==== 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 3HQW . COMPND 2 MOLECULE: CAMP AND CAMP-INHIBITED CGMP 3',5'-CYCLIC . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.PANDIT,E.S.MARR . 303 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 76.2 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 . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 3 1 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 1 455 A P > 0 0 104 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 148.6 28.7 -5.5 59.8 2 456 A A H > + 0 0 85 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.831 360.0 54.1 -56.6 -40.6 32.0 -5.3 58.0 3 457 A R H > S+ 0 0 130 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.895 112.1 45.6 -63.6 -39.4 30.5 -4.4 54.6 4 458 A I H > S+ 0 0 18 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.901 107.7 56.2 -70.5 -42.4 28.7 -1.5 56.3 5 459 A C H < S+ 0 0 61 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.891 116.7 38.6 -55.0 -38.0 31.8 -0.4 58.2 6 460 A R H >< S+ 0 0 166 -4,-1.9 3,-1.0 -5,-0.2 -2,-0.2 0.960 121.4 39.5 -74.2 -55.4 33.5 -0.1 54.8 7 461 A D H >< S+ 0 0 29 -4,-2.8 3,-1.7 1,-0.3 6,-0.2 0.658 95.8 76.9 -81.9 -15.5 30.8 1.3 52.6 8 462 A I T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 5,-0.1 0.744 88.8 63.6 -62.6 -23.6 29.3 3.8 55.1 9 463 A E T < S+ 0 0 54 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.634 84.4 94.3 -74.7 -14.0 32.3 6.0 54.3 10 464 A L S X S- 0 0 69 -3,-1.7 3,-1.6 1,-0.1 65,-0.1 -0.615 77.3-136.2 -78.6 136.1 31.1 6.3 50.7 11 465 A F T 3 S+ 0 0 15 -2,-0.3 -1,-0.1 1,-0.3 64,-0.1 0.861 105.4 54.2 -55.6 -34.9 29.0 9.3 49.8 12 466 A H T 3 S+ 0 0 68 204,-0.1 205,-0.4 2,-0.1 -1,-0.3 0.228 77.2 139.8 -92.6 16.7 26.7 7.1 47.8 13 467 A F < - 0 0 7 -3,-1.6 2,-0.4 -6,-0.2 -5,-0.1 -0.293 41.1-150.9 -51.6 138.5 26.0 4.6 50.6 14 468 A D - 0 0 63 1,-0.0 -2,-0.1 57,-0.0 -7,-0.0 -0.959 10.5-139.4-112.6 136.3 22.4 3.4 50.8 15 469 A I - 0 0 10 -2,-0.4 3,-0.3 1,-0.2 6,-0.1 0.471 41.0-131.3 -83.4 -3.6 21.3 2.4 54.4 16 470 A G - 0 0 11 1,-0.2 -1,-0.2 5,-0.0 6,-0.0 0.039 23.1 -74.6 83.5 174.3 19.3 -0.6 53.3 17 471 A P S S+ 0 0 97 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.418 93.9 100.9 -92.8 0.6 15.8 -2.0 54.0 18 472 A F >> - 0 0 134 -3,-0.3 3,-1.9 1,-0.2 4,-0.5 -0.742 51.3-170.4 -90.7 97.3 16.3 -3.2 57.6 19 473 A E G >4 S+ 0 0 72 -2,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.841 80.4 61.3 -57.7 -39.7 14.7 -0.5 59.7 20 474 A N G 34 S+ 0 0 139 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.571 99.7 57.5 -70.3 -6.2 16.0 -1.8 63.0 21 475 A M G <> S+ 0 0 66 -3,-1.9 4,-1.7 2,-0.1 -1,-0.3 0.640 88.4 76.2 -89.9 -16.9 19.6 -1.4 61.8 22 476 A W H S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.937 111.0 46.6 -55.1 -45.6 19.4 3.5 64.8 24 478 A G H > S+ 0 0 46 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.836 109.2 54.6 -65.6 -33.8 22.7 1.7 65.2 25 479 A I H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.909 110.6 46.7 -63.4 -42.5 24.0 3.2 62.0 26 480 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.921 111.4 50.2 -67.0 -44.1 23.2 6.6 63.3 27 481 A V H X S+ 0 0 20 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.926 109.3 52.5 -60.7 -42.4 24.8 5.9 66.7 28 482 A Y H X S+ 0 0 77 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.929 111.2 46.4 -56.9 -46.8 27.9 4.7 64.9 29 483 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.897 112.6 49.9 -65.2 -42.0 28.1 7.9 62.9 30 484 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.4 0.914 112.3 47.6 -60.0 -45.9 27.6 10.0 66.0 31 485 A H H X S+ 0 0 44 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.850 113.6 47.3 -68.1 -36.0 30.3 8.1 67.9 32 486 A R H < S+ 0 0 123 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.849 121.8 35.8 -71.0 -36.3 32.8 8.4 65.0 33 487 A S H < S+ 0 0 7 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.847 135.7 18.8 -85.4 -37.0 32.1 12.1 64.5 34 488 A C H < S- 0 0 10 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.491 107.4-106.6-116.9 -9.6 31.6 13.3 68.1 35 489 A G >< - 0 0 27 -4,-1.4 3,-0.5 -5,-0.4 -1,-0.2 -0.017 23.8 -98.1 93.3 158.1 33.1 10.6 70.3 36 490 A T G > S+ 0 0 101 1,-0.2 3,-0.7 2,-0.1 5,-0.1 0.800 114.9 58.2 -80.4 -30.6 31.6 7.9 72.5 37 491 A S G 3 S+ 0 0 115 1,-0.2 -1,-0.2 -6,-0.1 3,-0.1 -0.038 90.2 74.2 -95.3 31.7 31.8 9.8 75.8 38 492 A C G < S+ 0 0 32 -3,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.514 96.2 40.4-125.5 -15.5 29.8 12.8 74.7 39 493 A F S < S- 0 0 10 -3,-0.7 2,-0.4 -4,-0.2 -1,-0.3 -0.992 85.8-119.6-125.7 135.2 26.3 11.4 74.7 40 494 A E > - 0 0 101 -2,-0.4 4,-2.3 106,-0.2 3,-0.2 -0.627 29.9-138.1 -64.1 122.4 25.0 9.0 77.4 41 495 A L H > S+ 0 0 94 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.852 95.9 49.6 -61.9 -44.0 24.2 6.0 75.3 42 496 A E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 113.8 47.4 -63.4 -39.4 20.8 5.0 76.9 43 497 A K H > S+ 0 0 28 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.888 111.3 50.1 -68.8 -42.5 19.5 8.5 76.6 44 498 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.914 111.4 49.7 -60.7 -42.6 20.7 8.8 73.0 45 499 A C H X S+ 0 0 47 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.904 110.4 49.3 -66.0 -41.0 18.9 5.6 72.2 46 500 A R H X S+ 0 0 88 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.895 112.0 49.6 -62.7 -43.4 15.7 6.7 73.9 47 501 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.945 110.0 50.0 -60.7 -50.1 15.9 10.0 71.9 48 502 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.898 110.2 50.5 -57.4 -44.3 16.4 8.2 68.6 49 503 A M H X S+ 0 0 90 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.854 110.7 48.5 -67.6 -33.2 13.5 5.9 69.2 50 504 A S H X S+ 0 0 12 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.858 110.4 51.9 -72.7 -34.4 11.1 8.8 70.0 51 505 A V H >< S+ 0 0 0 -4,-2.3 3,-0.8 2,-0.2 4,-0.4 0.962 109.5 50.0 -63.1 -48.8 12.3 10.6 66.9 52 506 A K H >< S+ 0 0 66 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.893 107.7 54.3 -53.1 -46.6 11.5 7.5 64.8 53 507 A K H 3< S+ 0 0 157 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.778 104.7 54.6 -61.0 -29.9 8.1 7.3 66.4 54 508 A N T << S+ 0 0 52 -4,-1.2 48,-1.1 -3,-0.8 2,-0.3 0.419 89.9 90.0 -90.0 -3.8 7.3 10.9 65.4 55 509 A Y S < S- 0 0 16 -3,-1.4 2,-0.2 -4,-0.4 7,-0.1 -0.712 76.1-130.0 -83.0 150.9 8.1 10.3 61.7 56 510 A R - 0 0 88 5,-0.4 2,-1.8 47,-0.4 7,-0.3 -0.584 18.5-105.4-104.9 163.1 5.1 9.2 59.6 57 511 A R + 0 0 206 -2,-0.2 5,-0.1 5,-0.1 47,-0.0 -0.498 67.8 141.2 -88.0 68.1 4.5 6.3 57.2 58 512 A V - 0 0 22 -2,-1.8 47,-0.1 45,-0.1 4,-0.1 -0.638 63.2-107.3-104.5 162.6 4.7 8.5 54.1 59 513 A P S S- 0 0 57 0, 0.0 169,-0.1 0, 0.0 3,-0.1 0.840 100.7 -3.8 -62.4 -37.3 6.3 7.5 50.8 60 514 A Y S S+ 0 0 27 167,-0.2 2,-2.1 168,-0.1 5,-0.3 0.747 118.4 64.3-125.4 -51.0 9.4 9.8 50.9 61 515 A H S S+ 0 0 31 4,-0.1 -5,-0.4 167,-0.1 42,-0.2 -0.364 84.9 118.0 -84.4 61.9 9.8 12.2 53.9 62 516 A N S > S- 0 0 35 -2,-2.1 4,-1.9 -7,-0.1 3,-0.3 -0.385 85.0 -76.3-119.7-174.8 10.0 9.3 56.4 63 517 A W H > S+ 0 0 12 -7,-0.3 4,-2.0 1,-0.2 5,-0.2 0.866 126.8 56.3 -58.3 -39.0 12.4 7.9 58.9 64 518 A K H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 106.7 50.2 -60.5 -40.8 14.6 6.3 56.2 65 519 A H H > S+ 0 0 10 -5,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.903 107.4 54.9 -62.9 -42.0 15.0 9.8 54.6 66 520 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.926 111.8 41.9 -58.2 -47.2 16.0 11.2 58.0 67 521 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.849 113.5 54.1 -72.3 -32.8 18.8 8.7 58.5 68 522 A T H X S+ 0 0 26 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.916 109.2 47.0 -65.1 -43.9 19.9 9.0 54.8 69 523 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.931 111.4 52.5 -65.6 -43.5 20.2 12.8 55.1 70 524 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.895 106.6 53.7 -57.5 -41.1 22.2 12.3 58.4 71 525 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.911 104.9 52.8 -62.5 -41.1 24.5 9.9 56.6 72 526 A C H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.929 110.2 49.1 -59.8 -41.2 25.3 12.4 53.9 73 527 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.917 108.6 53.5 -63.9 -43.9 26.2 14.9 56.6 74 528 A Y H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.918 109.4 48.4 -53.1 -47.4 28.4 12.3 58.3 75 529 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.916 112.0 48.7 -63.9 -42.3 30.2 11.8 55.0 76 530 A I H < S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.957 115.4 44.6 -60.3 -48.0 30.7 15.5 54.5 77 531 A L H >< S+ 0 0 5 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.912 110.6 53.4 -66.1 -40.8 32.0 15.9 58.0 78 532 A Q H 3< S+ 0 0 52 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.800 112.0 46.1 -63.4 -31.2 34.3 12.9 57.9 79 533 A N T 3< S+ 0 0 69 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.346 110.5 53.3 -96.6 4.2 35.9 14.2 54.7 80 534 A N S X> S- 0 0 14 -3,-1.3 3,-1.5 -4,-0.3 4,-0.5 -0.437 78.8-179.9-131.9 56.3 36.4 17.8 56.1 81 535 A N T 34 + 0 0 150 -3,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.256 63.5 20.5 -61.0 140.5 38.2 17.1 59.3 82 536 A G T 34 S+ 0 0 74 2,-0.3 -1,-0.2 -5,-0.1 3,-0.0 0.350 99.4 91.7 87.7 -4.4 39.1 20.1 61.5 83 537 A L T <4 S+ 0 0 67 -3,-1.5 2,-0.3 -6,-0.2 -2,-0.1 0.915 79.5 48.8 -88.2 -47.8 36.6 22.5 60.0 84 538 A F S < S- 0 0 15 -4,-0.5 -2,-0.3 -7,-0.1 -1,-0.1 -0.730 83.5-118.2-101.0 143.2 33.5 22.2 62.2 85 539 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.240 30.7-104.4 -73.1 166.2 33.6 22.2 66.0 86 540 A D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 123.5 48.9 -57.1 -42.0 32.4 19.3 68.2 87 541 A L H > S+ 0 0 19 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.889 109.9 51.0 -66.8 -43.1 29.2 21.1 69.0 88 542 A E H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.924 110.6 49.0 -58.8 -44.6 28.5 21.9 65.3 89 543 A R H X S+ 0 0 44 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.925 114.5 44.2 -65.1 -46.0 29.1 18.3 64.3 90 544 A K H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.949 116.3 48.6 -58.0 -50.6 26.7 17.0 67.1 91 545 A G H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.893 111.7 47.8 -58.4 -44.7 24.2 19.7 66.2 92 546 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.904 111.5 48.8 -68.2 -41.5 24.2 19.0 62.5 93 547 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.933 115.5 44.8 -66.5 -41.3 23.9 15.3 62.8 94 548 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.910 111.3 53.4 -64.5 -44.1 20.9 15.7 65.2 95 549 A A H X S+ 0 0 0 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.915 108.7 50.1 -56.2 -43.7 19.4 18.4 63.0 96 550 A C H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.922 110.6 49.4 -63.6 -42.5 19.6 16.0 60.0 97 551 A L H 3< S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.886 122.0 33.9 -61.7 -36.3 17.9 13.2 61.9 98 552 A C H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.469 86.2 102.9 -97.6 -4.3 15.1 15.6 63.1 99 553 A H T << S+ 0 0 0 -4,-1.1 32,-0.2 -3,-0.5 -1,-0.2 0.606 89.6 35.0 -69.7 -16.4 14.7 17.9 60.1 100 554 A D T > S+ 0 0 5 -3,-0.3 3,-2.0 -4,-0.3 -1,-0.3 0.015 80.4 157.9-121.8 22.7 11.5 16.3 58.7 101 555 A L T < S+ 0 0 0 -3,-1.9 -46,-0.2 1,-0.3 33,-0.2 -0.260 73.3 4.1 -51.0 126.2 9.8 15.3 62.0 102 556 A D T 3 S+ 0 0 22 -48,-1.1 -1,-0.3 1,-0.2 2,-0.2 0.688 85.9 168.8 69.6 23.5 6.1 14.9 61.6 103 557 A H < - 0 0 15 -3,-2.0 -47,-0.4 -42,-0.2 -1,-0.2 -0.456 22.4-163.0 -66.4 132.3 6.1 15.5 57.8 104 558 A R - 0 0 111 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.435 48.2 -99.6 -97.7 -2.1 2.8 14.6 56.2 105 559 A G S S+ 0 0 7 1,-0.3 2,-0.4 -44,-0.1 130,-0.2 0.628 89.6 111.0 90.7 16.7 4.0 14.4 52.6 106 560 A F - 0 0 56 128,-0.1 -1,-0.3 129,-0.1 -2,-0.3 -0.954 63.1-121.2-126.2 146.2 2.7 17.9 51.7 107 561 A S > - 0 0 36 -2,-0.4 4,-2.0 -3,-0.1 5,-0.1 -0.199 28.8-108.6 -72.3 165.5 4.5 21.1 50.9 108 562 A N H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.853 120.3 59.3 -59.3 -35.9 4.3 24.5 52.6 109 563 A S H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 105.0 47.6 -62.4 -45.2 2.4 25.7 49.6 110 564 A Y H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 109.8 52.9 -62.4 -44.5 -0.3 23.1 50.1 111 565 A L H X>S+ 0 0 8 -4,-2.0 5,-2.5 1,-0.2 4,-1.0 0.917 111.3 48.1 -56.7 -41.1 -0.6 23.9 53.9 112 566 A Q H ><5S+ 0 0 124 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.932 113.1 45.4 -64.8 -45.9 -1.1 27.5 52.9 113 567 A K H 3<5S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.839 113.0 51.2 -68.9 -33.0 -3.7 26.8 50.3 114 568 A F H 3<5S- 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.715 107.7-128.4 -69.8 -23.8 -5.5 24.4 52.6 115 569 A D T <<5 - 0 0 133 -4,-1.0 -3,-0.2 -3,-0.5 -2,-0.1 0.844 39.8-175.4 69.0 37.8 -5.5 27.1 55.3 116 570 A H >>< - 0 0 43 -5,-2.5 3,-1.3 -6,-0.2 4,-0.7 -0.351 35.4-118.2 -63.7 143.2 -4.0 24.5 57.7 117 571 A P H >> S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.793 112.2 64.4 -53.9 -30.8 -3.5 25.7 61.3 118 572 A L H 3> S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 -6,-0.1 0.851 97.1 57.0 -61.1 -33.9 0.3 25.3 61.0 119 573 A A H <4 S+ 0 0 17 -3,-1.3 -1,-0.2 1,-0.2 -7,-0.1 0.727 105.9 49.4 -71.3 -23.3 0.3 28.0 58.4 120 574 A A H << S+ 0 0 88 -3,-0.7 3,-0.3 -4,-0.7 -1,-0.2 0.853 115.0 44.5 -77.5 -37.7 -1.3 30.5 60.8 121 575 A L H < S+ 0 0 115 -4,-1.8 2,-0.5 1,-0.3 -2,-0.2 0.903 129.9 23.1 -70.8 -42.1 1.2 29.6 63.5 122 576 A Y < - 0 0 38 -4,-2.8 -1,-0.3 -5,-0.2 4,-0.1 -0.892 66.4-178.5-131.5 95.3 4.2 29.7 61.2 123 577 A S S S+ 0 0 97 -2,-0.5 2,-0.3 -3,-0.3 3,-0.3 0.842 72.2 40.2 -70.5 -32.0 3.6 31.9 58.0 124 578 A T S S+ 0 0 91 1,-0.2 5,-0.2 2,-0.1 -1,-0.0 -0.907 126.3 6.0-119.3 148.3 7.0 31.2 56.5 125 579 A S S > S+ 0 0 16 -2,-0.3 4,-2.6 3,-0.1 5,-0.3 0.921 82.6 177.0 47.5 49.9 9.0 28.0 56.4 126 580 A T H > + 0 0 5 -3,-0.3 4,-2.0 1,-0.2 5,-0.1 0.902 68.1 38.1 -55.1 -57.0 5.9 26.5 57.9 127 581 A M H > S+ 0 0 4 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.869 115.4 55.3 -66.3 -34.2 6.8 22.8 58.2 128 582 A E H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 106.4 48.8 -71.6 -41.4 10.4 23.6 59.1 129 583 A Q H X S+ 0 0 68 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.911 114.2 49.3 -59.1 -40.0 9.4 25.7 62.1 130 584 A H H X S+ 0 0 19 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.932 107.0 53.5 -63.4 -45.7 7.1 22.8 63.0 131 585 A H H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.913 111.7 46.3 -56.5 -44.6 9.9 20.2 62.6 132 586 A F H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.918 109.7 53.2 -65.3 -41.9 12.1 22.3 65.0 133 587 A S H X S+ 0 0 41 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 110.2 48.7 -57.8 -42.0 9.2 22.7 67.5 134 588 A Q H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.849 108.1 54.0 -66.4 -37.1 8.8 18.9 67.5 135 589 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.945 110.4 46.2 -61.8 -48.4 12.6 18.4 68.0 136 590 A V H X S+ 0 0 30 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.916 110.0 54.4 -62.1 -42.8 12.5 20.7 71.1 137 591 A S H < S+ 0 0 58 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.897 109.8 46.7 -59.3 -41.0 9.4 18.9 72.4 138 592 A I H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.908 108.9 54.7 -67.7 -41.7 11.1 15.5 72.2 139 593 A L H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.769 105.5 55.2 -60.9 -25.2 14.3 16.9 73.9 140 594 A Q T 3< S+ 0 0 139 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.519 82.4 107.6 -90.5 -7.9 12.0 18.0 76.8 141 595 A L S X S- 0 0 86 -3,-1.3 3,-2.2 -4,-0.4 4,-0.3 -0.385 89.7 -84.1 -63.4 145.7 10.6 14.6 77.4 142 596 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.302 114.5 5.9 -54.5 130.6 11.8 12.9 80.6 143 597 A G T 3 S+ 0 0 27 -3,-0.1 -1,-0.3 1,-0.1 -96,-0.2 0.575 106.9 97.4 71.7 12.3 15.1 11.1 80.0 144 598 A H < + 0 0 17 -3,-2.2 2,-1.9 -5,-0.2 -2,-0.1 0.381 41.7 112.8-111.1 1.4 15.4 12.4 76.4 145 599 A N > + 0 0 43 -4,-0.3 3,-1.8 1,-0.2 4,-0.1 -0.543 36.2 175.3 -81.3 86.0 17.7 15.4 76.9 146 600 A I T 3 S+ 0 0 5 -2,-1.9 3,-0.3 1,-0.3 -106,-0.2 0.622 79.1 55.2 -63.8 -15.6 20.8 14.2 75.1 147 601 A F T > S+ 0 0 3 1,-0.2 3,-1.6 -8,-0.1 -1,-0.3 0.119 70.5 116.7-100.5 20.0 22.4 17.6 75.7 148 602 A S T < S+ 0 0 60 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.743 71.5 56.0 -66.6 -24.0 22.0 17.4 79.5 149 603 A T T 3 S+ 0 0 110 -3,-0.3 -1,-0.3 -111,-0.2 2,-0.1 0.541 89.9 94.6 -84.0 -10.5 25.7 17.4 80.2 150 604 A L S < S- 0 0 30 -3,-1.6 -3,-0.0 1,-0.1 2,-0.0 -0.487 85.9-104.8 -72.6 153.6 26.2 20.7 78.2 151 605 A S > - 0 0 58 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.286 36.0-103.6 -64.3 163.4 26.2 24.0 80.0 152 606 A S H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 124.5 50.6 -56.8 -40.4 23.1 26.1 79.7 153 607 A S H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.2 46.3 -66.1 -44.5 25.0 28.4 77.2 154 608 A E H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.838 110.8 54.4 -65.6 -36.7 26.2 25.4 75.1 155 609 A Y H X S+ 0 0 55 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.943 110.8 44.7 -59.9 -49.3 22.6 24.0 75.2 156 610 A E H X S+ 0 0 129 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.897 113.6 52.8 -60.8 -39.8 21.3 27.3 73.8 157 611 A Q H X S+ 0 0 103 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.939 110.6 43.9 -64.4 -47.9 24.1 27.3 71.3 158 612 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.856 110.6 55.2 -70.3 -33.2 23.5 23.8 69.9 159 613 A L H X S+ 0 0 17 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.856 108.9 49.0 -66.2 -32.7 19.7 24.4 69.7 160 614 A E H X S+ 0 0 77 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.873 109.2 51.4 -72.2 -37.3 20.3 27.5 67.6 161 615 A I H X S+ 0 0 20 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.944 114.5 45.4 -58.1 -45.9 22.7 25.5 65.3 162 616 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.907 111.5 50.8 -66.6 -44.3 19.8 22.9 65.0 163 617 A R H X S+ 0 0 84 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.949 113.4 45.0 -59.8 -50.5 17.1 25.6 64.5 164 618 A K H X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.906 114.4 49.4 -60.9 -42.3 19.1 27.3 61.7 165 619 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.905 112.6 46.4 -65.1 -43.3 20.0 24.0 60.1 166 620 A I H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.941 112.5 49.8 -66.5 -45.9 16.4 22.7 60.1 167 621 A I H >< S+ 0 0 27 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.900 101.8 64.4 -58.0 -38.0 15.0 26.0 58.7 168 622 A A H 3< S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.683 85.5 72.8 -61.7 -22.0 17.7 25.8 56.0 169 623 A T T << + 0 0 8 -3,-1.3 2,-1.0 -4,-0.6 -1,-0.3 0.459 67.0 105.3 -72.6 -2.9 16.0 22.6 54.6 170 624 A D X> - 0 0 20 -3,-2.1 3,-1.9 1,-0.2 4,-0.5 -0.741 69.1-152.1 -70.5 104.7 13.2 24.8 53.3 171 625 A L H >> S+ 0 0 56 -2,-1.0 3,-0.9 1,-0.3 4,-0.7 0.759 88.0 73.6 -58.8 -23.2 14.3 24.7 49.6 172 626 A A H 3> S+ 0 0 71 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.855 97.3 50.1 -54.8 -34.5 12.7 28.1 49.0 173 627 A L H <> S+ 0 0 79 -3,-1.9 4,-1.9 -6,-0.2 -1,-0.2 0.697 93.6 75.9 -76.6 -22.1 15.7 29.6 51.0 174 628 A Y H S+ 0 0 21 -4,-2.1 5,-1.9 1,-0.2 6,-1.2 0.868 111.9 47.6 -64.2 -36.5 31.4 35.4 48.1 185 639 A Y H ><5S+ 0 0 108 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.932 111.4 49.6 -67.2 -46.6 33.4 32.8 46.3 186 640 A Q H 3<5S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.837 116.8 41.1 -62.7 -35.9 33.8 34.9 43.1 187 641 A T T 3<5S- 0 0 89 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.426 107.4-121.6 -95.5 0.2 35.0 37.9 45.1 188 642 A G T < 5S+ 0 0 66 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.724 78.4 121.0 66.8 23.5 37.2 35.9 47.5 189 643 A S < + 0 0 59 -5,-1.9 -4,-0.2 -6,-0.3 2,-0.2 0.486 26.3 122.2-100.1 -4.2 35.2 37.3 50.4 190 644 A L - 0 0 44 -6,-1.2 2,-0.5 -9,-0.1 -9,-0.0 -0.415 38.9-174.2 -62.3 128.0 34.0 34.1 52.0 191 645 A N > - 0 0 69 -2,-0.2 3,-2.0 3,-0.1 7,-0.3 -0.914 18.1-165.7-128.6 103.1 35.2 34.0 55.6 192 646 A L T 3 S+ 0 0 47 -2,-0.5 -1,-0.1 1,-0.3 6,-0.1 0.685 91.5 61.6 -65.3 -14.5 34.4 30.8 57.5 193 647 A H T 3 S+ 0 0 174 4,-0.1 2,-0.6 5,-0.0 -1,-0.3 0.569 84.7 89.6 -84.0 -10.1 35.3 32.6 60.8 194 648 A N S <> S- 0 0 56 -3,-2.0 4,-2.8 1,-0.1 5,-0.2 -0.809 74.9-147.2 -88.7 117.9 32.4 35.0 60.1 195 649 A Q H > S+ 0 0 101 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.839 96.3 53.0 -59.4 -38.8 29.4 33.5 61.8 196 650 A S H > S+ 0 0 69 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 114.3 43.1 -61.3 -44.3 26.9 34.9 59.2 197 651 A H H > S+ 0 0 26 -6,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 113.0 52.7 -62.5 -46.3 29.0 33.3 56.4 198 652 A R H X S+ 0 0 31 -4,-2.8 4,-2.3 -7,-0.3 -2,-0.2 0.870 106.5 52.9 -59.9 -40.6 29.5 30.1 58.4 199 653 A D H X S+ 0 0 45 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.879 108.3 51.3 -64.0 -39.0 25.7 29.8 58.9 200 654 A R H X S+ 0 0 87 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.897 108.7 50.0 -64.8 -42.2 25.2 30.1 55.1 201 655 A V H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 111.0 49.6 -62.1 -43.6 27.8 27.4 54.4 202 656 A I H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.898 108.6 53.7 -60.8 -41.2 25.9 25.1 56.9 203 657 A G H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.905 108.3 48.3 -60.3 -43.9 22.7 25.9 55.2 204 658 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.881 109.2 54.3 -63.1 -38.1 24.1 24.8 51.8 205 659 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 107.3 50.9 -60.7 -42.9 25.4 21.7 53.5 206 660 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 110.9 47.8 -62.9 -43.4 21.8 21.0 54.7 207 661 A T H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.933 111.0 51.6 -56.6 -49.0 20.5 21.5 51.2 208 662 A A H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 114.1 43.4 -58.5 -42.4 23.1 19.2 49.8 209 663 A C H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.903 112.2 52.3 -69.5 -42.8 22.3 16.5 52.3 210 664 A D H 3< S+ 0 0 23 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.833 114.9 42.0 -63.6 -33.8 18.5 16.9 51.9 211 665 A L T >< S+ 0 0 25 -4,-2.2 3,-2.1 1,-0.2 -1,-0.3 0.309 78.9 120.4 -92.1 6.3 18.8 16.5 48.1 212 666 A C G X + 0 0 3 -3,-1.2 3,-2.3 1,-0.3 4,-0.2 0.548 47.0 86.1 -64.4 -8.1 21.3 13.7 48.2 213 667 A S G > S+ 0 0 15 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.850 87.6 58.2 -52.8 -31.2 19.1 11.1 46.4 214 668 A V G < S+ 0 0 6 -3,-2.1 80,-0.3 1,-0.2 -1,-0.3 0.411 99.9 57.6 -83.1 4.6 20.6 12.7 43.2 215 669 A T G < S+ 0 0 1 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.205 88.8 93.5-113.9 8.3 24.1 11.8 44.4 216 670 A K S < S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.2 78,-0.1 -0.324 92.9 -77.2 -87.5 176.0 23.5 8.1 44.7 217 671 A L >> - 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