 -18,-0.1 -1,-0.4 -0.286 58.8-179.1 -58.5 143.5 -20.6 50.0 6.9 80 372 A D >> - 0 0 12 -23,-0.2 3,-1.7 -3,-0.1 4,-1.1 -0.886 24.2-150.4-147.5 107.2 -19.5 50.3 3.3 81 373 A P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.804 95.6 69.7 -50.6 -29.6 -22.2 50.2 0.6 82 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 99.6 49.5 -54.4 -40.9 -19.7 48.8 -1.8 83 375 A L H <> S+ 0 0 2 -3,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.869 110.6 49.4 -64.6 -38.4 -19.8 45.6 0.3 84 376 A L H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.930 114.1 44.6 -66.4 -46.5 -23.6 45.7 0.2 85 377 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 7,-0.3 0.900 109.5 56.5 -63.6 -42.5 -23.6 46.1 -3.6 86 378 A Y H < S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.858 108.8 47.8 -59.0 -36.9 -20.9 43.4 -4.0 87 379 A L H < S+ 0 0 1 -4,-1.5 348,-0.5 1,-0.2 -1,-0.2 0.858 111.2 49.0 -73.6 -36.0 -23.2 41.0 -2.1 88 380 A L H < S- 0 0 21 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.872 138.8 -2.9 -69.0 -36.9 -26.3 41.8 -4.2 89 381 A D >< - 0 0 23 -4,-2.7 3,-2.5 -5,-0.1 -1,-0.3 -0.788 61.9-150.0-159.4 106.6 -24.3 41.4 -7.4 90 382 A P T 3 S+ 0 0 5 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.459 94.0 75.9 -60.1 1.0 -20.5 40.6 -7.4 91 383 A S T 3 S+ 0 0 75 -6,-0.2 2,-1.3 187,-0.1 3,-0.2 0.495 71.7 91.5 -88.2 -5.3 -20.2 42.5 -10.7 92 384 A N < + 0 0 10 -3,-2.5 -3,-0.1 -7,-0.3 -1,-0.1 -0.780 48.3 138.3 -88.9 94.9 -20.5 45.7 -8.6 93 385 A T + 0 0 57 -2,-1.3 -1,-0.2 1,-0.1 182,-0.2 0.514 50.8 53.5-118.1 -12.8 -16.8 46.2 -8.1 94 386 A T S > S- 0 0 59 -3,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.943 71.3-131.3-127.7 150.2 -16.1 49.9 -8.5 95 387 A P H > S+ 0 0 14 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.912 107.0 62.3 -63.2 -41.0 -17.6 52.9 -6.8 96 388 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 10,-0.3 0.946 112.2 35.9 -47.6 -56.7 -18.2 54.6 -10.2 97 389 A G H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.898 114.6 54.2 -66.5 -43.6 -20.5 51.8 -11.3 98 390 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.884 112.3 47.9 -59.0 -35.1 -22.1 51.3 -7.9 99 391 A A H X>S+ 0 0 0 -4,-3.1 5,-2.5 2,-0.2 4,-1.8 0.955 111.6 46.0 -70.3 -53.1 -22.9 55.0 -7.9 100 392 A R H <5S+ 0 0 85 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.824 119.9 43.2 -60.9 -31.4 -24.4 55.2 -11.4 101 393 A R H <5S+ 0 0 124 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.828 123.0 31.6 -85.1 -32.2 -26.4 52.0 -10.7 102 394 A Y H <5S- 0 0 17 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.435 129.9 -48.8-110.8 3.5 -27.7 52.8 -7.2 103 395 A G T <5S+ 0 0 41 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.679 95.6 4.5 141.5 29.1 -28.1 56.5 -6.8 104 396 A G < - 0 0 35 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.3 -0.986 68.8 -67.0 171.9-160.0 -25.4 59.0 -7.8 105 397 A E - 0 0 149 -2,-0.3 2,-0.8 7,-0.1 11,-0.1 -0.995 31.7-131.7-135.2 126.9 -22.1 60.0 -9.3 106 398 A W + 0 0 37 -2,-0.4 2,-0.1 -10,-0.3 7,-0.1 -0.682 45.0 165.6 -76.3 110.9 -18.6 59.1 -8.0 107 399 A T - 0 0 23 -2,-0.8 -1,-0.1 2,-0.2 -11,-0.0 0.006 47.3-103.7-106.9-147.2 -16.9 62.5 -8.1 108 400 A E S S+ 0 0 133 -2,-0.1 2,-0.5 -90,-0.1 3,-0.1 0.304 84.3 98.1-128.1 5.5 -13.8 64.0 -6.6 109 401 A E > - 0 0 51 1,-0.1 4,-1.8 -92,-0.0 -2,-0.2 -0.852 63.6-146.3-102.3 130.6 -15.2 66.1 -3.8 110 402 A A H > S+ 0 0 2 -2,-0.5 4,-2.2 2,-0.2 -77,-0.2 0.867 98.7 56.2 -60.9 -41.6 -15.2 64.6 -0.3 111 403 A G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.957 109.8 46.4 -56.6 -49.2 -18.4 66.3 0.7 112 404 A E H > S+ 0 0 94 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.845 110.0 52.7 -62.0 -36.0 -20.1 64.7 -2.2 113 405 A R H X S+ 0 0 20 -4,-1.8 4,-2.4 2,-0.2 -54,-0.3 0.844 110.0 50.6 -69.0 -31.1 -18.6 61.3 -1.5 114 406 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -79,-0.3 0.952 114.0 41.8 -69.6 -50.6 -19.9 61.6 2.0 115 407 A A H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.938 115.5 52.8 -60.3 -45.2 -23.4 62.5 0.9 116 408 A L H X S+ 0 0 2 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.901 106.7 51.3 -57.0 -45.4 -23.0 59.7 -1.8 117 409 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.930 110.1 50.2 -59.6 -46.1 -22.0 57.1 0.8 118 410 A E H X S+ 0 0 42 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.944 116.2 38.8 -58.1 -54.2 -25.0 57.9 3.0 119 411 A R H X S+ 0 0 117 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.890 115.0 53.4 -68.0 -38.9 -27.6 57.7 0.2 120 412 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.3 5,-0.3 0.950 111.3 47.1 -60.1 -45.3 -26.0 54.7 -1.4 121 413 A F H X S+ 0 0 24 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.902 111.1 52.3 -62.6 -39.5 -26.0 52.9 1.9 122 414 A A H X S+ 0 0 65 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.967 115.7 39.4 -59.8 -51.9 -29.7 53.9 2.3 123 415 A N H X S+ 0 0 67 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.940 118.4 46.3 -65.9 -48.1 -30.7 52.6 -1.1 124 416 A L H X S+ 0 0 0 -4,-3.2 4,-1.0 -5,-0.3 -1,-0.2 0.895 108.9 55.1 -63.6 -39.6 -28.5 49.4 -1.0 125 417 A W H < S+ 0 0 86 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.2 0.881 106.7 52.3 -62.2 -34.8 -29.5 48.5 2.5 126 418 A G H >< S+ 0 0 42 -4,-1.5 3,-2.4 -5,-0.2 -1,-0.2 0.927 102.8 57.4 -65.9 -43.7 -33.2 48.6 1.5 127 419 A R H 3< S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.735 101.6 57.5 -58.5 -23.4 -32.5 46.3 -1.4 128 420 A L T >< S+ 0 0 0 -4,-1.0 3,-2.6 -3,-0.5 2,-0.8 0.374 74.2 132.0 -88.0 2.7 -31.2 43.7 1.1 129 421 A E T < S+ 0 0 83 -3,-2.4 -3,-0.1 1,-0.3 3,-0.0 -0.400 84.1 5.1 -60.7 100.9 -34.5 43.8 2.9 130 422 A G T 3 S+ 0 0 70 -2,-0.8 2,-1.6 1,-0.1 -1,-0.3 0.360 91.8 120.7 105.9 -5.3 -35.3 40.1 3.4 131 423 A E X> + 0 0 54 -3,-2.6 4,-3.0 1,-0.2 3,-0.8 -0.424 32.6 165.9 -89.0 60.7 -32.0 38.8 1.9 132 424 A E H 3> S+ 0 0 70 -2,-1.6 4,-2.2 1,-0.3 -1,-0.2 0.838 72.1 50.5 -44.4 -46.1 -31.3 37.1 5.2 133 425 A R H 3> S+ 0 0 123 -3,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.875 114.0 44.6 -65.0 -36.6 -28.5 34.9 3.7 134 426 A L H <> S+ 0 0 1 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.876 112.0 51.7 -74.3 -38.2 -26.9 38.0 2.2 135 427 A L H X S+ 0 0 27 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.869 107.5 54.3 -64.6 -36.1 -27.3 40.0 5.4 136 428 A W H X S+ 0 0 98 -4,-2.2 4,-2.8 -5,-0.3 5,-0.5 0.943 108.7 47.7 -61.8 -48.7 -25.6 37.2 7.3 137 429 A L H X>S+ 0 0 0 -4,-1.6 5,-2.9 295,-0.2 4,-0.7 0.798 113.4 50.5 -62.0 -30.5 -22.7 37.3 4.9 138 430 A Y H <>S+ 0 0 0 -4,-1.7 5,-2.6 3,-0.2 -2,-0.2 0.926 121.1 28.6 -75.1 -48.1 -22.5 41.1 5.3 139 431 A R H <5S+ 0 0 109 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.789 128.9 39.8 -86.3 -27.7 -22.5 41.3 9.1 140 432 A E H <5S+ 0 0 100 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.689 135.4 8.4 -94.1 -19.7 -20.9 38.0 9.9 141 433 A V T X5S+ 0 0 0 -4,-0.7 4,-2.6 -5,-0.5 -3,-0.2 0.685 124.5 36.4-123.1 -71.1 -18.3 38.0 7.1 142 434 A E H >> S+ 0 0 39 0, 0.0 4,-1.4 0, 0.0 3,-1.0 0.922 111.8 60.3 -63.7 -38.9 -16.0 42.6 9.9 145 437 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.884 94.8 63.6 -53.7 -40.3 -13.6 41.2 7.3 146 438 A S H 3X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.874 101.6 50.8 -53.1 -38.8 -12.8 44.7 6.1 147 439 A A H + 0 0 61 145,-1.9 4,-1.8 -2,-0.3 5,-0.2 -0.673 33.8 175.8 -92.6 85.8 14.9 41.1 1.8 161 453 A V H > S+ 0 0 43 -2,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.858 77.5 51.9 -56.5 -43.3 15.8 44.1 -0.5 162 454 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 107.1 56.3 -63.3 -37.0 19.5 43.4 -0.6 163 455 A Y H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.942 113.6 37.0 -59.2 -52.3 18.7 39.8 -1.6 164 456 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.860 110.2 62.2 -69.6 -38.2 16.6 40.8 -4.6 165 457 A R H X S+ 0 0 109 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.918 114.0 35.8 -52.5 -46.2 18.9 43.7 -5.5 166 458 A A H X S+ 0 0 59 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.808 110.8 59.7 -79.5 -33.3 21.7 41.2 -6.0 167 459 A L H X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.886 102.2 58.0 -61.9 -36.8 19.6 38.4 -7.5 168 460 A S H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.903 102.4 50.3 -60.0 -46.3 18.7 40.9 -10.2 169 461 A L H X S+ 0 0 122 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.899 112.7 49.6 -60.7 -39.5 22.3 41.5 -11.3 170 462 A E H >X S+ 0 0 86 -4,-1.6 4,-1.3 2,-0.2 3,-0.9 0.971 113.2 42.5 -64.1 -56.7 22.7 37.7 -11.5 171 463 A V H 3X S+ 0 0 5 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.837 104.1 68.6 -60.8 -31.7 19.6 37.0 -13.6 172 464 A A H 3X S+ 0 0 41 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.3 0.909 102.3 46.0 -52.8 -42.1 20.5 40.0 -15.7 173 465 A E H S+ 0 0 42 -4,-2.7 5,-1.5 2,-0.2 4,-1.4 0.853 109.1 53.5 -63.9 -38.3 19.7 35.9 -31.8 184 476 A R H ><5S+ 0 0 149 -4,-1.1 3,-0.7 -5,-0.3 -2,-0.2 0.974 111.5 45.6 -61.2 -51.5 22.6 33.6 -32.9 185 477 A L H 3<5S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.726 114.6 48.6 -63.0 -23.6 20.1 30.9 -33.8 186 478 A A H 3<5S- 0 0 17 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.661 107.9-128.2 -89.6 -17.7 17.8 33.4 -35.5 187 479 A G T <<5S+ 0 0 65 -4,-1.4 -3,-0.2 -3,-0.7 -2,-0.1 0.585 82.9 43.5 80.9 10.0 20.8 34.8 -37.4 188 480 A H S - 0 0 78 -2,-0.3 3,-1.7 1,-0.2 7,-0.2 -0.556 42.6-170.3 -70.6 100.9 13.2 42.6 -29.7 192 484 A L T 3 S+ 0 0 2 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.708 84.7 62.6 -63.8 -22.4 12.7 39.2 -28.0 193 485 A N T 3 S+ 0 0 110 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.575 84.9 93.0 -78.1 -9.8 10.0 40.9 -25.7 194 486 A S <> - 0 0 25 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 -0.779 59.7-167.0 -89.3 107.5 8.1 41.6 -28.9 195 487 A R H > S+ 0 0 67 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.884 90.0 52.8 -60.3 -39.4 5.6 38.8 -29.4 196 488 A D H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 109.5 47.2 -63.5 -44.7 5.0 40.1 -33.0 197 489 A Q H > S+ 0 0 62 1,-0.2 4,-1.4 -6,-0.2 -1,-0.2 0.859 112.9 49.3 -65.3 -35.6 8.7 40.2 -33.9 198 490 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -7,-0.2 5,-0.3 0.822 104.9 59.5 -72.4 -31.0 9.2 36.6 -32.5 199 491 A E H X>S+ 0 0 17 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.968 105.6 47.1 -60.3 -54.3 6.2 35.4 -34.5 200 492 A R H X>S+ 0 0 132 -4,-1.7 5,-2.7 1,-0.2 4,-1.7 0.863 112.4 52.4 -54.6 -40.2 7.7 36.4 -37.8 201 493 A V H <>S+ 0 0 3 -4,-1.4 5,-2.7 3,-0.2 -1,-0.2 0.903 115.7 36.3 -65.1 -46.1 11.0 34.8 -36.7 202 494 A L H <5S+ 0 0 0 -4,-2.3 6,-1.8 3,-0.2 -2,-0.2 0.929 130.0 28.5 -75.3 -47.4 9.7 31.4 -35.8 203 495 A F H <5S+ 0 0 18 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.720 133.3 24.4 -90.8 -25.7 6.9 30.9 -38.4 204 496 A D T < - 0 0 34 5,-2.8 4,-1.0 -2,-0.3 7,-0.0 -0.530 31.4-122.0 -82.4 153.7 -4.4 34.5 -30.6 215 507 A E T 4 S+ 0 0 163 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.874 97.7 27.3 -66.2 -48.6 -8.0 35.2 -29.5 216 508 A K T 4 S+ 0 0 184 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.731 134.4 24.8 -90.7 -23.1 -8.7 38.9 -30.5 217 509 A T T 4 S- 0 0 90 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.320 92.2-126.6-124.6 5.5 -6.4 39.3 -33.5 218 510 A G < + 0 0 35 -4,-1.0 -3,-0.1 1,-0.1 2,-0.1 0.736 50.8 157.2 56.3 26.2 -5.8 35.9 -34.9 219 511 A K - 0 0 67 1,-0.1 -5,-2.8 -6,-0.1 2,-1.1 -0.430 58.7 -90.2 -78.1 160.1 -2.0 36.1 -34.8 220 512 A R B -I 213 0D 57 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.589 54.5-122.3 -71.4 101.7 0.0 32.9 -34.7 221 513 A S - 0 0 15 -2,-1.1 -10,-0.4 -9,-1.0 -9,-0.4 -0.094 21.9-163.2 -48.9 141.1 0.3 32.5 -30.9 222 514 A T + 0 0 8 -11,-0.1 -1,-0.1 -12,-0.1 -2,-0.1 -0.188 35.8 158.3-116.1 33.5 3.8 32.3 -29.4 223 515 A S > - 0 0 52 1,-0.1 4,-3.7 -11,-0.0 5,-0.2 -0.025 58.9-116.9 -57.7 161.0 2.5 30.8 -26.1 224 516 A A H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.897 123.8 52.5 -63.7 -36.3 4.7 28.9 -23.7 225 517 A A H > S+ 0 0 55 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.883 110.9 43.9 -65.0 -43.4 2.2 26.1 -24.7 226 518 A V H >> S+ 0 0 7 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.949 114.5 51.4 -66.3 -47.3 2.8 26.6 -28.4 227 519 A L H 3< S+ 0 0 0 -4,-3.7 4,-0.3 1,-0.2 -2,-0.2 0.790 106.1 53.6 -60.8 -30.3 6.6 26.9 -27.7 228 520 A E H >< S+ 0 0 134 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.828 103.4 56.4 -76.2 -26.1 6.6 23.6 -25.7 229 521 A A H << S+ 0 0 60 -4,-1.2 -1,-0.2 -3,-0.6 3,-0.2 0.770 114.8 40.5 -70.7 -24.8 4.9 21.8 -28.6 230 522 A L T >X S+ 0 0 3 -4,-1.0 3,-2.0 1,-0.1 4,-1.0 0.342 79.6 111.1-104.6 2.8 7.9 23.1 -30.7 231 523 A R T <4 S+ 0 0 39 -3,-0.6 7,-0.4 -4,-0.3 3,-0.2 0.822 87.7 37.9 -47.6 -37.7 10.7 22.5 -28.2 232 524 A E T 34 S+ 0 0 201 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.457 101.2 75.7 -96.3 -0.8 12.1 19.7 -30.3 233 525 A A T <4 S- 0 0 57 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.794 112.5 -1.9 -79.9 -27.9 11.5 21.3 -33.6 234 526 A H >< - 0 0 41 -4,-1.0 3,-1.2 -3,-0.2 4,-0.5 -0.969 65.0-120.6-162.6 144.9 14.3 23.8 -33.3 235 527 A P T 3> S+ 0 0 88 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.760 105.5 68.9 -60.0 -26.6 17.0 24.7 -30.7 236 528 A I H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.786 86.7 68.1 -65.7 -28.1 15.8 28.3 -30.5 237 529 A V H <> S+ 0 0 0 -3,-1.2 4,-1.3 -7,-0.2 -1,-0.2 0.885 97.7 47.6 -60.5 -46.8 12.6 27.3 -28.8 238 530 A E H >> S+ 0 0 46 -4,-0.5 4,-1.7 -3,-0.4 3,-0.6 0.941 110.5 53.0 -62.7 -46.5 14.0 26.1 -25.4 239 531 A K H 3X 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