==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 08-JUN-09 3HQY . COMPND 2 MOLECULE: CAMP AND CAMP-INHIBITED CGMP 3',5'-CYCLIC . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.PANDIT,E.S.MARR . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 1 1 1 0 0 0 2 1 2 0 1 3 1 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 453 A N 0 0 210 0, 0.0 25,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.7 27.6 -4.2 65.7 2 454 A L - 0 0 22 24,-0.1 5,-0.0 1,-0.1 21,-0.0 -0.374 360.0-114.6 -67.6 132.1 27.9 -3.1 62.0 3 455 A P >> - 0 0 58 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.245 28.5-110.5 -58.1 151.7 28.7 -5.7 59.4 4 456 A A H 3> S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.812 116.2 56.1 -55.0 -38.6 32.0 -5.4 57.6 5 457 A R H 3> S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.889 110.2 45.4 -65.5 -38.7 30.4 -4.5 54.3 6 458 A I H <> S+ 0 0 11 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.936 106.6 58.8 -69.4 -42.0 28.6 -1.6 55.9 7 459 A C H < S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.850 116.8 35.6 -54.9 -36.8 31.8 -0.5 57.8 8 460 A R H >< S+ 0 0 161 -4,-1.6 3,-1.3 -5,-0.2 -2,-0.2 0.932 119.8 44.3 -78.3 -55.0 33.4 -0.1 54.4 9 461 A D H >< S+ 0 0 30 -4,-2.8 3,-1.7 1,-0.3 6,-0.2 0.694 96.9 74.3 -72.8 -19.5 30.6 1.2 52.2 10 462 A I T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.722 88.9 62.1 -68.2 -19.9 29.3 3.7 54.7 11 463 A E T < S+ 0 0 52 -3,-1.3 2,-0.3 -5,-0.2 -1,-0.3 0.587 84.9 95.6 -80.6 -10.0 32.3 5.9 53.9 12 464 A L S X S- 0 0 71 -3,-1.7 3,-1.6 -4,-0.2 65,-0.1 -0.617 76.7-137.1 -81.9 136.7 31.1 6.2 50.3 13 465 A F T 3 S+ 0 0 14 -2,-0.3 -1,-0.1 1,-0.3 64,-0.1 0.903 105.8 53.9 -57.8 -35.2 29.1 9.3 49.5 14 466 A H T 3 S+ 0 0 70 204,-0.1 205,-0.4 2,-0.0 -1,-0.3 0.260 76.6 139.4 -89.4 14.3 26.8 7.1 47.5 15 467 A F < - 0 0 7 -3,-1.6 2,-0.4 -6,-0.2 -5,-0.1 -0.261 41.2-151.0 -50.7 138.3 26.0 4.6 50.3 16 468 A D - 0 0 61 202,-0.0 -2,-0.0 1,-0.0 -1,-0.0 -0.959 12.2-136.7-112.4 135.7 22.4 3.5 50.4 17 469 A I - 0 0 9 -2,-0.4 3,-0.3 1,-0.2 6,-0.1 0.466 41.5-128.6 -80.5 -0.0 21.3 2.5 53.9 18 470 A G - 0 0 12 1,-0.2 -1,-0.2 5,-0.0 6,-0.0 0.093 23.0 -78.1 82.5 168.4 19.4 -0.6 52.9 19 471 A P S S+ 0 0 96 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.405 94.4 102.1 -88.1 0.4 15.8 -1.9 53.5 20 472 A F > - 0 0 134 -3,-0.3 3,-1.7 1,-0.2 4,-0.5 -0.752 50.9-171.0 -92.1 95.8 16.4 -3.2 57.1 21 473 A E G > S+ 0 0 84 -2,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.805 79.2 62.4 -56.9 -38.0 14.8 -0.6 59.3 22 474 A N G 3 S+ 0 0 137 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.575 99.4 56.3 -66.8 -14.5 16.1 -2.0 62.6 23 475 A M G <> S+ 0 0 55 -3,-1.7 4,-2.1 2,-0.1 -1,-0.3 0.631 87.0 79.9 -84.2 -19.3 19.7 -1.4 61.4 24 476 A W H <> S+ 0 0 9 -3,-1.2 4,-2.4 -4,-0.5 5,-0.2 0.896 88.6 53.0 -63.9 -42.3 19.3 2.3 60.8 25 477 A P H > S+ 0 0 14 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.930 110.8 46.4 -56.4 -45.4 19.6 3.3 64.5 26 478 A G H > S+ 0 0 38 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.851 110.5 54.2 -68.4 -33.0 22.9 1.5 64.9 27 479 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.936 111.6 45.0 -62.0 -43.9 24.1 3.1 61.6 28 480 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.929 112.7 50.0 -67.9 -43.7 23.2 6.5 63.0 29 481 A V H X S+ 0 0 20 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.923 110.6 50.6 -59.7 -43.2 24.9 5.8 66.4 30 482 A Y H X S+ 0 0 54 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.931 111.3 48.5 -60.6 -47.0 28.0 4.6 64.6 31 483 A M H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.929 113.3 46.1 -59.0 -46.6 28.1 7.8 62.5 32 484 A I H X>S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 5,-0.8 0.930 111.2 53.3 -65.7 -39.5 27.7 10.0 65.5 33 485 A H H <5S+ 0 0 51 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 113.3 43.1 -59.6 -39.8 30.3 8.0 67.5 34 486 A R H <5S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.668 115.2 48.8 -80.5 -20.0 32.9 8.5 64.6 35 487 A S H <5S+ 0 0 5 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.479 134.9 2.4 -98.4 -9.5 32.0 12.2 64.1 36 488 A C T <5S- 0 0 29 -4,-1.0 2,-0.2 -3,-0.2 -3,-0.2 0.476 109.6 -79.5-138.6 -64.1 32.2 13.3 67.7 37 489 A G > < - 0 0 22 -5,-0.8 3,-0.6 1,-0.1 4,-0.3 -0.808 28.0-102.9 161.3 160.5 33.2 10.6 70.1 38 490 A T T 3 S+ 0 0 102 1,-0.3 5,-0.2 -2,-0.2 3,-0.2 0.597 126.0 55.7 -79.9 -13.0 31.7 7.6 72.0 39 491 A S T 3 S+ 0 0 127 -6,-0.1 -1,-0.3 1,-0.1 3,-0.1 -0.558 82.9 93.9-106.6 58.1 31.8 10.0 75.0 40 492 A C S < S+ 0 0 13 -3,-0.6 2,-0.3 1,-0.6 -2,-0.1 0.687 96.6 5.6-111.1 -47.5 29.7 12.5 73.0 41 493 A F S S- 0 0 14 -4,-0.3 -1,-0.6 -3,-0.2 2,-0.5 -0.965 85.0 -97.9-131.1 153.9 26.3 11.4 74.3 42 494 A E > - 0 0 127 -2,-0.3 4,-2.5 106,-0.2 3,-0.2 -0.630 38.0-136.1 -65.0 120.8 25.1 8.9 76.9 43 495 A L H > S+ 0 0 92 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.867 99.7 48.5 -50.0 -48.7 24.3 5.8 74.8 44 496 A E H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 113.4 47.3 -64.7 -41.0 21.0 5.0 76.6 45 497 A K H > S+ 0 0 47 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 111.8 50.5 -63.9 -46.7 19.7 8.6 76.3 46 498 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.888 109.5 50.6 -58.3 -43.1 20.7 8.8 72.6 47 499 A C H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.908 110.5 48.8 -65.4 -43.8 18.9 5.5 71.8 48 500 A R H X S+ 0 0 95 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.913 112.6 49.0 -59.1 -45.0 15.7 6.7 73.5 49 501 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.959 111.1 49.7 -61.6 -48.7 16.0 10.0 71.6 50 502 A I H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.886 110.9 48.7 -57.2 -44.2 16.5 8.1 68.3 51 503 A M H X S+ 0 0 102 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.855 110.9 50.4 -71.1 -32.8 13.5 5.8 68.8 52 504 A S H X S+ 0 0 22 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.839 110.3 50.4 -71.7 -32.2 11.3 8.7 69.7 53 505 A V H >< S+ 0 0 0 -4,-2.1 3,-0.9 2,-0.2 4,-0.3 0.938 109.4 51.1 -64.8 -48.2 12.4 10.5 66.5 54 506 A K H >< S+ 0 0 72 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.929 106.9 54.7 -51.0 -50.1 11.6 7.4 64.5 55 507 A K H 3< S+ 0 0 172 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.700 104.8 54.0 -61.0 -25.5 8.1 7.2 66.0 56 508 A N T << S+ 0 0 55 -3,-0.9 48,-1.5 -4,-0.8 2,-0.3 0.352 89.7 88.9 -98.6 6.0 7.4 10.8 65.0 57 509 A Y S < S- 0 0 16 -3,-1.8 2,-0.2 -4,-0.3 7,-0.1 -0.796 76.8-130.6 -87.0 149.2 8.2 10.3 61.3 58 510 A R - 0 0 110 5,-0.5 2,-1.9 47,-0.3 7,-0.3 -0.574 18.2-105.0-101.9 163.7 5.2 9.1 59.3 59 511 A R + 0 0 231 -2,-0.2 5,-0.1 5,-0.1 -1,-0.0 -0.520 67.5 140.7 -83.9 66.8 4.7 6.2 56.8 60 512 A V - 0 0 21 -2,-1.9 47,-0.1 3,-0.1 4,-0.1 -0.709 64.7-106.9-104.5 162.0 4.8 8.4 53.7 61 513 A P S S- 0 0 60 0, 0.0 169,-0.1 0, 0.0 3,-0.1 0.829 101.7 -4.8 -59.8 -34.9 6.4 7.4 50.5 62 514 A Y S S+ 0 0 27 167,-0.2 2,-2.8 168,-0.1 5,-0.4 0.718 118.2 67.2-129.4 -56.0 9.5 9.7 50.7 63 515 A H S S+ 0 0 32 4,-0.1 -5,-0.5 167,-0.1 42,-0.3 -0.277 85.7 115.9 -73.9 60.7 9.6 12.2 53.6 64 516 A N S > S- 0 0 34 -2,-2.8 4,-1.8 -7,-0.1 3,-0.2 -0.411 86.2 -78.1-120.7-175.2 10.0 9.3 56.1 65 517 A W H > S+ 0 0 12 -7,-0.3 4,-2.1 1,-0.2 5,-0.2 0.857 125.2 57.1 -58.9 -39.0 12.5 7.8 58.6 66 518 A K H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 106.5 49.0 -59.8 -43.0 14.6 6.3 55.8 67 519 A H H > S+ 0 0 11 -5,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.908 108.3 55.4 -61.8 -42.0 15.1 9.8 54.2 68 520 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.918 111.9 40.9 -58.7 -46.7 16.0 11.2 57.6 69 521 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.839 112.8 55.7 -73.9 -31.4 18.8 8.7 58.2 70 522 A T H X S+ 0 0 25 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.912 108.8 47.3 -65.7 -42.1 19.9 9.0 54.5 71 523 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.910 110.7 51.7 -65.9 -42.9 20.3 12.7 54.9 72 524 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 26,-0.2 -1,-0.2 0.886 107.8 54.1 -58.7 -38.4 22.3 12.3 58.1 73 525 A H H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.912 105.5 51.2 -64.4 -44.9 24.5 9.8 56.3 74 526 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.926 111.1 49.1 -56.0 -42.4 25.3 12.4 53.5 75 527 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.895 108.4 53.8 -65.5 -44.7 26.2 14.9 56.3 76 528 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.904 109.8 47.7 -47.8 -50.9 28.4 12.2 58.0 77 529 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.878 111.6 49.2 -66.9 -39.6 30.3 11.7 54.7 78 530 A I H < S+ 0 0 0 -4,-2.3 4,-0.3 -5,-0.2 3,-0.3 0.955 115.7 44.1 -61.1 -48.4 30.8 15.5 54.1 79 531 A L H >< S+ 0 0 4 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.925 110.6 53.8 -66.1 -44.4 32.1 15.9 57.7 80 532 A Q H 3< S+ 0 0 43 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.791 113.0 44.5 -53.9 -35.6 34.4 12.8 57.6 81 533 A N T 3< S+ 0 0 71 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.320 112.4 51.6 -98.2 6.0 36.0 14.2 54.4 82 534 A N S X S+ 0 0 14 -3,-1.4 3,-1.4 -4,-0.3 4,-0.5 -0.380 78.9 176.7-134.7 50.7 36.4 17.8 55.7 83 535 A N T 3 + 0 0 138 -3,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.248 61.6 25.5 -60.6 142.6 38.1 17.1 59.0 84 536 A G T 3 S+ 0 0 75 2,-0.3 -1,-0.2 -5,-0.1 3,-0.0 0.346 98.6 89.2 88.5 -5.1 39.2 20.1 61.0 85 537 A L S < S+ 0 0 70 -3,-1.4 2,-0.3 -6,-0.2 -2,-0.1 0.912 80.8 49.7 -87.9 -45.4 36.6 22.6 59.7 86 538 A F S S- 0 0 16 -4,-0.5 -2,-0.3 -7,-0.1 -1,-0.1 -0.714 81.6-119.8-103.4 142.5 33.6 22.1 62.0 87 539 A T > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.279 30.7-107.3 -70.9 162.4 33.6 22.2 65.8 88 540 A D H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 122.3 52.2 -54.7 -41.5 32.5 19.1 67.8 89 541 A L H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 109.2 48.1 -68.0 -41.2 29.4 21.0 68.7 90 542 A E H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.931 112.1 49.6 -62.0 -43.0 28.6 21.9 65.1 91 543 A R H X S+ 0 0 44 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.936 113.0 46.5 -67.1 -44.5 29.1 18.2 64.0 92 544 A K H X S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.943 115.9 46.4 -54.2 -54.2 26.9 16.9 66.8 93 545 A G H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.878 110.9 50.9 -58.6 -42.5 24.2 19.5 66.0 94 546 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.887 110.0 48.8 -71.6 -37.3 24.3 18.9 62.3 95 547 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.922 115.8 44.3 -69.1 -40.7 23.9 15.2 62.5 96 548 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.884 111.4 53.6 -65.7 -41.5 21.0 15.6 64.9 97 549 A A H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.945 109.6 49.3 -57.9 -43.9 19.5 18.3 62.7 98 550 A C H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.2 0.917 109.8 50.4 -63.5 -41.9 19.6 16.0 59.8 99 551 A L H 3< S+ 0 0 0 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.857 121.7 34.1 -63.6 -33.2 18.0 13.2 61.7 100 552 A C H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.438 85.7 106.2-100.1 -1.1 15.2 15.5 62.8 101 553 A H T << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.7 32,-0.2 0.575 88.8 32.1 -71.1 -16.6 14.9 17.7 59.7 102 554 A D T > S+ 0 0 4 -3,-0.3 3,-1.5 -4,-0.2 -1,-0.3 -0.005 82.5 163.9-118.9 24.8 11.6 16.3 58.3 103 555 A L T < S+ 0 0 0 -3,-1.8 -46,-0.2 1,-0.3 33,-0.1 -0.154 70.6 0.1 -52.1 131.6 9.9 15.4 61.6 104 556 A D T 3 S+ 0 0 19 -48,-1.5 -1,-0.3 1,-0.2 -47,-0.1 0.790 87.5 170.4 62.8 31.4 6.1 14.7 61.3 105 557 A H < - 0 0 11 -3,-1.5 -47,-0.3 -42,-0.3 -1,-0.2 -0.485 25.4-157.9 -73.3 147.2 6.1 15.5 57.6 106 558 A R - 0 0 60 2,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.516 45.7-101.6-103.2 -8.1 2.8 14.6 55.9 107 559 A G S S+ 0 0 6 1,-0.4 2,-0.3 -47,-0.1 130,-0.2 0.618 89.1 109.6 91.3 16.6 4.0 14.3 52.3 108 560 A F - 0 0 52 128,-0.1 -1,-0.4 129,-0.1 -2,-0.3 -0.952 65.0-118.2-124.4 149.1 2.8 17.7 51.3 109 561 A S > - 0 0 42 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.255 27.9-109.4 -77.8 160.4 4.6 21.0 50.5 110 562 A N H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 120.3 57.5 -54.2 -36.3 4.3 24.3 52.3 111 563 A S H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.926 105.5 49.0 -67.3 -40.1 2.5 25.6 49.3 112 564 A Y H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.919 110.4 50.9 -62.6 -43.7 -0.2 22.9 49.6 113 565 A L H X>S+ 0 0 6 -4,-2.2 5,-2.6 1,-0.2 4,-1.0 0.903 111.1 49.7 -61.6 -38.7 -0.6 23.6 53.4 114 566 A Q H ><5S+ 0 0 125 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.939 112.7 45.1 -64.4 -47.6 -1.0 27.4 52.6 115 567 A K H 3<5S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 113.4 51.0 -65.8 -35.4 -3.7 26.8 49.9 116 568 A F H 3<5S- 0 0 104 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.750 108.2-128.4 -70.2 -23.3 -5.5 24.3 52.1 117 569 A D T <<5 - 0 0 130 -4,-1.0 -3,-0.2 -3,-0.5 -2,-0.1 0.841 38.8-174.9 69.9 37.5 -5.4 26.9 55.0 118 570 A H >>< - 0 0 42 -5,-2.6 3,-1.3 -6,-0.2 4,-0.7 -0.380 34.9-118.8 -60.3 141.4 -3.9 24.3 57.3 119 571 A P H >> S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.822 112.1 63.6 -51.7 -35.1 -3.5 25.5 60.9 120 572 A L H 3> S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 -6,-0.1 0.842 98.0 56.3 -60.7 -32.5 0.3 25.1 60.7 121 573 A A H <4 S+ 0 0 17 -3,-1.3 -1,-0.2 2,-0.2 -7,-0.1 0.703 106.3 48.7 -73.2 -23.3 0.4 27.8 58.0 122 574 A A H << S+ 0 0 85 -3,-0.9 3,-0.3 -4,-0.7 -1,-0.2 0.827 115.4 45.6 -77.8 -37.5 -1.3 30.3 60.3 123 575 A L H < S+ 0 0 117 -4,-1.8 2,-0.5 1,-0.3 -2,-0.2 0.950 128.6 24.6 -67.7 -46.4 1.2 29.4 63.0 124 576 A Y < - 0 0 37 -4,-3.2 -1,-0.3 -5,-0.1 4,-0.1 -0.896 68.1-176.5-124.5 100.9 4.2 29.5 60.7 125 577 A S S S+ 0 0 87 -2,-0.5 2,-0.3 -3,-0.3 3,-0.3 0.847 71.4 36.8 -72.0 -36.1 3.7 31.7 57.7 126 578 A T S S+ 0 0 92 1,-0.2 5,-0.2 2,-0.1 -1,-0.0 -0.899 126.3 7.1-118.5 152.1 7.0 31.0 56.0 127 579 A S S > S+ 0 0 15 -2,-0.3 4,-2.6 3,-0.1 5,-0.2 0.915 81.7 177.5 45.3 52.0 9.0 27.8 55.8 128 580 A T H > + 0 0 4 -3,-0.3 4,-1.7 1,-0.3 5,-0.1 0.886 69.0 39.1 -56.7 -55.3 5.9 26.2 57.5 129 581 A M H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.871 114.8 55.7 -66.5 -35.5 6.8 22.6 57.7 130 582 A E H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.924 105.2 50.5 -67.6 -43.4 10.4 23.4 58.6 131 583 A Q H X S+ 0 0 66 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.894 113.4 48.6 -56.2 -39.5 9.4 25.6 61.6 132 584 A H H X S+ 0 0 15 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.920 105.3 55.9 -68.7 -42.9 7.3 22.6 62.6 133 585 A H H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.938 111.4 45.0 -55.3 -44.9 10.1 20.1 62.2 134 586 A F H X S+ 0 0 39 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.883 110.9 53.1 -65.0 -40.2 12.2 22.3 64.6 135 587 A S H X S+ 0 0 40 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.918 109.8 48.9 -59.1 -42.4 9.3 22.6 67.0 136 588 A Q H X S+ 0 0 37 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.874 107.7 55.1 -64.4 -40.6 9.0 18.8 67.0 137 589 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.941 110.7 44.5 -56.7 -49.3 12.7 18.4 67.6 138 590 A V H X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.895 110.3 54.3 -64.4 -42.6 12.5 20.6 70.7 139 591 A S H X S+ 0 0 58 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.876 109.4 48.9 -63.0 -35.1 9.4 18.8 72.0 140 592 A I H >< S+ 0 0 5 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.914 109.1 52.1 -70.2 -43.7 11.2 15.5 71.8 141 593 A L H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.782 105.8 56.7 -56.3 -30.4 14.3 16.9 73.6 142 594 A Q H 3< S+ 0 0 146 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.613 83.1 106.9 -84.0 -12.7 11.9 18.1 76.4 143 595 A L S X< S- 0 0 85 -3,-1.1 3,-2.4 -4,-0.5 4,-0.3 -0.331 90.5 -83.3 -62.3 149.1 10.5 14.6 77.1 144 596 A E T 3 S+ 0 0 194 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.325 114.6 2.8 -58.7 127.3 11.7 12.9 80.3 145 597 A G T 3 S+ 0 0 28 -3,-0.1 -1,-0.3 -4,-0.1 -96,-0.2 0.518 105.4 101.5 72.5 8.0 15.1 11.3 79.7 146 598 A H < + 0 0 17 -3,-2.4 2,-1.7 -5,-0.2 -2,-0.1 0.427 41.1 111.8-103.6 2.3 15.4 12.5 76.0 147 599 A N > + 0 0 43 -4,-0.3 3,-1.6 1,-0.2 4,-0.1 -0.546 35.5 174.3 -79.6 88.1 17.8 15.5 76.6 148 600 A I T 3 S+ 0 0 9 -2,-1.7 3,-0.2 1,-0.3 -106,-0.2 0.597 79.5 56.5 -66.8 -11.2 20.8 14.2 74.8 149 601 A F T > S+ 0 0 2 1,-0.1 3,-1.1 -8,-0.1 -1,-0.3 0.060 70.7 115.7-106.6 21.6 22.4 17.6 75.4 150 602 A S T < S+ 0 0 59 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.731 70.2 56.4 -69.0 -24.9 22.0 17.6 79.2 151 603 A T T 3 S+ 0 0 124 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.598 90.0 95.1 -81.2 -12.6 25.7 17.6 80.0 152 604 A L S < S- 0 0 23 -3,-1.1 -3,-0.0 1,-0.1 2,-0.0 -0.467 85.5-106.5 -72.8 150.5 26.2 20.8 78.0 153 605 A S > - 0 0 58 -2,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.270 36.1-103.7 -61.5 162.6 26.1 24.2 79.8 154 606 A S H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.863 123.7 52.7 -57.9 -38.7 23.0 26.3 79.2 155 607 A S H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 111.0 44.9 -63.4 -50.5 25.0 28.5 76.8 156 608 A E H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.855 112.3 54.1 -62.2 -36.8 26.2 25.5 74.8 157 609 A Y H X S+ 0 0 46 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.955 110.3 44.4 -60.2 -53.9 22.6 24.1 74.8 158 610 A E H X S+ 0 0 133 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.877 114.3 52.9 -57.3 -39.0 21.1 27.3 73.4 159 611 A Q H X S+ 0 0 98 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.917 109.7 45.3 -64.5 -48.3 24.0 27.4 70.9 160 612 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.869 110.6 53.8 -67.6 -34.8 23.4 23.9 69.6 161 613 A L H X S+ 0 0 25 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.819 109.3 49.4 -67.0 -31.0 19.6 24.4 69.3 162 614 A E H X S+ 0 0 73 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.852 108.6 52.1 -76.0 -36.2 20.3 27.5 67.2 163 615 A I H X S+ 0 0 17 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.954 114.5 44.3 -58.9 -49.2 22.7 25.5 65.0 164 616 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.910 111.8 52.3 -62.1 -43.7 19.9 22.9 64.6 165 617 A R H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.946 112.8 43.6 -60.9 -50.0 17.2 25.5 64.0 166 618 A K H X S+ 0 0 71 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.870 114.2 51.1 -64.8 -37.4 19.1 27.3 61.2 167 619 A A H X S+ 0 0 1 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.939 112.4 45.3 -69.6 -42.6 20.1 23.9 59.6 168 620 A I H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.943 112.5 50.0 -66.6 -46.5 16.5 22.7 59.6 169 621 A I H >< S+ 0 0 31 -4,-2.6 3,-2.1 1,-0.3 6,-0.2 0.889 103.0 62.7 -55.3 -41.4 15.1 26.0 58.3 170 622 A A H 3< S+ 0 0 18 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.714 86.7 72.6 -60.1 -23.6 17.7 25.9 55.5 171 623 A T T << + 0 0 11 -3,-1.2 2,-1.0 -4,-0.7 -1,-0.3 0.479 67.8 105.0 -72.4 -4.3 16.2 22.6 54.1 172 624 A D S X> S- 0 0 20 -3,-2.1 3,-2.2 1,-0.2 4,-0.6 -0.752 70.1-150.6 -71.8 105.8 13.3 24.8 52.9 173 625 A L H >> S+ 0 0 58 -2,-1.0 4,-0.8 1,-0.3 3,-0.5 0.717 89.5 71.6 -57.3 -24.6 14.4 24.7 49.2 174 626 A A H 34 S+ 0 0 74 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.851 99.1 49.1 -59.0 -31.2 12.8 28.1 48.6 175 627 A L H <> S+ 0 0 79 -3,-2.2 4,-1.9 -6,-0.2 -1,-0.2 0.700 95.1 74.3 -78.9 -22.8 15.7 29.5 50.7 176 628 A Y H S+ 0 0 41 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.901 116.9 50.9 -66.1 -43.1 19.1 33.0 47.4 179 631 A N H X S+ 0 0 21 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.920 111.2 47.2 -62.7 -44.9 21.7 31.3 49.7 180 632 A R H X S+ 0 0 61 -4,-3.5 4,-2.4 2,-0.2 -1,-0.2 0.893 109.7 53.9 -68.6 -35.8 23.5 29.7 46.8 181 633 A K H X S+ 0 0 126 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.935 110.9 46.6 -61.7 -45.3 23.5 33.0 44.8 182 634 A Q H X S+ 0 0 75 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 112.7 49.8 -62.3 -43.6 25.2 34.8 47.8 183 635 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.858 109.4 51.1 -65.8 -36.9 27.7 32.0 48.2 184 636 A E H X S+ 0 0 36 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.925 110.7 48.2 -67.9 -44.9 28.6 32.0 44.5 185 637 A E H X S+ 0 0 109 -4,-2.2 4,-1.7 1,-0.2 6,-0.3 0.905 111.8 51.1 -59.0 -40.7 29.2 35.7 44.6 186 638 A M H <>S+ 0 0 19 -4,-2.2 5,-1.9 1,-0.2 6,-1.2 0.895 110.3 49.8 -62.8 -39.7 31.3 35.3 47.8 187 639 A Y H ><5S+ 0 0 100 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.924 112.8 44.1 -63.5 -49.5 33.4 32.6 46.1 188 640 A Q H 3<5S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.715 114.3 47.9 -74.9 -28.5 34.2 34.4 43.0 189 641 A T T 3<5S- 0 0 93 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.460 109.2-123.5 -85.0 -4.1 35.1 37.7 44.7 190 642 A G T < 5S+ 0 0 65 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.674 78.5 121.4 67.7 21.6 37.3 35.8 47.1 191 643 A S < + 0 0 61 -5,-1.9 2,-0.2 -6,-0.3 -4,-0.2 0.510 28.3 120.8 -95.6 -5.5 35.2 37.3 50.0 192 644 A L - 0 0 43 -6,-1.2 2,-0.5 -9,-0.1 3,-0.1 -0.422 39.4-175.4 -65.3 128.0 34.0 34.0 51.6 193 645 A N > - 0 0 69 -2,-0.2 3,-2.1 1,-0.1 7,-0.3 -0.924 20.2-166.8-131.7 103.7 35.2 33.9 55.2 194 646 A L T 3 S+ 0 0 44 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.659 91.2 63.1 -67.6 -13.0 34.5 30.7 57.2 195 647 A H T 3 S+ 0 0 173 -3,-0.1 2,-0.5 4,-0.0 -1,-0.3 0.403 84.4 88.6 -86.9 0.5 35.5 32.6 60.4 196 648 A N S <> S- 0 0 59 -3,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.900 76.0-144.3 -99.4 119.8 32.5 35.0 59.8 197 649 A Q H > S+ 0 0 99 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.890 97.3 52.2 -56.8 -43.4 29.5 33.5 61.5 198 650 A S H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 113.2 44.2 -62.1 -41.5 27.0 34.7 58.8 199 651 A H H > S+ 0 0 23 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.898 112.3 53.6 -64.8 -43.3 29.1 33.1 56.0 200 652 A R H X S+ 0 0 31 -4,-2.5 4,-2.3 -7,-0.3 -2,-0.2 0.899 106.6 51.5 -57.1 -45.3 29.5 30.0 58.1 201 653 A D H X S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.899 109.8 50.7 -58.7 -43.3 25.7 29.7 58.5 202 654 A R H X S+ 0 0 80 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.916 109.7 49.1 -59.7 -45.4 25.3 30.0 54.7 203 655 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 111.2 49.5 -63.7 -41.1 27.8 27.3 54.1 204 656 A I H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.872 109.3 54.0 -65.0 -35.5 26.1 25.0 56.6 205 657 A G H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.919 108.5 47.4 -66.6 -43.6 22.8 25.8 54.9 206 658 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.895 109.5 53.7 -61.9 -41.1 24.2 24.7 51.5 207 659 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.899 107.7 51.3 -58.3 -43.0 25.5 21.6 53.2 208 660 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.915 111.0 47.9 -62.7 -42.6 22.0 20.9 54.4 209 661 A T H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.934 111.0 51.1 -58.2 -51.2 20.6 21.4 50.9 210 662 A A H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.869 113.9 43.6 -56.7 -41.4 23.2 19.1 49.5 211 663 A C H >< S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.914 112.8 52.0 -70.5 -42.3 22.4 16.4 52.0 212 664 A D H 3< S+ 0 0 21 -4,-2.7 3,-0.4 1,-0.3 -2,-0.2 0.889 114.7 42.8 -62.5 -37.3 18.6 16.8 51.6 213 665 A L T >< S+ 0 0 25 -4,-2.6 3,-2.3 1,-0.2 -1,-0.3 0.358 79.5 119.9 -87.1 8.6 19.0 16.5 47.8 214 666 A C G X + 0 0 2 -3,-1.3 3,-2.2 1,-0.3 4,-0.2 0.551 49.6 81.8 -65.3 -9.7 21.4 13.5 48.0 215 667 A S G > S+ 0 0 15 -3,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.841 88.7 58.7 -58.6 -29.4 19.2 11.0 46.1 216 668 A V G < S+ 0 0 9 -3,-2.3 80,-0.3 1,-0.2 -1,-0.3 0.422 100.6 56.6 -81.9 1.7 20.6 12.7 43.0 217 669 A T G < S+ 0 0 1 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.236 89.0 93.2-112.3 7.8 24.2 11.8 44.0 218 670 A K S < S- 0 0 5 -3,-1.1 2,-0.1 -4,-0.2 78,-0.1 -0.320 93.2 -75.5 -86.9 177.5 23.6 8.1 44.4 219 671 A L >> - 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