==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-SEP-98 4KTQ . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.LI,G.WAKSMAN . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 74.2 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 . 51 9.5 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 . 36 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 40.6 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 4 1 0 1 5 1 2 0 2 1 2 0 0 1 1 0 0 0 0 0 0 1 0 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 . 4 1 2 3 0 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 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 1 294 A L 0 0 127 0, 0.0 2,-0.5 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 153.1 -27.7 72.1 1.8 2 295 A E E -a 38 0A 58 35,-2.3 37,-2.1 38,-0.0 2,-0.2 -0.962 360.0-125.5-121.4 123.8 -26.3 74.4 4.5 3 296 A E E -a 39 0A 89 -2,-0.5 37,-0.2 35,-0.2 35,-0.0 -0.440 34.5-169.9 -65.0 127.6 -22.6 75.1 5.0 4 297 A A E -a 40 0A 24 35,-2.8 37,-1.0 -2,-0.2 2,-0.0 -0.891 30.1 -93.1-124.9 151.8 -21.6 74.4 8.7 5 298 A P E -a 41 0A 107 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.366 52.8 -99.9 -60.4 137.8 -18.5 75.1 10.8 6 299 A W S S+ 0 0 23 35,-0.5 36,-0.1 34,-0.1 34,-0.1 0.737 97.6 95.8 -28.1 -63.1 -16.1 72.1 10.6 7 300 A P - 0 0 96 0, 0.0 34,-0.1 0, 0.0 41,-0.0 -0.088 68.5-157.9 -40.1 103.5 -17.0 70.4 14.0 8 301 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.644 19.2 -97.5 -91.7 149.1 -19.5 67.8 12.7 9 302 A P - 0 0 65 0, 0.0 3,-0.4 0, 0.0 25,-0.1 -0.109 58.2 -73.7 -57.1 158.5 -22.2 66.1 14.8 10 303 A E S S+ 0 0 201 1,-0.2 42,-0.1 42,-0.1 0, 0.0 -0.286 114.9 12.3 -57.0 134.7 -21.5 62.7 16.2 11 304 A G S S+ 0 0 46 -3,-0.1 -1,-0.2 1,-0.1 2,-0.1 0.949 84.8 161.6 63.6 57.4 -21.7 60.0 13.5 12 305 A A - 0 0 14 -3,-0.4 2,-0.8 -4,-0.1 44,-0.3 -0.367 47.2 -92.6 -97.7 179.6 -21.7 61.9 10.2 13 306 A F - 0 0 9 21,-1.0 21,-0.4 -2,-0.1 44,-0.2 -0.845 43.8-141.7 -98.5 109.3 -21.0 60.9 6.6 14 307 A V - 0 0 7 42,-1.3 2,-0.3 -2,-0.8 44,-0.2 0.050 18.7-174.8 -59.9 175.6 -17.3 61.5 5.9 15 308 A G E +B 32 0A 2 17,-0.9 17,-2.0 42,-0.1 2,-0.3 -0.812 8.4 168.1-172.9 132.0 -16.1 62.7 2.5 16 309 A F E -B 31 0A 16 -2,-0.3 2,-0.6 15,-0.2 15,-0.2 -0.972 27.4-144.6-159.9 141.7 -12.5 63.2 1.4 17 310 A V E -B 30 0A 17 13,-1.3 12,-1.4 -2,-0.3 13,-1.4 -0.925 22.0-161.8-110.0 116.6 -10.3 63.8 -1.6 18 311 A L E -B 28 0A 26 -2,-0.6 10,-0.2 10,-0.2 3,-0.1 -0.497 30.1-120.2 -90.0 165.0 -7.0 62.1 -1.7 19 312 A S S S- 0 0 66 8,-0.5 2,-0.3 -2,-0.2 9,-0.1 0.330 94.0 -16.3 -85.4 7.4 -4.1 63.1 -3.9 20 313 A R S S- 0 0 110 1,-0.2 -2,-0.1 7,-0.1 6,-0.1 -0.963 79.3 -84.5 175.1-176.0 -4.4 59.5 -5.4 21 314 A K S S+ 0 0 122 -2,-0.3 -1,-0.2 1,-0.1 5,-0.1 0.987 97.2 79.0 -75.9 -66.0 -5.8 56.0 -4.7 22 315 A E >> - 0 0 21 1,-0.2 4,-1.9 -3,-0.1 3,-1.9 -0.247 66.5-157.1 -48.3 101.1 -3.3 54.3 -2.5 23 316 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.845 88.6 65.5 -52.5 -32.4 -4.1 55.7 0.9 24 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 245,-0.1 245,-0.0 0.720 115.3 25.4 -62.9 -25.9 -0.6 54.8 2.0 25 318 A W T <4 S+ 0 0 73 -3,-1.9 -1,-0.2 236,-0.0 -3,-0.1 0.524 104.1 98.7-114.3 -13.7 1.1 57.3 -0.4 26 319 A A < - 0 0 2 -4,-1.9 2,-0.4 -5,-0.1 -8,-0.1 -0.131 64.7-133.1 -71.6 170.4 -1.8 59.8 -0.8 27 320 A D - 0 0 69 -7,-0.0 2,-1.4 -10,-0.0 -8,-0.5 -0.997 23.9-116.4-128.5 124.3 -2.2 63.1 0.9 28 321 A L E +B 18 0A 3 -2,-0.4 18,-0.2 1,-0.2 -10,-0.2 -0.411 38.6 173.1 -61.8 91.9 -5.5 64.1 2.5 29 322 A L E + 0 0 96 -12,-1.4 2,-0.3 -2,-1.4 -1,-0.2 0.910 65.7 10.5 -69.1 -41.1 -6.3 67.2 0.4 30 323 A A E -B 17 0A 29 -13,-1.4 -13,-1.3 -3,-0.2 2,-0.4 -0.997 57.8-169.9-147.3 142.1 -9.7 67.6 1.8 31 324 A L E +B 16 0A 3 11,-0.5 11,-2.0 -2,-0.3 2,-0.3 -0.974 23.6 143.2-128.2 141.2 -11.9 66.3 4.7 32 325 A A E -BC 15 41A 1 -17,-2.0 -17,-0.9 -2,-0.4 2,-0.3 -0.949 24.4-148.9-162.2 178.4 -15.6 66.9 5.3 33 326 A A E - C 0 40A 2 7,-2.3 7,-1.7 -2,-0.3 2,-0.3 -0.939 4.2-148.9-152.5 173.2 -18.9 65.5 6.5 34 327 A A E + C 0 39A 2 -21,-0.4 -21,-1.0 -2,-0.3 2,-0.4 -0.842 16.3 166.9-157.0 114.9 -22.7 65.5 6.0 35 328 A R E > S- C 0 38A 30 3,-1.4 3,-1.4 -2,-0.3 2,-1.4 -0.990 72.6 -26.3-131.4 123.9 -25.5 65.0 8.5 36 329 A G T 3 S- 0 0 64 -2,-0.4 3,-0.0 1,-0.2 -2,-0.0 -0.636 126.3 -38.4 79.2 -95.3 -29.1 65.8 7.8 37 330 A G T 3 S+ 0 0 50 -2,-1.4 -35,-2.3 -35,-0.1 2,-0.4 0.048 110.8 108.6-152.3 22.8 -28.7 68.5 5.2 38 331 A R E < -aC 2 35A 24 -3,-1.4 -3,-1.4 -37,-0.2 2,-0.6 -0.924 54.9-148.1-111.1 133.8 -25.7 70.4 6.6 39 332 A V E -aC 3 34A 11 -37,-2.1 -35,-2.8 -2,-0.4 2,-0.6 -0.885 10.3-162.6-105.6 115.8 -22.2 70.2 5.0 40 333 A H E -aC 4 33A 14 -7,-1.7 -7,-2.3 -2,-0.6 2,-0.5 -0.849 5.3-168.1-102.1 123.6 -19.2 70.4 7.3 41 334 A R E -aC 5 32A 105 -37,-1.0 -35,-0.5 -2,-0.6 -9,-0.2 -0.927 16.5-138.7-116.7 123.3 -15.8 71.2 5.9 42 335 A A - 0 0 11 -11,-2.0 -11,-0.5 -2,-0.5 4,-0.1 -0.634 5.1-151.0 -77.6 122.8 -12.5 70.9 7.7 43 336 A P S S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -11,-0.0 0.761 96.7 31.1 -63.4 -22.8 -10.3 73.9 6.9 44 337 A E S > S- 0 0 133 1,-0.1 4,-2.1 -13,-0.0 5,-0.2 -0.902 73.5-161.9-139.7 105.3 -7.5 71.5 7.6 45 338 A P H > S+ 0 0 18 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.827 86.5 55.2 -55.6 -40.2 -8.1 67.8 6.7 46 339 A Y H 4 S+ 0 0 57 -18,-0.2 3,-0.3 2,-0.2 4,-0.1 0.961 113.6 37.7 -62.9 -54.0 -5.3 66.3 8.8 47 340 A K H >4 S+ 0 0 48 1,-0.2 3,-3.4 2,-0.2 4,-0.3 0.977 113.1 57.2 -59.5 -57.7 -6.2 67.9 12.1 48 341 A A H >< S+ 0 0 3 -4,-2.1 3,-2.2 1,-0.3 4,-0.3 0.783 88.1 76.3 -43.4 -34.5 -10.0 67.4 11.5 49 342 A L T 3< S+ 0 0 2 -4,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.633 89.0 63.7 -55.0 -10.5 -9.2 63.7 11.1 50 343 A R T < S+ 0 0 113 -3,-3.4 -1,-0.3 1,-0.2 -2,-0.2 0.760 89.5 62.0 -86.2 -27.9 -9.0 63.9 14.9 51 344 A D S < S+ 0 0 97 -3,-2.2 2,-0.4 -4,-0.3 -1,-0.2 0.392 90.8 82.7 -81.6 4.4 -12.7 64.9 15.5 52 345 A L - 0 0 31 -3,-0.4 22,-0.1 -4,-0.3 3,-0.1 -0.872 54.4-168.0-110.9 143.0 -14.0 61.7 14.0 53 346 A K S S+ 0 0 89 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.586 77.3 7.0-100.6 -15.1 -14.3 58.4 15.9 54 347 A E S S- 0 0 73 20,-0.2 2,-0.7 2,-0.0 -1,-0.2 -0.963 73.6-108.5-157.4 167.5 -15.0 56.4 12.7 55 348 A A B +d 76 0B 1 20,-2.2 22,-3.4 -2,-0.3 2,-0.7 -0.906 33.6 177.1-109.1 106.8 -15.1 56.5 8.9 56 349 A R + 0 0 43 -2,-0.7 -42,-1.3 -44,-0.3 2,-0.3 -0.852 45.8 52.8-114.4 96.8 -18.7 56.4 7.6 57 350 A G S > S- 0 0 2 21,-1.5 3,-1.1 -2,-0.7 4,-0.2 -0.967 91.8 -28.8 167.0-176.2 -18.9 56.8 3.8 58 351 A L T 3 S+ 0 0 6 -2,-0.3 58,-0.1 1,-0.3 20,-0.0 -0.192 126.3 9.5 -60.2 153.0 -17.6 55.5 0.5 59 352 A L T >> S+ 0 0 58 3,-0.1 4,-1.5 1,-0.1 3,-0.7 0.861 84.8 156.6 41.4 37.7 -14.1 54.0 0.4 60 353 A A H <> + 0 0 2 -3,-1.1 4,-1.8 1,-0.3 3,-0.4 0.983 65.1 58.8 -52.5 -61.1 -14.4 54.3 4.2 61 354 A K H 3> S+ 0 0 14 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.763 103.5 57.4 -38.8 -32.9 -11.8 51.6 4.7 62 355 A D H X> S+ 0 0 10 -3,-0.7 4,-1.5 2,-0.2 3,-1.4 0.986 104.3 44.4 -68.4 -59.4 -9.5 53.9 2.8 63 356 A L H 3X S+ 0 0 0 -4,-1.5 4,-1.8 -3,-0.4 -1,-0.2 0.743 109.8 61.1 -58.8 -19.2 -9.6 57.0 4.9 64 357 A S H 3X S+ 0 0 2 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.3 0.859 102.0 52.6 -72.7 -34.2 -9.2 54.6 7.8 65 358 A V H <>S+ 0 0 0 -4,-1.8 5,-1.0 1,-0.3 3,-0.9 0.952 109.5 52.3 -48.0 -51.5 -5.8 57.9 9.4 68 361 A L H ><5S+ 0 0 29 -4,-2.8 3,-1.2 1,-0.3 -1,-0.3 0.862 107.2 51.5 -53.4 -39.7 -4.2 54.7 10.6 69 362 A R H 3<5S+ 0 0 73 -4,-2.2 -1,-0.3 -3,-0.4 -2,-0.2 0.764 102.7 58.9 -72.8 -23.6 -0.8 55.8 9.1 70 363 A E T <<5S- 0 0 78 -4,-1.9 -1,-0.3 -3,-0.9 -2,-0.2 0.317 126.4 -97.9 -85.9 8.3 -0.9 59.2 10.9 71 364 A G T < 5S+ 0 0 69 -3,-1.2 -3,-0.2 1,-0.4 2,-0.1 0.014 89.1 122.6 99.9 -27.8 -1.1 57.4 14.2 72 365 A L < - 0 0 35 -5,-1.0 -1,-0.4 -6,-0.2 -2,-0.2 -0.446 51.7-153.9 -71.8 139.5 -4.9 57.7 14.5 73 366 A G + 0 0 46 -2,-0.1 -5,-0.2 -3,-0.1 -1,-0.1 0.985 32.0 157.0 -73.6 -65.3 -6.9 54.5 14.9 74 367 A L - 0 0 15 -22,-0.1 -6,-0.2 -7,-0.1 -20,-0.2 0.891 35.7-141.6 36.9 87.9 -10.2 55.8 13.4 75 368 A P - 0 0 68 0, 0.0 -20,-2.2 0, 0.0 2,-0.4 -0.287 14.4-107.4 -74.4 160.9 -11.9 52.5 12.4 76 369 A P B +d 55 0B 13 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.741 45.3 169.4 -90.4 133.8 -13.9 52.2 9.1 77 370 A G + 0 0 9 -22,-3.4 -16,-0.2 1,-0.4 -20,-0.1 0.027 42.0 1.5-116.2-137.0 -17.7 51.9 9.6 78 371 A D + 0 0 17 -22,-0.1 -21,-1.5 -18,-0.1 -1,-0.4 -0.078 61.0 178.3 -50.6 154.8 -20.8 52.0 7.4 79 372 A D >> - 0 0 13 -23,-0.2 4,-1.1 1,-0.1 3,-0.6 -0.807 30.9-150.2-165.7 117.7 -20.2 52.4 3.7 80 373 A P H >> S+ 0 0 0 0, 0.0 3,-2.7 0, 0.0 4,-1.5 0.976 96.8 65.1 -54.1 -58.3 -22.6 52.5 0.8 81 374 A M H 3> S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.766 100.5 52.4 -29.2 -48.7 -20.1 51.0 -1.6 82 375 A L H <> S+ 0 0 2 -3,-0.6 4,-0.8 1,-0.2 -1,-0.3 0.854 107.7 51.5 -61.0 -39.1 -20.2 47.8 0.5 83 376 A L H < - 0 0 25 -4,-4.3 3,-3.0 -5,-0.2 -1,-0.3 -0.819 61.0-159.8-147.4 101.6 -24.9 43.7 -7.2 89 382 A P T 3 S+ 0 0 5 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.599 94.3 71.8 -57.1 -7.5 -21.3 42.5 -7.2 90 383 A S T 3 S+ 0 0 74 -6,-0.2 2,-0.7 187,-0.1 -5,-0.1 0.808 74.5 92.6 -76.2 -30.3 -21.0 44.3 -10.5 91 384 A N < + 0 0 9 -3,-3.0 -3,-0.1 -7,-0.3 -4,-0.0 -0.538 47.6 147.2 -64.6 110.0 -21.2 47.5 -8.5 92 385 A T + 0 0 58 -2,-0.7 -1,-0.2 1,-0.1 182,-0.1 0.503 49.1 40.9-126.7 -9.6 -17.4 48.1 -8.1 93 386 A T > - 0 0 57 1,-0.1 4,-2.1 -12,-0.0 5,-0.2 -0.930 69.0-123.0-139.9 164.1 -16.8 51.8 -8.0 94 387 A P H > S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.911 109.3 59.9 -70.4 -41.5 -18.2 55.1 -6.5 95 388 A E H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 10,-0.4 0.957 115.4 31.8 -48.2 -63.6 -18.5 56.6 -10.0 96 389 A G H 4 S+ 0 0 32 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.883 115.4 58.8 -65.8 -41.4 -20.8 53.9 -11.3 97 390 A V H >X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 3,-1.1 0.956 115.6 35.1 -54.0 -54.8 -22.6 53.2 -8.0 98 391 A A H >X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.3 3,-0.8 0.975 113.2 57.9 -64.0 -52.9 -23.7 56.8 -7.7 99 392 A R H 3< S+ 0 0 82 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.478 117.0 39.5 -56.8 2.3 -24.2 57.1 -11.5 100 393 A R H <4 S+ 0 0 129 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.593 122.0 35.6-123.4 -26.1 -26.6 54.2 -10.9 101 394 A Y H << S- 0 0 21 -4,-1.8 -2,-0.2 -3,-0.8 -3,-0.2 0.295 125.9 -65.6-116.9 10.3 -28.3 55.0 -7.7 102 395 A G S < S+ 0 0 45 -4,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.787 94.2 64.5 105.8 82.8 -28.8 58.7 -7.7 103 396 A G - 0 0 28 -5,-0.4 2,-0.6 -8,-0.1 -1,-0.3 -0.620 67.9-107.1 149.7 150.6 -25.8 61.1 -7.6 104 397 A E - 0 0 163 -2,-0.2 2,-0.6 -6,-0.1 -9,-0.1 -0.911 32.8-128.0-106.2 118.2 -22.7 62.2 -9.4 105 398 A W - 0 0 38 -2,-0.6 2,-0.2 -10,-0.4 7,-0.1 -0.507 42.8-176.6 -63.6 111.4 -19.4 61.0 -8.0 106 399 A T - 0 0 28 -2,-0.6 9,-0.0 2,-0.2 -1,-0.0 -0.543 40.0-114.5-110.0 177.6 -17.5 64.3 -7.6 107 400 A E S S+ 0 0 143 -2,-0.2 2,-0.5 -90,-0.1 -2,-0.1 0.140 81.2 104.5 -95.5 16.8 -14.1 65.5 -6.6 108 401 A E > - 0 0 63 1,-0.1 4,-1.7 -92,-0.1 -2,-0.2 -0.898 64.7-147.2-104.9 124.5 -15.3 67.5 -3.5 109 402 A A T 4 S+ 0 0 1 -2,-0.5 4,-0.4 1,-0.2 -77,-0.3 0.583 104.6 44.4 -62.5 -8.7 -14.7 65.9 -0.1 110 403 A G T > S+ 0 0 1 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.816 107.9 51.8-100.7 -45.1 -18.0 67.5 0.8 111 404 A E T 4 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.723 109.7 57.2 -63.1 -20.9 -20.2 66.7 -2.2 112 405 A R T X S+ 0 0 19 -4,-1.7 4,-3.4 2,-0.2 -1,-0.2 0.882 104.7 46.6 -77.7 -42.6 -19.0 63.1 -1.5 113 406 A A H > S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.914 113.7 50.2 -65.2 -40.5 -20.3 63.0 2.1 114 407 A A H X S+ 0 0 28 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.721 113.4 47.1 -68.6 -21.6 -23.6 64.5 0.7 115 408 A L H > S+ 0 0 2 -4,-0.4 4,-1.6 -5,-0.2 -2,-0.2 0.892 109.2 53.6 -83.7 -44.6 -23.5 61.7 -1.9 116 409 A S H X S+ 0 0 3 -4,-3.4 4,-4.5 -102,-0.2 5,-0.3 0.947 109.0 48.1 -53.5 -56.8 -22.7 59.0 0.7 117 410 A E H X S+ 0 0 54 -4,-2.4 4,-3.2 1,-0.3 -1,-0.2 0.964 113.9 43.0 -48.1 -71.7 -25.6 59.8 2.9 118 411 A R H X S+ 0 0 152 -4,-0.9 4,-2.2 1,-0.3 -1,-0.3 0.766 119.4 50.1 -47.1 -27.6 -28.3 60.0 0.2 119 412 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.925 107.9 47.7 -79.2 -49.7 -26.5 56.9 -1.1 120 413 A F H X S+ 0 0 20 -4,-4.5 4,-3.9 2,-0.2 5,-0.3 0.881 117.1 47.9 -58.5 -36.1 -26.4 54.9 2.1 121 414 A A H X S+ 0 0 54 -4,-3.2 4,-3.3 -5,-0.3 5,-0.4 0.998 111.8 44.7 -63.5 -73.9 -30.1 55.9 2.5 122 415 A N H X S+ 0 0 65 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.813 124.6 40.0 -37.5 -41.1 -31.2 54.9 -1.1 123 416 A L H X S+ 0 0 0 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.956 112.0 49.5 -78.4 -57.0 -29.2 51.8 -0.6 124 417 A W H >< S+ 0 0 91 -4,-3.9 3,-0.9 -5,-0.3 -2,-0.2 0.889 113.9 50.7 -51.7 -39.5 -29.9 50.8 3.0 125 418 A G H >< S+ 0 0 44 -4,-3.3 3,-1.7 -5,-0.3 -1,-0.2 0.959 101.1 60.2 -61.9 -50.6 -33.5 51.2 2.2 126 419 A R H 3< S+ 0 0 109 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.665 89.3 77.0 -50.6 -17.7 -33.2 49.0 -0.9 127 420 A L T X< + 0 0 7 -4,-0.9 3,-1.5 -3,-0.9 -1,-0.3 0.246 64.0 145.8 -80.9 14.1 -32.1 46.3 1.6 128 421 A E T < S- 0 0 131 -3,-1.7 -3,-0.1 1,-0.3 -2,-0.0 -0.302 76.8 -7.2 -54.2 126.6 -35.7 45.8 2.6 129 422 A G T 3 S+ 0 0 78 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.829 90.5 130.5 52.8 42.8 -36.2 42.1 3.4 130 423 A E <> + 0 0 51 -3,-1.5 4,-2.7 1,-0.2 5,-0.4 -0.309 23.5 163.7-118.0 47.8 -32.8 40.9 2.3 131 424 A E H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.810 71.2 44.4 -27.2 -73.7 -31.9 38.9 5.4 132 425 A R H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.914 116.5 45.7 -43.5 -60.7 -29.1 36.8 4.0 133 426 A L H >> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 3,-1.6 0.961 113.9 49.1 -48.6 -59.7 -27.4 39.7 2.2 134 427 A L H 3X S+ 0 0 22 -4,-2.7 4,-2.0 1,-0.3 5,-0.4 0.823 105.2 59.7 -51.9 -33.7 -27.8 41.9 5.3 135 428 A W H 3X S+ 0 0 91 -4,-2.7 4,-2.1 -5,-0.4 -1,-0.3 0.866 106.6 47.7 -64.6 -32.4 -26.3 39.1 7.3 136 429 A L H S+ 0 0 0 -4,-1.6 5,-2.9 -3,-1.6 4,-1.1 0.880 109.4 51.3 -75.2 -37.5 -23.3 39.3 5.2 137 430 A Y H <>S+ 0 0 0 -4,-1.8 5,-2.7 3,-0.2 -2,-0.2 0.870 122.2 31.4 -67.1 -38.2 -22.9 43.1 5.4 138 431 A R H <5S+ 0 0 119 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.904 126.0 40.9 -85.6 -47.8 -23.2 43.1 9.2 139 432 A E H <5S- 0 0 98 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.495 137.7 -1.7 -81.2 -3.4 -21.5 39.8 10.0 140 433 A V T X5S+ 0 0 1 -4,-1.1 4,-2.7 -5,-0.1 -3,-0.2 0.484 120.7 50.7-149.4 -60.7 -18.8 40.1 7.4 141 434 A E H >> S+ 0 0 42 0, 0.0 3,-1.7 0, 0.0 4,-1.0 0.949 112.1 52.7 -59.8 -48.5 -16.3 44.2 10.0 144 437 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 5,-0.3 0.850 92.5 71.3 -55.6 -39.4 -13.8 43.0 7.5 145 438 A S H 3X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.827 101.9 49.0 -47.8 -30.0 -13.3 46.4 6.0 146 439 A A H + 0 0 60 145,-2.8 4,-1.9 -2,-0.4 3,-0.3 -0.526 32.4 175.2 -77.4 83.9 14.3 42.1 2.0 160 453 A V H > S+ 0 0 47 -2,-1.7 4,-2.3 1,-0.2 5,-0.2 0.914 72.5 54.7 -53.1 -60.0 15.3 44.8 -0.5 161 454 A A H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 109.9 52.0 -46.6 -39.9 19.1 44.4 -0.7 162 455 A Y H >> S+ 0 0 43 -3,-0.3 4,-1.8 1,-0.2 3,-1.2 0.995 107.0 49.1 -59.1 -65.2 18.4 40.7 -1.5 163 456 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.779 107.8 57.5 -45.2 -33.0 16.0 41.5 -4.4 164 457 A R H 3X S+ 0 0 115 -4,-2.3 4,-1.4 2,-0.2 -1,-0.3 0.930 103.7 52.3 -66.2 -44.0 18.7 43.8 -5.6 165 458 A A H XX S+ 0 0 61 -4,-1.8 4,-1.6 -3,-1.2 3,-1.0 0.975 110.0 48.2 -53.0 -59.7 21.2 40.9 -5.7 166 459 A L H >X S+ 0 0 1 -4,-1.8 4,-3.2 1,-0.2 3,-0.7 0.928 104.3 61.2 -44.2 -58.8 18.7 38.9 -7.8 167 460 A S H 3X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.776 108.3 42.1 -40.4 -42.7 18.1 41.7 -10.2 168 461 A L H X S+ 0 0 70 -4,-2.1 4,-2.2 1,-0.2 3,-1.0 0.971 115.9 40.2 -49.8 -64.3 21.6 32.7 -28.0 181 474 A V H 3X S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.3 6,-0.2 0.893 109.3 59.8 -53.6 -46.4 18.2 33.4 -29.6 182 475 A F H 3<>S+ 0 0 39 -4,-2.1 5,-1.8 -5,-0.4 3,-0.4 0.826 109.2 45.8 -53.7 -32.3 19.4 36.4 -31.4 183 476 A R H X<5S+ 0 0 150 -4,-1.7 3,-4.3 -3,-1.0 -1,-0.2 0.943 102.5 62.1 -74.6 -49.4 21.9 34.1 -33.1 184 477 A L H 3<5S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.534 107.5 47.6 -54.7 -4.3 19.3 31.5 -33.8 185 478 A A T 3<5S- 0 0 15 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.374 108.2-126.8-114.8 -1.8 17.7 34.2 -35.9 186 479 A G T < 5S+ 0 0 69 -3,-4.3 -3,-0.2 -5,-0.2 -2,-0.1 0.728 91.3 46.9 61.2 19.3 20.9 35.1 -37.7 187 480 A H S - 0 0 34 1,-0.2 4,-1.9 -3,-0.1 5,-0.2 -0.672 60.9-161.6 -79.7 108.5 7.4 42.4 -29.0 194 487 A R H > S+ 0 0 57 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.857 92.1 60.7 -57.0 -32.5 5.3 39.4 -29.7 195 488 A D H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.946 103.3 46.7 -58.8 -52.9 4.9 40.9 -33.2 196 489 A Q H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.869 112.7 50.7 -58.8 -37.8 8.6 40.8 -34.0 197 490 A L H X S+ 0 0 1 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.834 105.6 56.4 -70.4 -31.4 8.7 37.2 -32.7 198 491 A E H X>S+ 0 0 13 -4,-2.0 4,-1.8 1,-0.2 5,-1.2 0.982 109.6 44.8 -60.1 -56.8 5.7 36.3 -34.9 199 492 A R H <>S+ 0 0 132 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.803 118.3 46.7 -56.9 -31.2 7.6 37.4 -38.0 200 493 A V H <>S+ 0 0 5 -4,-1.4 5,-2.3 -5,-0.2 -2,-0.2 0.961 119.4 34.2 -77.9 -52.7 10.6 35.6 -36.6 201 494 A L H <5S+ 0 0 1 -4,-3.8 6,-1.2 3,-0.2 -3,-0.2 0.973 131.6 23.5 -66.4 -61.3 9.1 32.2 -35.7 202 495 A F T <5S+ 0 0 13 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.944 132.0 33.3 -76.2 -52.3 6.4 31.7 -38.2 203 496 A D T - 0 0 43 1,-0.1 4,-2.3 -11,-0.1 5,-0.1 0.092 59.6-110.8 -50.5 166.6 1.5 32.1 -26.5 223 516 A A H > S+ 0 0 55 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.910 119.4 50.5 -67.5 -45.7 3.3 29.7 -24.1 224 517 A A H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.958 109.7 51.4 -56.3 -53.3 1.0 26.8 -25.0 225 518 A V H 4 S+ 0 0 13 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.950 116.1 40.7 -46.2 -59.7 1.6 27.5 -28.7 226 519 A L H >< S+ 0 0 1 -4,-2.3 3,-4.2 1,-0.2 -2,-0.2 0.922 109.8 55.1 -59.3 -50.6 5.4 27.4 -28.0 227 520 A E H >< S+ 0 0 96 -4,-3.8 3,-2.0 1,-0.3 4,-0.3 0.907 105.4 57.9 -49.3 -38.1 5.4 24.5 -25.6 228 521 A A T 3< S+ 0 0 67 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.497 107.8 45.7 -69.3 -5.4 3.6 22.8 -28.5 229 522 A L T <> S+ 0 0 5 -3,-4.2 4,-1.0 -5,-0.2 -1,-0.3 0.069 78.1 112.6-122.1 17.5 6.7 23.6 -30.6 230 523 A R T <4 S+ 0 0 119 -3,-2.0 7,-0.3 1,-0.2 6,-0.2 0.975 82.7 42.2 -53.3 -57.9 9.1 22.5 -27.9 231 524 A E T 4 S+ 0 0 181 -4,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.963 108.9 60.0 -50.9 -65.9 10.2 19.6 -30.1 232 525 A A T 4 S+ 0 0 66 -4,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.833 114.2 13.1 -27.8 -88.2 10.4 21.5 -33.4 233 526 A H >X - 0 0 59 -4,-1.0 3,-0.5 1,-0.1 4,-0.5 -0.742 58.8-143.5-103.6 148.4 12.9 24.2 -32.7 234 527 A P H >> S+ 0 0 81 0, 0.0 4,-1.2 0, 0.0 3,-0.7 0.846 98.6 70.5 -74.1 -33.4 15.4 24.5 -29.9 235 528 A I H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.742 86.7 70.3 -53.5 -26.0 15.0 28.3 -29.8 236 529 A V H <> S+ 0 0 0 -3,-0.5 4,-1.8 -7,-0.2 -1,-0.2 0.971 97.5 46.2 -56.9 -58.1 11.5 27.6 -28.4 237 530 A E H XX S+ 0 0 27 -3,-0.7 4,-1.8 -4,-0.5 3,-0.6 0.930 113.3 48.0 -49.9 -57.6 12.8 26.4 -25.0 238 531 A K H 3X S+ 0 0 83 -4,-1.2 4,-2.2 1,-0.3 -1,-0.2 0.867 110.4 52.1 -54.4 -41.2 15.2 29.3 -24.6 239 532 A I H 3X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.832 106.0 56.7 -65.4 -31.4 12.5 31.8 -25.5 240 533 A L H S+ 0 0 13 -4,-2.2 5,-1.9 2,-0.2 4,-1.1 0.856 119.2 41.5 -49.8 -48.2 9.5 37.6 -12.8 249 542 A K H ><>S+ 0 0 38 -4,-3.0 5,-2.3 -5,-0.3 3,-1.0 1.000 118.1 43.6 -64.1 -69.6 12.1 40.4 -13.0 250 543 A S H 3<5S+ 0 0 70 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.829 124.6 34.3 -42.0 -51.0 9.8 43.1 -14.6 251 544 A T H 3<5S+ 0 0 57 -4,-3.0 -1,-0.3 -5,-0.4 -2,-0.2 0.567 138.8 3.1 -88.2 -11.2 6.8 42.3 -12.4 252 545 A Y T S+ 0 0 47 0, 0.0 4,-0.9 0, 0.0 -2,-0.1 0.792 103.2 69.4 -68.5 -27.1 9.3 47.1 -9.2 256 549 A L H >< S+ 0 0 7 -4,-1.9 3,-1.7 1,-0.2 4,-0.2 0.967 91.0 55.2 -56.6 -62.3 8.9 45.7 -5.6 257 550 A P H >4 S+ 0 0 5 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.855 105.0 52.2 -38.3 -56.0 11.8 47.4 -3.8 258 551 A D H 3< S+ 0 0 113 -4,-0.7 -2,-0.2 1,-0.3 -4,-0.0 0.775 97.5 67.1 -57.5 -28.0 10.8 51.0 -4.8 259 552 A L T << S+ 0 0 54 -3,-1.7 9,-0.6 -4,-0.9 -1,-0.3 0.400 72.8 123.0 -75.9 6.4 7.3 50.5 -3.5 260 553 A I B < S-F 267 0C 36 -3,-1.9 7,-0.2 -4,-0.2 -103,-0.0 -0.518 70.9-118.0 -69.8 131.3 8.7 50.2 0.0 261 554 A H >> - 0 0 21 5,-2.2 4,-3.5 -2,-0.2 3,-1.4 -0.547 13.4-143.9 -71.6 131.5 7.1 52.8 2.2 262 555 A P T 34 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.778 99.7 52.2 -65.3 -26.6 9.8 55.2 3.5 263 556 A R T 34 S+ 0 0 83 3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.315 127.6 18.2 -92.3 6.8 8.0 55.5 6.9 264 557 A T T <4 S- 0 0 61 -3,-1.4 3,-0.1 2,-0.1 -1,-0.1 0.496 84.8-132.5-143.6 -34.7 7.8 51.7 7.5 265 558 A G S < S+ 0 0 37 -4,-3.5 -107,-0.6 1,-0.3 2,-0.3 0.876 73.2 111.5 72.2 35.7 10.2 49.9 5.2 266 559 A R E S-E 157 0C 15 -5,-0.4 -5,-2.2 -109,-0.2 2,-0.4 -0.979 75.0-105.7-142.0 153.2 7.4 47.6 4.3 267 560 A L E -EF 156 260C 2 -111,-3.0 -111,-1.0 -2,-0.3 2,-0.7 -0.655 30.9-156.7 -81.3 126.9 5.3 46.9 1.2 268 561 A H - 0 0 4 -9,-0.6 -116,-0.1 -2,-0.4 -244,-0.1 -0.874 11.9-171.6-114.9 106.3 1.8 48.3 1.5 269 562 A T - 0 0 7 -2,-0.7 2,-0.5 -118,-0.2 16,-0.2 -0.219 22.6-125.0 -83.5 173.8 -0.8 46.6 -0.7 270 563 A R E -I 284 0F 30 14,-1.5 14,-2.9 16,-0.5 2,-1.1 -0.974 16.3-160.7-124.4 110.3 -4.4 47.6 -1.4 271 564 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