==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-FEB-11 3QPN . COMPND 2 MOLECULE: CAMP AND CAMP-INHIBITED CGMP 3',5'-CYCLIC PHOSPHO . 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) . 14501.0 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 . 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 . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 56.4 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 0 3 1 0 2 2 1 0 0 0 0 0 1 0 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 0 209 0, 0.0 26,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 151.9 27.7 -3.8 65.8 2 454 A L - 0 0 23 24,-0.1 5,-0.0 1,-0.1 21,-0.0 -0.359 360.0-111.6 -71.9 134.2 28.0 -3.1 62.1 3 455 A P > - 0 0 57 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.240 31.1-115.5 -48.6 146.6 28.5 -5.6 59.3 4 456 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.791 114.2 56.7 -59.7 -31.4 32.0 -5.4 57.7 5 457 A R H > S+ 0 0 127 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 109.8 44.3 -72.4 -34.1 30.4 -4.4 54.3 6 458 A I H > S+ 0 0 14 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.887 105.5 61.6 -74.9 -41.3 28.6 -1.4 55.8 7 459 A C H < S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.854 117.0 32.7 -49.9 -38.2 31.8 -0.4 57.8 8 460 A R H >< S+ 0 0 155 -4,-1.3 3,-1.3 -5,-0.2 -2,-0.2 0.927 120.9 46.1 -82.1 -51.5 33.5 0.0 54.4 9 461 A D H >< S+ 0 0 31 -4,-2.6 3,-1.8 1,-0.3 6,-0.2 0.743 97.6 72.9 -71.7 -23.9 30.6 1.2 52.2 10 462 A I T 3< S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.3 -3,-0.1 0.693 89.6 61.6 -63.9 -20.9 29.3 3.8 54.7 11 463 A E T < S+ 0 0 52 -3,-1.3 2,-0.3 -5,-0.2 -1,-0.3 0.599 85.6 94.3 -83.1 -11.4 32.3 6.0 54.0 12 464 A L S X S- 0 0 72 -3,-1.8 3,-1.5 -4,-0.2 65,-0.1 -0.617 76.9-135.3 -83.4 141.0 31.2 6.4 50.3 13 465 A F T 3 S+ 0 0 14 -2,-0.3 -1,-0.1 1,-0.3 64,-0.1 0.898 106.0 54.7 -59.8 -39.3 29.1 9.4 49.4 14 466 A H T 3 S+ 0 0 68 204,-0.1 205,-0.4 2,-0.0 -1,-0.3 0.238 77.3 141.2 -81.1 13.6 26.8 7.1 47.4 15 467 A F < - 0 0 8 -3,-1.5 2,-0.4 -6,-0.2 -5,-0.1 -0.247 40.0-151.4 -54.0 142.0 26.1 4.7 50.3 16 468 A D - 0 0 65 1,-0.1 -2,-0.0 202,-0.0 -1,-0.0 -0.969 11.8-137.7-114.2 138.4 22.4 3.4 50.4 17 469 A I - 0 0 11 -2,-0.4 3,-0.2 1,-0.1 6,-0.1 0.517 40.9-129.0 -79.3 -5.4 21.2 2.5 53.9 18 470 A G - 0 0 14 1,-0.2 -1,-0.1 5,-0.0 6,-0.1 0.114 24.0 -79.0 80.0 168.9 19.4 -0.6 52.8 19 471 A P S S+ 0 0 98 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.415 95.1 101.9 -90.5 3.3 15.8 -1.9 53.4 20 472 A F >> - 0 0 131 -3,-0.2 3,-1.5 1,-0.2 4,-0.7 -0.766 50.3-171.3 -92.5 104.8 16.3 -3.2 57.0 21 473 A E G >4 S+ 0 0 89 -2,-0.9 3,-0.6 1,-0.3 -1,-0.2 0.773 79.3 62.6 -70.0 -30.7 14.8 -0.5 59.3 22 474 A N G 34 S+ 0 0 136 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.599 101.2 55.8 -72.5 -10.2 16.1 -1.9 62.6 23 475 A M G <> S+ 0 0 53 -3,-1.5 4,-2.2 2,-0.1 3,-0.4 0.760 87.6 78.0 -87.3 -27.2 19.6 -1.4 61.3 24 476 A W H S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.898 110.5 49.0 -56.8 -41.3 19.5 3.4 64.3 26 478 A G H > S+ 0 0 42 -3,-0.4 4,-2.3 -4,-0.4 -2,-0.2 0.865 110.0 52.7 -67.5 -36.6 22.8 1.5 64.7 27 479 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.918 110.7 47.2 -59.8 -46.9 24.0 3.1 61.5 28 480 A F H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.906 111.4 50.2 -63.1 -44.8 23.2 6.6 62.9 29 481 A V H X S+ 0 0 20 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.928 110.8 49.4 -59.6 -46.7 24.9 5.8 66.3 30 482 A Y H X S+ 0 0 56 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 111.6 49.8 -57.7 -47.0 28.0 4.6 64.6 31 483 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.937 112.9 45.9 -55.7 -49.3 28.0 7.8 62.5 32 484 A I H X>S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.8 0.930 113.9 49.2 -59.6 -46.3 27.6 10.0 65.6 33 485 A H H X5S+ 0 0 45 -4,-3.2 4,-0.5 1,-0.2 -1,-0.2 0.834 112.7 47.2 -64.5 -35.5 30.3 8.1 67.4 34 486 A R H <5S+ 0 0 121 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.836 123.2 32.1 -75.0 -33.8 32.7 8.4 64.5 35 487 A S H <5S+ 0 0 8 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.804 135.0 22.7 -88.8 -35.0 32.1 12.1 64.0 36 488 A C H <5S- 0 0 18 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.1 0.744 108.3-103.2-110.0 -29.4 31.4 13.3 67.5 37 489 A G ><< - 0 0 29 -5,-0.8 3,-0.7 -4,-0.5 4,-0.5 -0.181 18.5-107.0 113.1 150.8 33.0 10.7 69.9 38 490 A T T 3 S+ 0 0 100 1,-0.2 5,-0.2 -5,-0.2 -1,-0.1 0.639 118.7 64.7 -82.7 -15.3 31.5 8.0 72.1 39 491 A S T 3 S+ 0 0 132 1,-0.1 -1,-0.2 -6,-0.1 3,-0.1 0.355 91.3 75.7 -81.3 5.7 32.1 10.1 75.1 40 492 A C S < S+ 0 0 21 -3,-0.7 2,-0.4 1,-0.2 111,-0.2 0.963 96.4 23.2 -88.0 -61.9 29.6 12.5 73.6 41 493 A F S S- 0 0 9 -4,-0.5 2,-0.4 109,-0.0 -1,-0.2 -0.922 80.2-113.9-108.8 137.8 26.1 11.2 74.1 42 494 A E > - 0 0 127 -2,-0.4 4,-2.3 106,-0.2 3,-0.3 -0.598 30.7-133.3 -63.5 123.3 24.9 8.7 76.7 43 495 A L H > S+ 0 0 90 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.817 100.0 47.0 -51.5 -50.0 23.9 5.6 74.7 44 496 A E H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 114.1 48.0 -61.4 -42.1 20.6 4.9 76.4 45 497 A K H > S+ 0 0 48 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.897 113.5 46.9 -67.1 -43.1 19.4 8.5 76.2 46 498 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.888 113.0 49.6 -66.4 -44.4 20.4 8.8 72.5 47 499 A C H X S+ 0 0 54 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 110.4 50.0 -58.1 -48.1 18.7 5.5 71.7 48 500 A R H X S+ 0 0 90 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.897 113.8 46.9 -55.6 -44.3 15.6 6.7 73.5 49 501 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.955 110.2 51.3 -64.0 -51.4 15.8 9.9 71.4 50 502 A I H X S+ 0 0 1 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.890 110.3 49.3 -53.9 -43.4 16.4 8.1 68.1 51 503 A M H X S+ 0 0 98 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.805 111.3 48.7 -71.4 -32.7 13.3 5.8 68.6 52 504 A S H X S+ 0 0 19 -4,-1.5 4,-1.2 -3,-0.3 -1,-0.2 0.846 110.6 50.8 -72.0 -34.9 11.0 8.7 69.5 53 505 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 2,-0.2 4,-0.5 0.971 110.4 50.5 -64.4 -51.7 12.2 10.6 66.4 54 506 A K H >< S+ 0 0 75 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.901 107.5 54.5 -42.9 -53.9 11.5 7.5 64.3 55 507 A K H 3< S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.741 104.3 54.2 -57.9 -31.9 8.0 7.3 65.8 56 508 A N T << S+ 0 0 54 -4,-1.2 48,-1.1 -3,-0.9 -1,-0.3 0.439 89.1 93.4 -92.7 3.4 7.2 10.8 64.8 57 509 A Y S < S- 0 0 18 -3,-1.7 2,-0.2 -4,-0.5 7,-0.1 -0.658 74.8-127.4 -81.9 151.6 8.0 10.2 61.2 58 510 A R - 0 0 102 5,-0.4 2,-1.8 47,-0.3 7,-0.4 -0.603 17.5-106.9-104.7 161.0 5.1 9.2 59.0 59 511 A R + 0 0 250 -2,-0.2 5,-0.1 5,-0.1 47,-0.0 -0.453 68.2 141.1 -81.3 62.3 4.4 6.3 56.6 60 512 A V - 0 0 22 -2,-1.8 47,-0.1 45,-0.1 4,-0.1 -0.682 63.3-111.5-101.4 161.3 4.7 8.5 53.5 61 513 A P S S- 0 0 58 0, 0.0 169,-0.1 0, 0.0 3,-0.1 0.818 99.5 -3.6 -61.5 -36.0 6.4 7.4 50.3 62 514 A Y S S+ 0 0 28 167,-0.2 2,-2.3 168,-0.1 5,-0.3 0.731 117.9 65.0-128.4 -52.4 9.5 9.7 50.4 63 515 A H S S+ 0 0 33 166,-0.2 -5,-0.4 4,-0.1 42,-0.3 -0.339 86.7 117.4 -82.1 61.6 9.7 12.2 53.3 64 516 A N S > S- 0 0 34 -2,-2.3 4,-2.0 -7,-0.1 3,-0.2 -0.361 85.2 -74.1-117.0-172.3 9.9 9.3 55.8 65 517 A W H > S+ 0 0 13 -7,-0.4 4,-1.9 1,-0.2 5,-0.2 0.900 126.9 54.8 -52.9 -46.4 12.2 7.7 58.4 66 518 A K H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 107.2 50.0 -52.8 -45.9 14.5 6.3 55.7 67 519 A H H > S+ 0 0 10 -5,-0.3 4,-2.4 -3,-0.2 5,-0.2 0.908 106.6 55.6 -61.2 -44.6 15.0 9.7 54.1 68 520 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.928 111.2 43.1 -50.3 -52.9 15.9 11.2 57.5 69 521 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.853 112.7 54.0 -67.9 -34.8 18.7 8.7 58.1 70 522 A T H X S+ 0 0 27 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.861 108.3 48.3 -66.7 -41.9 19.9 9.0 54.4 71 523 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.876 111.5 51.6 -64.5 -40.6 20.2 12.8 54.7 72 524 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.899 108.3 51.4 -64.3 -40.7 22.2 12.3 58.0 73 525 A H H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.905 107.4 51.8 -62.1 -43.8 24.5 9.8 56.2 74 526 A C H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.928 110.6 48.7 -58.1 -42.9 25.2 12.3 53.5 75 527 A M H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.909 109.6 52.9 -60.5 -47.5 26.1 14.9 56.2 76 528 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.888 109.4 49.3 -50.7 -46.9 28.3 12.3 57.9 77 529 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.922 111.4 47.9 -65.1 -44.6 30.1 11.7 54.6 78 530 A I H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.938 115.6 46.0 -55.9 -48.7 30.6 15.5 54.0 79 531 A L H >< S+ 0 0 7 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.895 108.9 53.5 -68.4 -39.9 31.9 15.9 57.6 80 532 A Q H 3< S+ 0 0 49 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.751 110.9 48.1 -59.6 -30.2 34.3 12.8 57.5 81 533 A N T 3< S+ 0 0 71 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.271 110.8 50.6-101.0 8.0 35.9 14.2 54.3 82 534 A N S X> S+ 0 0 11 -3,-1.2 3,-1.6 -4,-0.2 4,-0.5 -0.331 77.0 178.3-138.1 49.8 36.4 17.8 55.7 83 535 A N T 34 + 0 0 153 -3,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.218 65.9 23.8 -53.7 138.1 38.1 17.1 59.1 84 536 A G T 34 S+ 0 0 68 2,-0.3 -1,-0.2 1,-0.0 3,-0.0 0.168 99.1 89.9 90.5 -15.9 39.0 20.2 61.1 85 537 A L T <4 S+ 0 0 68 -3,-1.6 2,-0.3 -6,-0.2 -2,-0.1 0.944 82.2 49.1 -79.0 -44.0 36.5 22.6 59.5 86 538 A F S < S- 0 0 11 -4,-0.5 -2,-0.3 -7,-0.2 -1,-0.1 -0.769 81.6-120.1-107.1 140.3 33.5 22.1 61.8 87 539 A T > - 0 0 68 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.205 30.8-107.4 -69.8 161.8 33.4 22.2 65.6 88 540 A D H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.890 122.7 49.1 -60.3 -40.9 32.3 19.2 67.7 89 541 A L H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.873 109.8 50.3 -65.0 -44.5 29.1 21.0 68.6 90 542 A E H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.950 112.0 48.5 -57.7 -46.3 28.5 21.8 64.9 91 543 A R H X S+ 0 0 47 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.927 113.9 45.9 -61.8 -46.9 29.0 18.2 64.0 92 544 A K H X S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.930 116.4 45.5 -56.5 -55.9 26.7 17.0 66.8 93 545 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.881 111.5 51.2 -57.1 -44.9 24.0 19.5 65.8 94 546 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.899 111.3 46.4 -65.8 -42.7 24.1 18.9 62.1 95 547 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.896 116.4 45.8 -63.1 -41.3 23.8 15.1 62.3 96 548 A I H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.866 110.7 53.0 -69.8 -35.5 20.9 15.6 64.8 97 549 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.923 109.1 50.4 -64.4 -44.3 19.3 18.3 62.5 98 550 A C H < S+ 0 0 0 -4,-2.2 -26,-0.2 1,-0.2 4,-0.2 0.877 108.6 50.7 -59.5 -43.2 19.5 15.9 59.6 99 551 A L H < S+ 0 0 0 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.831 123.4 31.7 -62.9 -31.3 17.8 13.1 61.6 100 552 A C H >< S+ 0 0 0 -4,-1.4 3,-2.4 -3,-0.2 -2,-0.2 0.565 85.7 105.2-103.2 -8.4 15.0 15.4 62.6 101 553 A H T 3< S+ 0 0 0 -4,-1.5 32,-0.2 1,-0.3 -1,-0.2 0.559 89.2 35.9 -64.5 -18.9 14.7 17.8 59.6 102 554 A D T > S+ 0 0 4 -4,-0.2 3,-1.5 -3,-0.2 -1,-0.3 -0.009 82.1 165.7-115.7 25.8 11.5 16.3 58.2 103 555 A L T < S- 0 0 0 -3,-2.4 -46,-0.2 1,-0.3 33,-0.1 -0.127 70.8 -2.7 -51.1 126.3 9.7 15.5 61.6 104 556 A D T 3 S+ 0 0 21 -48,-1.1 -1,-0.3 1,-0.2 2,-0.2 0.825 86.8 174.7 62.9 34.9 6.0 14.7 61.2 105 557 A H < - 0 0 13 -3,-1.5 -47,-0.3 -42,-0.3 -1,-0.2 -0.547 22.6-160.8 -72.3 138.4 6.0 15.4 57.4 106 558 A R - 0 0 73 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.395 46.1-103.6-104.4 0.1 2.7 14.6 55.7 107 559 A G S S+ 0 0 7 1,-0.3 2,-0.3 -44,-0.1 130,-0.2 0.596 88.4 110.2 87.7 14.3 4.0 14.3 52.2 108 560 A F - 0 0 53 128,-0.1 -2,-0.3 129,-0.1 -1,-0.3 -0.931 63.7-121.0-123.3 144.0 2.6 17.8 51.2 109 561 A S > - 0 0 37 -2,-0.3 4,-2.2 -3,-0.1 5,-0.1 -0.211 27.9-106.0 -79.2 170.6 4.5 21.1 50.5 110 562 A N H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.854 121.2 57.9 -64.0 -34.3 4.2 24.5 52.2 111 563 A S H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 105.9 47.2 -62.4 -46.2 2.3 25.7 49.1 112 564 A Y H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.919 112.2 50.8 -61.4 -43.4 -0.4 23.0 49.6 113 565 A L H X>S+ 0 0 3 -4,-2.2 5,-2.2 2,-0.2 4,-1.3 0.949 111.5 47.9 -59.8 -47.9 -0.6 23.8 53.3 114 566 A Q H ><5S+ 0 0 130 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.953 114.4 45.8 -55.2 -52.4 -1.0 27.5 52.5 115 567 A K H 3<5S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.857 113.0 50.6 -60.1 -35.9 -3.7 26.8 49.8 116 568 A F H 3<5S- 0 0 101 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.746 106.7-128.9 -71.6 -21.6 -5.5 24.4 52.2 117 569 A D T <<5 - 0 0 134 -4,-1.3 -3,-0.2 -3,-0.8 -2,-0.1 0.887 38.7-173.1 65.4 41.6 -5.5 27.0 55.0 118 570 A H >>< - 0 0 39 -5,-2.2 3,-1.0 -6,-0.1 4,-0.7 -0.377 35.6-116.5 -59.5 142.2 -4.0 24.4 57.3 119 571 A P H >> S+ 0 0 97 0, 0.0 4,-1.6 0, 0.0 3,-1.3 0.879 114.2 63.1 -42.7 -42.2 -3.7 25.5 61.0 120 572 A L H 3> S+ 0 0 16 1,-0.3 4,-3.4 2,-0.2 -6,-0.1 0.815 95.9 57.8 -58.9 -35.4 0.2 25.2 60.7 121 573 A A H <4 S+ 0 0 18 -3,-1.0 -1,-0.3 2,-0.2 -7,-0.1 0.681 105.0 50.0 -68.5 -24.0 0.3 28.0 58.0 122 574 A A H << S+ 0 0 89 -3,-1.3 3,-0.3 -4,-0.7 -1,-0.2 0.845 115.5 44.4 -79.2 -37.0 -1.4 30.5 60.4 123 575 A L H < S+ 0 0 117 -4,-1.6 2,-0.6 1,-0.3 -2,-0.2 0.949 129.3 23.9 -66.2 -53.1 1.2 29.6 63.0 124 576 A Y < - 0 0 39 -4,-3.4 -1,-0.3 1,-0.1 4,-0.1 -0.886 66.2-179.7-122.2 98.2 4.2 29.6 60.7 125 577 A S S S+ 0 0 92 -2,-0.6 2,-0.3 -3,-0.3 3,-0.3 0.860 72.7 39.0 -68.0 -39.3 3.6 31.8 57.6 126 578 A T S S+ 0 0 94 1,-0.2 5,-0.2 2,-0.1 -1,-0.0 -0.861 128.4 4.7-112.9 151.1 7.0 31.2 56.0 127 579 A S S > S+ 0 0 13 -2,-0.3 4,-3.1 3,-0.1 5,-0.3 0.892 80.6 175.1 40.2 52.8 8.9 27.8 55.9 128 580 A T H > + 0 0 5 -3,-0.3 4,-2.3 1,-0.2 5,-0.1 0.914 69.8 40.7 -55.3 -59.4 5.8 26.3 57.6 129 581 A M H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.912 115.9 52.0 -56.6 -44.6 6.8 22.7 57.6 130 582 A E H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 108.2 49.1 -65.2 -46.7 10.4 23.5 58.5 131 583 A Q H X S+ 0 0 69 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.927 114.4 48.9 -53.6 -45.8 9.3 25.6 61.5 132 584 A H H X S+ 0 0 16 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.930 107.1 53.5 -58.3 -47.3 7.1 22.7 62.5 133 585 A H H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.915 112.1 45.7 -55.2 -44.1 9.9 20.1 62.1 134 586 A F H X S+ 0 0 38 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.896 110.2 53.0 -66.9 -40.4 12.0 22.2 64.5 135 587 A S H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 110.8 48.3 -58.9 -42.1 9.1 22.6 66.9 136 588 A Q H X S+ 0 0 38 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.900 108.0 54.5 -61.9 -45.5 8.8 18.8 66.9 137 589 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.896 110.8 46.1 -51.6 -48.9 12.5 18.4 67.5 138 590 A V H X S+ 0 0 29 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.905 109.0 54.6 -63.0 -45.3 12.3 20.6 70.6 139 591 A S H < S+ 0 0 60 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.867 108.6 49.4 -61.4 -34.2 9.2 18.8 71.9 140 592 A I H >< S+ 0 0 6 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.899 108.2 52.2 -71.2 -45.2 11.1 15.4 71.7 141 593 A L H 3< S+ 0 0 3 -4,-1.8 5,-0.3 1,-0.2 -1,-0.2 0.841 105.5 57.6 -51.2 -39.3 14.2 16.8 73.5 142 594 A Q T 3< S+ 0 0 142 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.557 83.2 106.2 -75.6 -12.1 11.8 18.0 76.3 143 595 A L S X S- 0 0 82 -3,-1.1 3,-2.6 -4,-0.3 4,-0.3 -0.459 91.1 -85.6 -65.3 140.1 10.4 14.5 76.9 144 596 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.258 114.0 3.0 -49.3 123.7 11.6 12.8 80.1 145 597 A G T 3 S+ 0 0 29 -3,-0.1 -1,-0.3 -4,-0.1 -96,-0.2 0.527 106.7 99.1 75.0 9.3 15.0 11.1 79.4 146 598 A H < + 0 0 17 -3,-2.6 2,-1.5 -5,-0.3 -2,-0.1 0.384 43.8 111.2-105.6 0.6 15.2 12.3 75.8 147 599 A N > + 0 0 41 -4,-0.3 3,-1.4 1,-0.2 -101,-0.1 -0.626 37.9 176.7 -84.8 92.4 17.5 15.3 76.3 148 600 A I T 3 S+ 0 0 8 -2,-1.5 3,-0.2 1,-0.3 -1,-0.2 0.509 78.5 56.3 -71.3 -8.4 20.7 14.1 74.6 149 601 A F T > + 0 0 3 1,-0.1 3,-1.6 -8,-0.1 -1,-0.3 0.097 69.5 117.8-107.7 21.3 22.4 17.5 75.3 150 602 A S T < S+ 0 0 59 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.734 71.7 55.2 -65.1 -25.2 21.8 17.3 79.1 151 603 A T T 3 S+ 0 0 118 -3,-0.2 -1,-0.3 -111,-0.2 2,-0.1 0.543 91.9 91.2 -84.7 -9.2 25.6 17.3 79.8 152 604 A L S < S- 0 0 26 -3,-1.6 2,-0.1 1,-0.1 -3,-0.0 -0.455 85.5-103.7 -77.9 158.8 26.1 20.6 77.9 153 605 A S > - 0 0 57 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.397 34.7-102.7 -70.5 160.0 25.9 24.0 79.6 154 606 A S H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.856 123.7 51.1 -42.3 -46.0 22.9 26.2 79.1 155 607 A S H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 111.4 43.5 -65.3 -53.5 25.0 28.3 76.7 156 608 A E H > S+ 0 0 81 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.860 113.3 54.8 -59.9 -40.4 26.1 25.4 74.5 157 609 A Y H X S+ 0 0 50 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.948 111.0 43.0 -56.1 -53.2 22.5 24.0 74.7 158 610 A E H X S+ 0 0 131 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.820 115.6 52.4 -60.8 -35.9 21.1 27.3 73.3 159 611 A Q H X S+ 0 0 97 -4,-2.0 4,-1.9 2,-0.2 3,-0.3 0.939 110.3 44.6 -67.7 -52.1 23.9 27.4 70.8 160 612 A V H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.844 111.2 53.6 -65.4 -35.9 23.3 23.8 69.4 161 613 A L H X S+ 0 0 25 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.786 109.6 50.2 -62.5 -31.3 19.5 24.3 69.2 162 614 A E H X S+ 0 0 71 -4,-1.0 4,-2.7 -3,-0.3 5,-0.2 0.868 109.9 49.0 -74.0 -40.5 20.2 27.5 67.2 163 615 A I H X S+ 0 0 20 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.954 115.1 45.2 -60.9 -53.8 22.5 25.5 64.9 164 616 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.901 111.8 53.0 -53.0 -48.4 19.8 22.8 64.5 165 617 A R H X S+ 0 0 89 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.971 112.7 42.0 -57.1 -56.6 17.1 25.5 64.0 166 618 A K H X S+ 0 0 72 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.861 114.7 51.7 -60.7 -37.4 18.9 27.3 61.1 167 619 A A H X S+ 0 0 1 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.966 112.2 45.2 -67.0 -46.8 20.0 24.0 59.5 168 620 A I H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.940 113.7 49.4 -60.4 -46.6 16.4 22.6 59.5 169 621 A I H >< S+ 0 0 25 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.868 102.8 62.0 -60.5 -36.9 14.9 25.9 58.2 170 622 A A H 3< S+ 0 0 18 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.680 86.2 74.9 -64.1 -19.9 17.6 25.9 55.4 171 623 A T T << + 0 0 8 -3,-1.4 2,-1.0 -4,-0.7 -1,-0.3 0.472 68.1 103.1 -69.3 -2.7 16.0 22.6 54.1 172 624 A D X> - 0 0 19 -3,-1.9 3,-2.0 1,-0.2 4,-0.5 -0.780 69.0-154.8 -77.8 103.2 13.2 24.8 52.8 173 625 A L H >> S+ 0 0 54 -2,-1.0 4,-0.9 1,-0.3 3,-0.6 0.704 87.7 73.6 -58.6 -24.9 14.4 24.7 49.2 174 626 A A H 34 S+ 0 0 75 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.843 99.7 47.1 -54.4 -32.4 12.6 28.1 48.6 175 627 A L H <> S+ 0 0 79 -3,-2.0 4,-2.1 -6,-0.2 -1,-0.2 0.683 95.8 74.5 -80.9 -22.2 15.6 29.5 50.6 176 628 A Y H S+ 0 0 43 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.905 116.6 50.6 -59.5 -46.8 19.0 33.0 47.4 179 631 A N H X S+ 0 0 21 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.923 109.6 49.4 -62.7 -43.4 21.6 31.3 49.6 180 632 A R H X S+ 0 0 62 -4,-3.5 4,-2.6 1,-0.2 -1,-0.2 0.900 110.0 51.7 -65.7 -37.4 23.3 29.8 46.7 181 633 A K H X S+ 0 0 130 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.914 110.6 47.8 -63.2 -45.3 23.4 33.1 44.8 182 634 A Q H X S+ 0 0 89 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 114.3 47.9 -59.9 -45.2 25.0 34.9 47.9 183 635 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.873 108.5 52.7 -62.9 -44.4 27.5 32.0 48.2 184 636 A E H X S+ 0 0 43 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.898 110.4 47.7 -63.2 -41.9 28.5 32.0 44.5 185 637 A E H X S+ 0 0 125 -4,-2.0 4,-1.7 1,-0.2 6,-0.3 0.927 111.2 51.6 -63.2 -41.4 29.2 35.8 44.6 186 638 A M H X>S+ 0 0 18 -4,-2.2 5,-2.3 1,-0.2 6,-1.1 0.891 110.8 49.4 -59.7 -42.3 31.3 35.4 47.8 187 639 A Y H ><5S+ 0 0 98 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.947 113.5 43.3 -58.4 -54.3 33.3 32.6 46.1 188 640 A Q H 3<5S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.645 114.5 48.4 -74.6 -20.9 34.1 34.5 42.9 189 641 A T H 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.485 111.3-120.1 -94.8 -5.9 34.9 37.8 44.6 190 642 A G T <<5S+ 0 0 66 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.654 79.9 120.3 76.9 21.6 37.2 36.0 47.0 191 643 A S < + 0 0 60 -5,-2.3 2,-0.2 -6,-0.3 -4,-0.2 0.428 25.9 117.9-104.4 -1.4 35.1 37.2 49.9 192 644 A L - 0 0 42 -6,-1.1 2,-0.4 -9,-0.1 3,-0.0 -0.512 40.0-174.8 -71.5 136.7 33.8 34.0 51.6 193 645 A N > - 0 0 70 -2,-0.2 3,-1.8 3,-0.1 7,-0.3 -0.953 19.5-164.0-138.9 106.5 35.2 33.9 55.1 194 646 A L T 3 S+ 0 0 40 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.624 91.5 63.9 -76.1 -6.2 34.5 30.7 57.1 195 647 A H T 3 S+ 0 0 172 4,-0.0 2,-0.6 -3,-0.0 -1,-0.3 0.414 83.9 89.0 -86.0 -1.2 35.4 32.6 60.3 196 648 A N S <> S- 0 0 57 -3,-1.8 4,-2.4 1,-0.1 3,-0.4 -0.886 76.1-144.8 -99.2 117.3 32.5 35.0 59.7 197 649 A Q H > S+ 0 0 104 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.882 97.3 51.6 -52.7 -45.8 29.4 33.5 61.5 198 650 A S H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.861 112.9 45.4 -60.9 -35.5 26.9 34.7 58.8 199 651 A H H > S+ 0 0 26 -3,-0.4 4,-2.3 -6,-0.3 -2,-0.2 0.912 111.7 53.1 -69.4 -42.2 29.0 33.1 55.9 200 652 A R H X S+ 0 0 30 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.858 106.3 52.3 -59.9 -43.4 29.4 30.0 58.0 201 653 A D H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.863 108.7 52.0 -60.2 -41.8 25.6 29.8 58.4 202 654 A R H X S+ 0 0 76 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.924 109.3 48.0 -57.9 -52.4 25.2 30.1 54.6 203 655 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 113.1 48.2 -57.4 -50.4 27.7 27.2 53.9 204 656 A I H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.899 109.3 54.3 -54.2 -43.8 25.9 25.0 56.5 205 657 A G H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.934 110.4 46.2 -56.3 -44.7 22.6 25.9 54.8 206 658 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.847 108.4 54.5 -69.7 -37.9 24.0 24.8 51.5 207 659 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.893 107.4 52.8 -56.6 -43.3 25.4 21.6 53.0 208 660 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.895 109.7 46.8 -61.2 -44.6 21.8 20.9 54.3 209 661 A T H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.950 111.9 51.9 -57.9 -51.6 20.4 21.4 50.7 210 662 A A H < S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.901 114.3 42.2 -50.7 -48.5 23.2 19.1 49.4 211 663 A C H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.909 113.9 51.6 -64.6 -44.9 22.3 16.4 51.9 212 664 A D H 3< S+ 0 0 22 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.830 115.5 42.5 -61.4 -33.7 18.5 16.8 51.5 213 665 A L T >< S+ 0 0 24 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.395 78.3 118.5 -91.6 2.4 18.9 16.5 47.7 214 666 A C G X + 0 0 3 -3,-1.1 3,-2.1 1,-0.3 4,-0.3 0.488 48.2 86.2 -64.0 -6.1 21.4 13.6 47.8 215 667 A S G > S+ 0 0 14 -3,-0.3 3,-1.0 1,-0.3 -1,-0.3 0.855 89.0 56.5 -54.9 -29.8 19.1 11.1 45.9 216 668 A V G < S+ 0 0 6 -3,-2.1 80,-0.3 1,-0.2 -1,-0.3 0.407 101.1 57.3 -83.9 0.4 20.6 12.7 42.8 217 669 A T G < S+ 0 0 1 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.252 88.7 93.4-112.7 3.7 24.2 11.8 44.0 218 670 A K S < S- 0 0 8 -3,-1.0 2,-0.2 -4,-0.3 78,-0.1 -0.299 93.5 -78.2 -86.3 173.9 23.6 8.1 44.3 219 671 A L >> - 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