==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 22-JUN-99 1QSL . COMPND 2 MOLECULE: 5'-D(*GP*CP*TP*TP*AP*CP*GP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.A.BRAUTIGAM,K.ASCHHEIM,T.A.STEITZ . 601 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 3 1 1 1 3 4 0 1 1 1 2 0 1 2 0 0 0 0 0 0 0 2 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 0 0 4 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 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 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 1 324 A M 0 0 193 0, 0.0 2,-0.3 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0-172.8 79.1 36.4 77.4 2 325 A I - 0 0 14 4,-0.0 2,-0.1 3,-0.0 171,-0.1 -0.950 360.0-166.4-153.0 118.7 75.6 38.1 77.2 3 326 A S - 0 0 48 -2,-0.3 4,-0.5 170,-0.1 3,-0.4 -0.373 41.0 -94.6 -99.4-172.5 75.2 41.9 76.9 4 327 A Y S S+ 0 0 117 1,-0.2 5,-0.1 -2,-0.1 -1,-0.0 0.368 115.9 71.0 -83.0 4.4 72.3 44.3 77.2 5 328 A D S S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.809 83.3 66.2 -90.3 -32.5 72.0 44.1 73.4 6 329 A N S S+ 0 0 79 -3,-0.4 2,-0.3 1,-0.1 51,-0.3 0.916 106.4 27.0 -55.6 -56.0 70.6 40.5 73.1 7 330 A Y S S- 0 0 22 -4,-0.5 2,-0.2 49,-0.1 51,-0.2 -0.849 77.9-121.4-117.2 151.1 67.2 41.0 74.8 8 331 A V E -a 58 0A 67 49,-1.1 51,-2.3 -2,-0.3 2,-0.6 -0.556 11.4-140.5 -92.0 151.8 64.9 43.9 75.3 9 332 A T E -a 59 0A 21 -2,-0.2 2,-0.8 49,-0.2 51,-0.2 -0.947 18.2-142.4-112.7 110.3 63.7 45.4 78.5 10 333 A I + 0 0 2 49,-2.2 63,-0.4 -2,-0.6 3,-0.1 -0.645 34.0 158.4 -79.4 109.0 60.0 46.4 78.3 11 334 A L + 0 0 68 -2,-0.8 2,-0.3 61,-0.1 -1,-0.2 0.361 56.5 55.9-110.3 -0.1 59.4 49.6 80.2 12 335 A D S >> S- 0 0 70 1,-0.1 4,-1.8 61,-0.1 3,-0.6 -0.995 73.8-126.6-141.4 147.7 56.2 50.8 78.5 13 336 A E H 3> S+ 0 0 70 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.816 107.0 60.6 -51.9 -43.4 52.7 49.6 77.8 14 337 A E H 3> S+ 0 0 158 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.904 109.2 41.8 -56.2 -43.0 52.9 50.3 74.1 15 338 A T H <> S+ 0 0 45 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.835 112.5 54.4 -74.4 -32.5 55.8 47.8 73.7 16 339 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.891 108.4 49.7 -67.4 -40.9 54.2 45.3 76.0 17 340 A K H X S+ 0 0 94 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.840 107.4 54.3 -67.1 -31.5 51.0 45.3 73.9 18 341 A A H X S+ 0 0 54 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.911 112.0 45.0 -66.9 -42.1 53.2 44.8 70.7 19 342 A W H X S+ 0 0 20 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.888 108.2 55.7 -68.4 -41.0 54.7 41.8 72.3 20 343 A I H X S+ 0 0 14 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.867 107.5 51.5 -59.5 -37.4 51.3 40.4 73.6 21 344 A A H X S+ 0 0 40 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.879 111.7 45.8 -67.0 -39.1 50.1 40.6 70.0 22 345 A K H >X S+ 0 0 87 -4,-1.5 4,-0.7 1,-0.2 3,-0.5 0.894 111.9 52.5 -70.0 -38.5 53.1 38.6 68.8 23 346 A L H >< S+ 0 0 3 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.851 101.4 61.5 -64.0 -38.8 52.7 36.1 71.7 24 347 A E H 3< S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.790 109.9 39.6 -60.4 -31.7 49.0 35.5 70.7 25 348 A K H << S+ 0 0 170 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.523 88.9 108.5-100.0 -1.9 50.0 34.2 67.3 26 349 A A S << S- 0 0 23 -4,-0.7 66,-0.2 -3,-0.7 3,-0.1 -0.474 70.7-133.6 -74.1 139.3 53.0 32.2 68.3 27 350 A P S S- 0 0 112 0, 0.0 65,-0.4 0, 0.0 2,-0.3 0.836 88.1 -12.3 -60.0 -35.7 52.5 28.3 68.2 28 351 A V S S- 0 0 27 24,-0.2 2,-0.3 63,-0.1 65,-0.2 -0.941 70.5-165.4-157.7 157.9 54.1 28.0 71.6 29 352 A F E -b 93 0A 2 63,-1.3 65,-2.2 -2,-0.3 2,-0.3 -0.989 18.8-122.6-151.7 147.6 56.1 30.5 73.7 30 353 A A E +bC 94 51A 0 21,-2.2 21,-1.8 -2,-0.3 2,-0.3 -0.683 30.6 177.6 -91.2 146.9 58.4 30.2 76.7 31 354 A F E + C 0 50A 2 63,-2.2 2,-0.3 -2,-0.3 65,-0.2 -0.994 7.6 178.0-150.9 144.2 57.7 32.2 79.9 32 355 A D E - C 0 49A 26 17,-2.0 17,-2.4 -2,-0.3 2,-0.3 -0.967 17.3-138.3-143.4 153.4 59.2 32.5 83.3 33 356 A T E - C 0 48A 4 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.890 7.6-152.1-117.2 146.8 58.5 34.6 86.5 34 357 A E E + C 0 47A 15 13,-3.0 12,-2.8 -2,-0.3 13,-1.8 -0.960 21.6 173.4-118.3 138.6 61.0 36.3 88.8 35 358 A T E - C 0 45A 16 -2,-0.4 128,-0.6 10,-0.3 10,-0.2 -0.823 43.2-112.4-136.2 175.6 60.2 36.9 92.5 36 359 A D S S+ 0 0 47 8,-1.5 2,-0.3 -2,-0.2 9,-0.1 0.285 95.9 25.7 -94.9 11.5 61.7 38.1 95.8 37 360 A S - 0 0 45 7,-0.2 -1,-0.1 1,-0.1 6,-0.1 -0.975 63.8-130.0-168.9 153.3 61.7 34.7 97.5 38 361 A L S S+ 0 0 162 -2,-0.3 2,-1.1 -3,-0.1 -1,-0.1 0.679 85.1 98.8 -78.6 -22.7 61.7 30.9 96.9 39 362 A D >> - 0 0 54 1,-0.2 4,-1.5 -3,-0.1 3,-0.6 -0.595 64.3-159.4 -71.7 104.2 58.7 30.6 99.2 40 363 A N T 34 S+ 0 0 20 -2,-1.1 3,-0.2 1,-0.2 -1,-0.2 0.843 82.3 53.2 -52.9 -45.4 55.9 30.4 96.8 41 364 A I T 34 S+ 0 0 22 1,-0.2 -1,-0.2 177,-0.1 -2,-0.1 0.833 121.7 27.5 -68.3 -30.3 53.0 31.4 99.1 42 365 A S T <4 S+ 0 0 43 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.448 93.1 117.6-111.2 0.6 54.6 34.7 100.3 43 366 A A < - 0 0 1 -4,-1.5 2,-0.4 -3,-0.2 -5,-0.1 -0.240 55.2-138.2 -67.8 152.2 56.8 35.6 97.3 44 367 A N - 0 0 65 19,-0.0 -8,-1.5 0, 0.0 2,-0.5 -0.946 20.1-114.7-115.3 136.4 56.2 38.8 95.4 45 368 A L E +C 35 0A 0 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.590 34.6 173.6 -69.3 117.3 56.3 38.9 91.6 46 369 A V E - 0 0 2 -12,-2.8 16,-2.6 -2,-0.5 17,-2.4 0.749 60.7 -30.2 -95.6 -30.7 59.2 41.1 90.6 47 370 A G E -CD 34 61A 0 -13,-1.8 -13,-3.0 14,-0.2 -1,-0.3 -0.989 49.7-128.4-175.2 171.3 59.1 40.5 86.9 48 371 A L E -CD 33 60A 0 12,-1.7 12,-3.4 -2,-0.3 2,-0.3 -0.974 13.7-160.3-135.4 150.6 58.3 38.3 83.9 49 372 A S E -CD 32 59A 0 -17,-2.4 -17,-2.0 -2,-0.3 2,-0.3 -0.945 6.7-172.6-132.8 149.8 60.1 37.1 80.8 50 373 A F E -CD 31 58A 3 8,-2.1 8,-2.2 -2,-0.3 2,-0.3 -0.956 10.1-162.9-136.9 159.8 59.0 35.6 77.5 51 374 A A E +CD 30 57A 0 -21,-1.8 -21,-2.2 -2,-0.3 6,-0.2 -0.964 8.6 177.6-146.0 120.1 60.6 34.1 74.4 52 375 A I E S- 0 0 32 4,-1.9 -24,-0.2 -2,-0.3 5,-0.1 0.700 75.1 -2.6 -95.1 -17.9 58.7 33.7 71.0 53 376 A E E > S- D 0 56A 117 3,-1.0 3,-2.6 -27,-0.1 -1,-0.3 -0.969 98.6 -64.4-166.9 155.3 61.6 32.3 69.0 54 377 A P T 3 S+ 0 0 65 0, 0.0 127,-0.1 0, 0.0 126,-0.1 -0.299 124.7 10.7 -54.5 125.6 65.2 31.4 69.5 55 378 A G T 3 S+ 0 0 43 122,-0.1 2,-0.7 1,-0.1 125,-0.1 0.264 107.4 97.9 89.3 -10.3 67.1 34.6 70.2 56 379 A V E < + D 0 53A 47 -3,-2.6 -4,-1.9 124,-0.1 -3,-1.0 -0.830 48.0 131.2-115.0 95.7 64.0 36.7 70.6 57 380 A A E - D 0 51A 3 -2,-0.7 -49,-1.1 -51,-0.3 2,-0.3 -0.973 31.9-158.4-143.6 154.7 63.1 37.2 74.3 58 381 A A E -aD 8 50A 1 -8,-2.2 -8,-2.1 -2,-0.3 2,-0.4 -0.934 10.6-141.4-135.2 158.6 62.1 40.1 76.6 59 382 A Y E -aD 9 49A 0 -51,-2.3 -49,-2.2 -2,-0.3 -10,-0.2 -0.977 8.5-162.6-121.1 130.5 62.0 41.0 80.3 60 383 A I E - D 0 48A 2 -12,-3.4 -12,-1.7 -2,-0.4 2,-0.3 -0.893 10.5-159.0-113.6 97.2 59.2 43.0 81.8 61 384 A P E + D 0 47A 0 0, 0.0 12,-0.6 0, 0.0 -14,-0.2 -0.605 23.3 160.7 -76.3 134.1 60.2 44.5 85.3 62 385 A V + 0 0 13 -16,-2.6 13,-0.6 -2,-0.3 -15,-0.2 0.610 70.0 27.7-124.9 -23.3 57.3 45.4 87.4 63 386 A A + 0 0 22 -17,-2.4 2,-0.5 11,-0.1 -16,-0.1 -0.136 66.9 135.8-138.0 43.3 58.7 45.6 91.0 64 387 A H + 0 0 8 -18,-0.2 101,-0.2 6,-0.1 100,-0.1 -0.779 22.8 173.0 -86.1 133.3 62.4 46.5 91.2 65 388 A D + 0 0 108 99,-1.9 100,-0.2 -2,-0.5 3,-0.1 0.185 18.7 136.8-134.5 23.5 62.7 49.1 93.9 66 389 A Y S > S- 0 0 64 98,-0.8 3,-1.6 100,-0.2 100,-0.1 -0.085 74.3 -60.9 -62.3 168.3 66.3 49.9 94.6 67 390 A L T 3 S+ 0 0 148 1,-0.3 -1,-0.2 98,-0.1 -2,-0.0 -0.337 124.3 0.6 -56.1 127.1 67.4 53.5 95.1 68 391 A D T 3 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.740 83.7 174.5 62.4 32.1 66.6 55.5 91.9 69 392 A A < - 0 0 28 -3,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.473 35.0-110.5 -68.2 134.6 65.0 52.6 89.9 70 393 A P - 0 0 65 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.200 44.7 -78.7 -62.8 157.5 63.6 53.8 86.6 71 394 A D - 0 0 153 1,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.300 54.4-173.5 -59.1 140.4 59.8 53.9 86.0 72 395 A Q - 0 0 38 -10,-0.1 -10,-0.1 -3,-0.1 -61,-0.1 -0.863 36.9 -87.3-131.0 162.5 58.4 50.4 85.2 73 396 A I - 0 0 11 -12,-0.6 2,-0.1 -63,-0.4 -61,-0.1 -0.489 59.9-103.1 -66.6 144.3 55.0 49.3 84.1 74 397 A S > - 0 0 65 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 -0.469 20.1-120.5 -72.8 148.2 53.0 48.6 87.4 75 398 A R H > S+ 0 0 72 -13,-0.6 4,-1.9 1,-0.2 5,-0.1 0.860 113.7 50.0 -54.3 -36.9 52.6 45.1 88.5 76 399 A E H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 112.7 44.2 -71.2 -40.4 48.8 45.5 88.4 77 400 A R H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.894 113.6 50.5 -70.9 -41.6 48.7 47.0 84.9 78 401 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.936 112.7 47.3 -62.4 -44.6 51.1 44.4 83.5 79 402 A L H X S+ 0 0 7 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.847 109.1 51.7 -68.3 -35.6 49.1 41.6 84.9 80 403 A E H < S+ 0 0 119 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.832 113.7 45.4 -71.6 -27.8 45.7 42.8 83.7 81 404 A L H < S+ 0 0 33 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.863 119.0 41.7 -78.9 -35.6 47.1 43.1 80.2 82 405 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 3,-0.4 0.709 94.1 85.5 -82.7 -23.1 48.8 39.7 80.4 83 406 A K H X S+ 0 0 76 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.875 84.6 52.0 -47.7 -55.1 45.9 37.9 82.1 84 407 A P H 4 S+ 0 0 82 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.897 113.7 45.8 -52.0 -43.5 43.9 37.0 79.0 85 408 A L H >4 S+ 0 0 6 -3,-0.4 3,-0.8 -4,-0.4 6,-0.2 0.900 114.2 47.1 -66.0 -44.9 47.0 35.4 77.4 86 409 A L H 3< S+ 0 0 0 -4,-2.2 27,-2.3 1,-0.2 -1,-0.2 0.853 113.5 47.9 -66.6 -36.8 48.0 33.5 80.5 87 410 A E T 3< S+ 0 0 50 -4,-2.7 2,-0.8 -5,-0.2 -1,-0.2 0.371 85.6 107.7 -86.6 2.6 44.5 32.2 81.2 88 411 A D X - 0 0 68 -3,-0.8 3,-1.1 -4,-0.3 25,-0.1 -0.762 54.7-161.5 -86.7 112.7 44.0 31.0 77.6 89 412 A E T 3 S+ 0 0 121 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.740 92.5 56.8 -62.9 -22.8 44.1 27.2 77.5 90 413 A K T 3 S+ 0 0 151 2,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.682 86.4 82.7 -82.0 -23.6 44.7 27.5 73.7 91 414 A A S < S- 0 0 13 -3,-1.1 2,-0.3 -6,-0.2 -63,-0.1 -0.789 82.7-142.5 -84.7 104.8 47.8 29.7 74.1 92 415 A L - 0 0 62 -2,-1.0 -63,-1.3 -65,-0.4 2,-0.3 -0.581 15.5-158.0 -78.3 131.0 50.5 27.1 74.7 93 416 A K E -be 29 115A 0 21,-2.6 24,-2.2 -2,-0.3 23,-0.6 -0.819 10.4-163.5-113.7 145.5 53.3 27.7 77.2 94 417 A V E +be 30 117A 0 -65,-2.2 -63,-2.2 -2,-0.3 2,-0.3 -0.928 25.5 148.3-119.9 144.5 56.8 26.2 77.8 95 418 A G E - e 0 118A 0 22,-1.6 24,-1.7 -2,-0.4 2,-0.7 -0.988 49.7-104.2-169.8 162.8 58.8 26.7 81.0 96 419 A Q S S- 0 0 37 -2,-0.3 5,-0.1 1,-0.3 22,-0.1 -0.910 106.0 -11.2 -98.2 112.4 61.3 25.2 83.4 97 420 A N S >> S- 0 0 51 -2,-0.7 4,-0.8 1,-0.1 3,-0.6 0.996 72.7-174.6 57.8 70.9 59.4 24.0 86.5 98 421 A L H 3> S+ 0 0 0 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.644 71.2 79.9 -67.7 -20.3 56.0 25.6 85.6 99 422 A K H 3> S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.931 95.5 46.6 -52.5 -47.0 54.6 24.4 89.0 100 423 A Y H <> S+ 0 0 47 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.911 112.7 48.3 -62.4 -47.3 56.4 27.3 90.6 101 424 A D H X S+ 0 0 4 -4,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.877 107.1 55.7 -64.2 -38.9 55.2 29.9 88.0 102 425 A R H X S+ 0 0 16 -4,-2.8 4,-1.7 1,-0.2 10,-0.3 0.920 107.9 50.2 -61.6 -40.4 51.6 28.7 88.2 103 426 A G H X S+ 0 0 0 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.912 106.4 53.2 -64.7 -44.9 51.6 29.4 92.0 104 427 A I H >< S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.898 109.9 48.3 -57.4 -43.9 53.0 32.9 91.7 105 428 A L H ><>S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 5,-1.9 0.857 103.3 62.3 -65.9 -34.1 50.3 33.9 89.3 106 429 A A H ><5S+ 0 0 27 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.800 90.7 67.9 -61.8 -28.2 47.7 32.3 91.6 107 430 A N T <<5S+ 0 0 44 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.599 104.5 44.5 -66.1 -12.1 48.8 34.9 94.2 108 431 A Y T < 5S- 0 0 52 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.149 124.1 -97.7-119.8 20.2 47.2 37.5 91.9 109 432 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.686 80.8 135.2 73.6 20.4 44.0 35.8 91.1 110 433 A I < - 0 0 4 -5,-1.9 2,-0.8 -8,-0.1 -1,-0.2 -0.892 45.7-150.0-107.9 129.5 45.3 34.5 87.7 111 434 A E - 0 0 52 -2,-0.5 2,-0.3 -3,-0.1 -8,-0.1 -0.832 14.9-142.6-100.8 101.1 44.7 30.9 86.6 112 435 A L + 0 0 4 -2,-0.8 2,-0.3 -10,-0.3 -25,-0.2 -0.434 29.4 171.9 -64.5 116.7 47.6 29.7 84.4 113 436 A R + 0 0 107 -27,-2.3 -25,-0.2 -2,-0.3 3,-0.1 -0.796 50.2 55.0-122.1 166.8 46.2 27.5 81.7 114 437 A G + 0 0 14 -2,-0.3 -21,-2.6 1,-0.2 2,-2.3 0.812 59.4 168.2 79.1 28.1 47.9 26.0 78.6 115 438 A I E +e 93 0A 28 -3,-0.2 -1,-0.2 1,-0.2 96,-0.1 -0.513 18.3 143.9 -76.1 77.9 50.5 24.4 80.8 116 439 A A E + 0 0 25 -2,-2.3 2,-0.4 -23,-0.6 -1,-0.2 0.858 52.0 31.9 -89.5 -42.5 51.7 22.2 77.9 117 440 A F E -e 94 0A 21 -24,-2.2 -22,-1.6 -3,-0.3 2,-0.6 -0.972 47.4-179.8-132.1 128.1 55.5 21.8 78.2 118 441 A D E >> -e 95 0A 1 -2,-0.4 4,-1.8 -24,-0.2 3,-0.8 -0.956 16.0-157.3-121.1 108.5 57.9 21.7 81.1 119 442 A T H 3> S+ 0 0 0 -24,-1.7 4,-2.3 -2,-0.6 -23,-0.2 0.786 93.9 59.7 -57.1 -26.5 61.5 21.3 80.0 120 443 A M H 3> S+ 0 0 26 -25,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.895 110.4 40.7 -66.9 -41.2 62.3 19.8 83.4 121 444 A L H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.701 110.0 58.9 -79.0 -22.9 59.8 17.1 82.8 122 445 A E H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.972 110.4 43.2 -67.3 -51.3 60.9 16.7 79.2 123 446 A S H X S+ 0 0 3 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.877 113.1 53.0 -59.5 -41.3 64.4 15.9 80.4 124 447 A Y H < S+ 0 0 3 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.865 111.2 44.4 -66.1 -38.7 63.1 13.7 83.2 125 448 A I H < S+ 0 0 11 -4,-1.9 371,-0.3 2,-0.2 3,-0.2 0.812 108.8 57.7 -77.2 -28.3 61.0 11.5 80.9 126 449 A L H < S- 0 0 33 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 137.9 -19.9 -67.3 -43.3 63.7 11.2 78.2 127 450 A N >< - 0 0 48 -4,-1.7 3,-1.9 -5,-0.2 4,-0.3 -0.519 58.6-164.0-170.6 96.0 66.2 9.7 80.8 128 451 A S T 3 S+ 0 0 13 368,-0.5 3,-0.3 -4,-0.3 -3,-0.1 0.754 92.9 44.1 -55.9 -30.1 65.6 10.2 84.5 129 452 A V T 3 S+ 0 0 62 1,-0.2 -1,-0.3 210,-0.1 3,-0.1 0.252 79.4 102.2-103.0 13.4 69.1 9.2 85.4 130 453 A A S < S- 0 0 51 -3,-1.9 2,-0.3 -7,-0.2 -1,-0.2 0.746 98.3 -80.4 -65.9 -24.4 71.0 11.2 82.7 131 454 A G S S- 0 0 35 -3,-0.3 -1,-0.2 -4,-0.3 2,-0.2 -0.987 77.5 -16.5 155.2-157.5 71.9 13.8 85.3 132 455 A R - 0 0 169 -2,-0.3 205,-0.1 1,-0.1 -3,-0.0 -0.527 46.9-148.1 -80.3 146.1 70.3 16.7 87.1 133 456 A H + 0 0 16 203,-0.3 2,-0.2 -2,-0.2 -9,-0.1 0.099 56.7 117.2-103.3 24.2 67.2 18.2 85.5 134 457 A D S >> S- 0 0 38 1,-0.1 4,-2.3 -38,-0.0 3,-0.6 -0.512 78.0-107.1 -84.6 157.9 67.7 21.9 86.5 135 458 A M H 3> S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.824 115.0 54.7 -57.9 -37.7 68.1 24.5 83.8 136 459 A D H 3> S+ 0 0 59 1,-0.2 4,-1.1 2,-0.2 11,-0.2 0.853 113.8 42.4 -66.2 -32.5 71.8 25.1 84.3 137 460 A S H <> S+ 0 0 29 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.862 115.2 50.9 -78.9 -38.0 72.6 21.4 83.9 138 461 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.926 107.2 52.2 -64.2 -48.2 70.2 21.1 81.0 139 462 A A H X S+ 0 0 0 -4,-3.0 6,-1.6 1,-0.2 4,-1.6 0.888 113.0 44.8 -56.9 -43.1 71.6 24.1 79.1 140 463 A E H < S+ 0 0 95 -4,-1.1 4,-0.5 4,-0.3 -1,-0.2 0.807 116.4 46.8 -72.8 -30.0 75.1 22.6 79.3 141 464 A R H < S+ 0 0 82 -4,-1.6 -2,-0.2 2,-0.1 -3,-0.2 0.906 125.9 24.1 -79.7 -44.1 74.0 19.1 78.4 142 465 A W H < S+ 0 0 58 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.591 138.2 24.9 -97.9 -15.1 71.7 19.8 75.4 143 466 A L S < S- 0 0 31 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.1 0.398 88.5-128.5-131.3 0.7 73.1 23.2 74.2 144 467 A K + 0 0 174 -4,-0.5 2,-0.4 -6,-0.2 -4,-0.3 0.895 67.5 137.0 48.4 39.4 76.7 23.3 75.4 145 468 A H - 0 0 63 -6,-1.6 2,-0.8 -7,-0.1 -1,-0.2 -0.964 52.4-144.6-121.1 134.6 75.7 26.6 76.8 146 469 A K - 0 0 162 -2,-0.4 3,-0.1 -3,-0.1 -10,-0.1 -0.868 23.8-145.9-101.9 105.0 76.6 28.0 80.2 147 470 A T - 0 0 11 -2,-0.8 2,-0.4 -11,-0.2 27,-0.1 -0.134 25.8 -94.8 -66.0 159.3 73.7 30.0 81.6 148 471 A I - 0 0 6 26,-0.1 2,-0.2 25,-0.1 -1,-0.1 -0.643 48.4-132.9 -72.6 129.2 74.1 33.1 83.7 149 472 A T > - 0 0 36 -2,-0.4 4,-0.9 1,-0.1 3,-0.4 -0.536 12.4-119.4 -87.6 154.1 73.8 31.8 87.3 150 473 A F H >> S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.887 116.5 55.3 -56.9 -37.0 71.5 33.4 90.0 151 474 A E H 3> S+ 0 0 76 1,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.831 96.2 66.2 -63.7 -35.9 74.7 34.1 92.1 152 475 A E H 34 S+ 0 0 120 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.828 117.3 23.8 -57.2 -32.9 76.3 36.0 89.1 153 476 A I H << S+ 0 0 16 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.691 134.1 34.6-105.5 -25.4 73.7 38.7 89.4 154 477 A A H < S- 0 0 3 -4,-2.5 7,-2.8 1,-0.2 -3,-0.2 0.734 96.4-137.2-103.1 -27.5 72.5 38.4 93.1 155 478 A G < - 0 0 29 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 -0.578 19.0 -83.1 101.5-170.1 75.7 37.4 95.0 156 479 A K S S+ 0 0 164 -2,-0.2 3,-0.4 3,-0.1 5,-0.0 -0.841 75.6 27.0-133.0 171.4 76.3 34.8 97.7 157 480 A G S > S- 0 0 64 -2,-0.3 3,-1.1 1,-0.2 0, 0.0 -0.158 110.0 -43.5 71.9-169.0 76.1 34.6 101.5 158 481 A K T 3 S+ 0 0 217 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.714 133.9 64.7 -68.9 -21.7 73.7 36.5 103.7 159 482 A N T 3 S+ 0 0 163 -3,-0.4 -1,-0.3 2,-0.0 2,-0.3 0.110 73.7 133.3 -90.2 24.8 74.4 39.6 101.8 160 483 A Q < - 0 0 67 -3,-1.1 -5,-0.2 -5,-0.1 2,-0.1 -0.555 57.2-120.1 -76.2 136.9 72.8 38.2 98.7 161 484 A L - 0 0 66 -7,-2.8 2,-0.2 -2,-0.3 -1,-0.1 -0.387 15.8-127.8 -77.5 149.0 70.4 40.5 96.9 162 485 A T > - 0 0 56 -2,-0.1 3,-2.5 1,-0.1 4,-0.5 -0.668 36.6-100.0 -90.1 158.4 66.8 39.7 96.3 163 486 A F G > S+ 0 0 2 -128,-0.6 3,-1.2 1,-0.3 -127,-0.1 0.795 119.6 60.1 -49.4 -34.9 65.5 40.0 92.7 164 487 A N G 3 S+ 0 0 22 1,-0.2 -99,-1.9 -100,-0.1 -98,-0.8 0.570 100.5 56.7 -71.5 -10.4 63.9 43.5 93.2 165 488 A Q G < S+ 0 0 86 -3,-2.5 -1,-0.2 -101,-0.2 2,-0.2 0.520 86.0 97.1 -97.4 -11.7 67.3 45.0 94.2 166 489 A I S < S- 0 0 6 -3,-1.2 -100,-0.2 -4,-0.5 -12,-0.1 -0.554 86.7 -96.9 -81.2 143.3 69.1 44.0 91.0 167 490 A A > - 0 0 46 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.315 32.8-114.9 -60.4 142.1 69.5 46.6 88.2 168 491 A L H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.867 114.3 44.9 -42.5 -53.0 66.9 46.4 85.4 169 492 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 113.0 49.1 -64.6 -41.6 69.4 45.5 82.7 170 493 A E H > S+ 0 0 53 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.951 114.1 46.6 -62.3 -48.5 71.2 42.9 84.8 171 494 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.887 110.8 55.0 -58.3 -41.5 67.9 41.3 85.8 172 495 A G H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.3 5,-0.4 0.900 104.0 51.7 -59.7 -47.9 66.9 41.5 82.1 173 496 A R H X S+ 0 0 23 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.933 116.0 42.5 -54.4 -49.2 70.0 39.6 80.8 174 497 A Y H X S+ 0 0 31 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.957 118.4 40.8 -62.6 -57.4 69.3 36.8 83.3 175 498 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.843 115.1 49.5 -64.0 -41.6 65.6 36.4 83.0 176 499 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.848 109.5 52.9 -69.2 -33.3 65.4 36.8 79.2 177 500 A E H X S+ 0 0 2 -4,-1.4 4,-3.4 -5,-0.4 5,-0.3 0.881 105.8 54.1 -68.2 -39.4 68.1 34.2 78.7 178 501 A D H X S+ 0 0 14 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.934 111.1 45.5 -58.2 -48.6 66.2 31.7 80.8 179 502 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.897 115.9 47.1 -60.8 -43.4 63.1 32.2 78.7 180 503 A D H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 3,-0.3 0.967 114.3 45.0 -62.4 -57.7 65.3 31.9 75.5 181 504 A V H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.857 109.4 57.4 -57.1 -39.1 67.2 28.8 76.6 182 505 A T H X S+ 0 0 4 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.911 107.8 46.7 -59.4 -46.1 64.0 27.2 77.8 183 506 A L H X S+ 0 0 4 -4,-1.7 4,-2.3 -3,-0.3 -2,-0.2 0.904 113.0 48.8 -63.8 -41.9 62.4 27.5 74.4 184 507 A Q H X S+ 0 0 59 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.907 109.8 52.5 -64.5 -41.4 65.6 26.1 72.7 185 508 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.894 110.5 48.2 -60.1 -41.4 65.7 23.2 75.2 186 509 A H H X S+ 0 0 4 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.902 108.7 53.3 -64.3 -45.7 62.1 22.4 74.3 187 510 A L H < S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.788 113.7 43.5 -61.5 -29.7 62.8 22.6 70.6 188 511 A K H X S+ 0 0 117 -4,-1.6 4,-0.6 -5,-0.1 -2,-0.2 0.874 123.0 35.6 -82.3 -39.1 65.7 20.1 71.0 189 512 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.822 102.7 67.7 -85.7 -38.0 63.8 17.7 73.3 190 513 A W H < S+ 0 0 54 -4,-3.2 -1,-0.1 1,-0.2 -3,-0.1 0.840 103.6 45.8 -53.8 -42.2 60.2 17.7 72.1 191 514 A P H >4 S+ 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.915 112.2 51.4 -68.3 -42.0 61.0 16.0 68.8 192 515 A D H >< S+ 0 0 65 -4,-0.6 3,-1.4 1,-0.3 -2,-0.2 0.860 99.8 65.8 -58.9 -38.7 63.2 13.4 70.6 193 516 A L T 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.508 97.2 57.1 -64.3 -3.9 60.3 12.7 72.9 194 517 A Q T < S+ 0 0 79 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.584 75.4 86.8-107.4 -7.5 58.3 11.3 70.0 195 518 A K S < S+ 0 0 148 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.577 98.5 43.6 -65.1 -8.3 60.6 8.6 68.8 196 519 A H > - 0 0 84 -3,-0.2 4,-1.7 -4,-0.2 -1,-0.2 -0.920 65.6-154.9-147.1 120.3 58.8 6.4 71.5 197 520 A K H > S+ 0 0 150 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.717 92.0 62.1 -63.4 -23.8 55.1 6.2 72.3 198 521 A G H >> S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 3,-0.6 1.000 108.5 35.3 -65.2 -70.6 55.8 5.0 75.9 199 522 A P H 3> S+ 0 0 7 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.854 116.6 57.5 -51.4 -39.9 57.7 8.0 77.3 200 523 A L H 3X S+ 0 0 19 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.913 106.1 49.2 -60.4 -42.3 55.5 10.3 75.2 201 524 A N H S+ 0 0 0 -4,-1.9 5,-2.6 291,-0.2 4,-1.5 0.918 114.1 47.5 -62.6 -43.4 53.8 9.3 80.4 203 526 A F H <>S+ 0 0 2 -4,-2.6 5,-2.7 3,-0.2 -2,-0.2 0.926 119.6 38.1 -63.1 -48.4 54.9 12.9 79.7 204 527 A E H <5S+ 0 0 89 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.838 128.8 26.3 -72.0 -45.8 51.6 14.0 78.2 205 528 A N H <5S+ 0 0 93 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.548 133.7 24.8-101.1 -8.9 49.0 12.2 80.3 206 529 A I T X5S+ 0 0 1 -4,-1.5 4,-1.2 -5,-0.4 -3,-0.2 0.712 124.1 33.7-118.0 -64.1 50.8 11.7 83.6 207 530 A E H >4 S+ 0 0 45 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.827 106.9 60.1 -61.4 -27.7 48.6 17.2 83.9 210 533 A L H 3X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.4 5,-0.3 0.691 83.1 82.1 -73.5 -20.6 50.2 16.7 87.4 211 534 A V H S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.791 113.3 54.3 -68.9 -27.7 49.1 22.2 88.5 213 536 A V H X S+ 0 0 2 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.888 107.7 50.2 -72.6 -36.3 47.8 19.6 91.0 214 537 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.879 109.5 52.4 -64.2 -40.8 51.1 19.5 92.8 215 538 A S H X S+ 0 0 2 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.919 110.4 47.5 -59.1 -46.1 51.1 23.3 92.9 216 539 A R H X S+ 0 0 40 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.836 112.2 49.1 -65.9 -35.0 47.6 23.3 94.5 217 540 A I H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.921 113.3 47.1 -70.3 -44.1 48.7 20.6 97.0 218 541 A E H < S+ 0 0 26 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 114.1 46.7 -63.4 -42.4 51.8 22.6 97.9 219 542 A R H < S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.744 107.8 57.0 -74.0 -24.2 49.9 25.9 98.2 220 543 A N H < S- 0 0 46 -4,-1.3 -2,-0.2 330,-0.2 -1,-0.2 0.923 90.6-175.8 -69.9 -46.1 47.1 24.3 100.3 221 544 A G < - 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0 0 9 -5,-0.8 4,-2.7 1,-0.2 -1,-0.2 -0.534 30.9-159.0 -74.0 114.5 50.6 -16.0 88.3 395 721 A K H > S+ 0 0 172 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.803 91.2 56.8 -60.5 -32.9 47.1 -17.5 88.8 396 722 A G H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.967 112.3 38.2 -65.2 -54.0 47.9 -18.3 92.5 397 723 A L H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 117.3 52.2 -63.0 -44.0 48.8 -14.8 93.5 398 724 A L H X S+ 0 0 60 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 110.4 47.0 -59.3 -45.2 46.0 -13.3 91.3 399 725 A T H X S+ 0 0 53 -4,-2.5 4,-2.6 2,-0.2 6,-0.3 0.866 106.6 58.9 -66.6 -36.0 43.4 -15.6 92.9 400 726 A A H <>S+ 0 0 5 -4,-2.0 5,-1.7 1,-0.2 -2,-0.2 0.948 112.9 38.3 -57.9 -47.7 44.7 -14.8 96.4 401 727 A F H ><5S+ 0 0 14 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.852 113.0 59.9 -70.2 -34.4 44.1 -11.0 95.8 402 728 A A H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 107.9 41.5 -61.0 -46.4 40.8 -11.9 94.0 403 729 A E T 3<5S- 0 0 111 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.129 115.3-110.3 -91.7 20.9 39.2 -13.7 96.9 404 730 A G T < 5 + 0 0 69 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.610 65.3 150.2 64.9 17.0 40.3 -11.1 99.5 405 731 A K < - 0 0 84 -5,-1.7 2,-0.8 -6,-0.3 -1,-0.2 -0.397 58.3 -97.5 -81.7 156.6 42.8 -13.4 101.2 406 732 A D >> - 0 0 57 1,-0.2 4,-2.8 -2,-0.1 3,-0.7 -0.644 31.0-149.4 -70.9 109.6 45.9 -12.2 103.0 407 733 A I H 3> S+ 0 0 2 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.809 93.8 54.9 -54.3 -32.0 48.7 -12.7 100.4 408 734 A H H 3> S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 114.0 39.5 -70.0 -36.5 51.3 -13.3 103.1 409 735 A R H <> S+ 0 0 70 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.868 116.8 51.1 -77.0 -37.9 49.3 -16.1 104.8 410 736 A A H X S+ 0 0 9 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.903 110.6 49.6 -64.4 -40.4 48.2 -17.4 101.4 411 737 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.895 113.6 44.7 -64.3 -45.1 51.8 -17.5 100.2 412 738 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.812 107.0 60.2 -70.2 -31.1 53.0 -19.3 103.3 413 739 A A H <>S+ 0 0 17 -4,-2.1 5,-2.2 1,-0.2 -1,-0.2 0.877 114.7 36.2 -64.4 -35.6 50.0 -21.7 103.1 414 740 A E H <5S+ 0 0 89 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.892 118.3 48.5 -82.5 -44.7 51.4 -22.7 99.6 415 741 A V H <5S+ 0 0 5 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.846 123.0 32.2 -65.5 -39.0 55.1 -22.6 100.4 416 742 A F T <5S- 0 0 56 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.460 108.7-125.0 -97.6 -4.4 54.9 -24.6 103.6 417 743 A G T 5 + 0 0 62 -5,-0.2 -3,-0.2 -4,-0.2 -4,-0.1 0.983 62.4 117.5 59.5 69.9 52.0 -26.7 102.4 418 744 A L < - 0 0 40 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.988 68.0 -70.9-158.6 159.0 49.3 -26.3 105.1 419 745 A P >> - 0 0 73 0, 0.0 3,-0.5 0, 0.0 4,-0.5 -0.094 39.3-126.6 -52.2 148.0 45.8 -24.9 105.7 420 746 A L G >4 S+ 0 0 41 1,-0.2 3,-1.2 2,-0.2 -8,-0.0 0.920 107.4 55.6 -64.0 -46.0 45.3 -21.2 105.5 421 747 A E G 34 S+ 0 0 157 1,-0.2 -1,-0.2 -8,-0.0 -12,-0.0 0.701 110.1 48.1 -62.0 -20.8 43.5 -21.0 108.9 422 748 A T G <4 S+ 0 0 76 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.470 73.7 124.3-100.8 -4.9 46.5 -22.7 110.6 423 749 A V << - 0 0 10 -3,-1.2 2,-0.1 -4,-0.5 -10,-0.1 -0.400 57.5-133.3 -61.2 128.2 49.5 -20.7 109.2 424 750 A T > - 0 0 68 1,-0.1 4,-2.3 -12,-0.1 3,-0.4 -0.391 17.0-108.1 -79.7 164.4 51.5 -19.4 112.2 425 751 A S H > S+ 0 0 88 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.771 120.1 52.6 -62.5 -31.4 52.8 -15.9 112.7 426 752 A E H > S+ 0 0 121 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.798 110.6 48.3 -75.2 -29.6 56.4 -17.1 112.1 427 753 A Q H > S+ 0 0 37 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.875 111.6 48.5 -75.5 -39.8 55.3 -18.7 108.8 428 754 A R H X S+ 0 0 66 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.802 110.5 53.2 -67.4 -32.5 53.5 -15.5 107.7 429 755 A R H X S+ 0 0 148 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.852 108.2 49.8 -70.8 -36.1 56.5 -13.5 108.7 430 756 A S H X S+ 0 0 5 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.905 112.1 46.7 -69.3 -43.0 58.8 -15.8 106.5 431 757 A A H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.831 109.2 55.2 -66.4 -36.5 56.5 -15.5 103.5 432 758 A K H X S+ 0 0 50 -4,-1.6 4,-2.3 1,-0.2 5,-0.3 0.872 106.2 51.3 -64.6 -39.3 56.2 -11.7 103.9 433 759 A A H X S+ 0 0 26 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.832 112.8 46.1 -66.7 -35.1 60.0 -11.4 103.8 434 760 A I H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.950 111.4 51.4 -72.3 -49.6 60.1 -13.4 100.6 435 761 A N H X S+ 0 0 3 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.895 117.7 37.3 -54.8 -46.4 57.3 -11.4 99.0 436 762 A F H X S+ 0 0 71 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.771 111.6 60.8 -79.9 -24.0 58.9 -8.1 99.7 437 763 A G H >X>S+ 0 0 8 -4,-1.2 5,-3.2 -5,-0.3 3,-0.6 0.929 100.2 55.1 -67.4 -41.4 62.4 -9.4 99.0 438 764 A L H ><5S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.852 101.0 57.8 -59.7 -38.6 61.4 -10.3 95.4 439 765 A I H 3<5S+ 0 0 1 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 113.7 39.0 -62.1 -33.6 60.2 -6.7 94.7 440 766 A Y H <<5S- 0 0 125 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.435 117.1-114.6 -94.9 -2.1 63.7 -5.4 95.5 441 767 A G T <<5 - 0 0 15 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.804 45.2-166.0 72.2 30.7 65.4 -8.4 93.9 442 768 A M < - 0 0 68 -5,-3.2 -1,-0.2 -6,-0.1 2,-0.1 -0.249 16.5-122.5 -55.8 129.8 66.7 -9.7 97.2 443 769 A S >> - 0 0 68 1,-0.1 4,-1.6 4,-0.0 3,-1.5 -0.452 26.8-108.7 -73.2 143.9 69.4 -12.3 97.1 444 770 A A T 34 S+ 0 0 12 1,-0.3 4,-0.5 2,-0.2 12,-0.2 0.559 120.2 51.9 -49.6 -11.1 68.7 -15.6 98.9 445 771 A F T 3> S+ 0 0 101 2,-0.2 4,-1.2 3,-0.1 -1,-0.3 0.752 102.4 54.7 -97.9 -32.1 71.3 -14.6 101.5 446 772 A G H <> S+ 0 0 12 -3,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.820 106.5 54.5 -68.8 -31.2 69.9 -11.1 102.3 447 773 A L H >X S+ 0 0 5 -4,-1.6 4,-2.5 1,-0.2 3,-0.7 0.892 104.6 54.3 -66.6 -40.5 66.6 -12.9 103.0 448 774 A A H 3> S+ 0 0 6 -4,-0.5 4,-1.2 1,-0.2 5,-0.5 0.809 107.0 51.1 -63.6 -31.3 68.5 -15.1 105.5 449 775 A R H 3< S+ 0 0 144 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.650 113.0 44.7 -80.7 -18.8 69.8 -12.0 107.2 450 776 A Q H << S+ 0 0 101 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.797 121.4 37.7 -91.0 -35.6 66.3 -10.5 107.6 451 777 A L H < S- 0 0 31 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.642 101.4-132.3 -89.3 -17.7 64.7 -13.7 108.7 452 778 A N < + 0 0 114 -4,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.594 62.8 129.8 73.2 14.2 67.7 -14.8 110.9 453 779 A I - 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