==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-FEB-12 4AJF . COMPND 2 MOLECULE: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.JOHANSSON,J.S.ALBERT,L.SPADOLA,T.AKERUD,E.BACK,P.HILLERTZ, . 651 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 73.3 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 . 19 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 1 4 2 0 1 1 1 5 0 6 2 0 4 4 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 1 447 A N 0 0 150 0, 0.0 2,-0.5 0, 0.0 155,-0.1 0.000 360.0 360.0 360.0 -5.7 -3.5 2.4 -29.6 2 448 A A - 0 0 15 153,-0.2 67,-0.1 154,-0.0 70,-0.0 -0.891 360.0-127.8-105.7 128.7 -1.8 1.0 -26.5 3 449 A S - 0 0 60 -2,-0.5 2,-0.4 65,-0.2 69,-0.2 -0.312 23.8-137.0 -65.6 154.5 -3.4 -1.9 -24.5 4 450 A I - 0 0 93 67,-0.1 61,-0.1 -2,-0.0 64,-0.1 -0.974 9.9-123.3-124.8 134.2 -3.9 -1.3 -20.8 5 451 A C - 0 0 12 -2,-0.4 2,-0.2 59,-0.3 63,-0.1 -0.163 31.9-106.8 -65.2 164.2 -3.3 -3.7 -17.9 6 452 A T > - 0 0 51 1,-0.1 4,-1.9 61,-0.1 5,-0.2 -0.538 24.7-114.4 -88.7 163.0 -6.0 -4.8 -15.4 7 453 A S H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.892 119.8 56.7 -62.0 -36.4 -6.1 -3.4 -11.8 8 454 A E H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 105.5 51.3 -59.4 -42.8 -5.5 -7.1 -10.7 9 455 A E H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.966 116.8 36.6 -61.9 -57.8 -2.2 -7.2 -12.8 10 456 A W H X S+ 0 0 40 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.898 116.8 52.6 -66.4 -39.8 -0.7 -4.0 -11.4 11 457 A Q H X S+ 0 0 96 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.913 109.6 49.6 -59.3 -45.1 -2.0 -4.6 -7.8 12 458 A G H >X S+ 0 0 45 -4,-2.2 4,-1.1 1,-0.2 3,-0.6 0.892 108.6 52.9 -59.6 -42.4 -0.4 -8.1 -7.8 13 459 A L H 3< S+ 0 0 15 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.856 100.8 61.3 -63.4 -35.7 2.9 -6.7 -9.0 14 460 A M H 3< S+ 0 0 56 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.836 106.7 46.8 -59.0 -33.6 2.9 -4.1 -6.2 15 461 A Q H << S+ 0 0 159 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.713 86.2 114.6 -80.3 -28.8 3.0 -7.0 -3.7 16 462 A F < - 0 0 65 -4,-1.1 2,-0.4 -3,-0.4 -3,-0.0 -0.166 43.6-170.5 -51.3 137.1 5.7 -9.1 -5.4 17 463 A T - 0 0 117 29,-0.0 26,-0.1 0, 0.0 25,-0.1 -1.000 25.3-118.4-132.6 126.6 9.0 -9.5 -3.5 18 464 A L - 0 0 18 -2,-0.4 5,-0.1 24,-0.2 21,-0.0 -0.497 34.7-108.3 -65.8 126.8 12.2 -11.1 -5.1 19 465 A P >> - 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.279 27.6-119.2 -58.6 138.1 13.4 -14.3 -3.5 20 466 A V H >> S+ 0 0 132 1,-0.3 4,-0.7 2,-0.2 3,-0.6 0.792 109.9 54.8 -44.9 -47.2 16.7 -13.8 -1.5 21 467 A R H 3> S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.741 103.1 57.2 -65.0 -26.8 18.8 -16.3 -3.6 22 468 A L H <> S+ 0 0 2 -3,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.778 91.4 71.5 -74.6 -28.0 17.9 -14.5 -6.8 23 469 A C H << S+ 0 0 39 -4,-0.8 4,-0.4 -3,-0.6 -1,-0.2 0.872 103.0 41.6 -55.1 -41.6 19.3 -11.1 -5.5 24 470 A K H >< S+ 0 0 151 -4,-0.7 3,-0.9 -3,-0.2 4,-0.3 0.941 117.2 49.6 -68.1 -48.7 22.9 -12.5 -5.8 25 471 A E H >< S+ 0 0 32 -4,-1.1 3,-1.4 1,-0.2 6,-0.3 0.806 100.4 61.5 -59.1 -46.5 22.1 -14.2 -9.2 26 472 A I T 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.675 94.4 64.4 -60.5 -22.5 20.5 -11.1 -11.0 27 473 A E T < S+ 0 0 46 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.3 0.672 85.7 93.0 -76.6 -17.8 23.7 -9.0 -10.6 28 474 A L S X S- 0 0 64 -3,-1.4 3,-1.4 -4,-0.3 65,-0.1 -0.603 74.5-137.6 -84.3 139.8 25.6 -11.4 -13.0 29 475 A F T 3 S+ 0 0 14 -2,-0.3 -1,-0.1 1,-0.3 64,-0.1 0.877 104.6 55.1 -57.3 -42.2 25.9 -10.8 -16.7 30 476 A H T 3 S+ 0 0 27 204,-0.1 205,-0.4 2,-0.1 -1,-0.3 0.483 77.0 133.6 -73.7 -7.6 25.2 -14.5 -17.4 31 477 A F < - 0 0 8 -3,-1.4 2,-0.5 -6,-0.3 -5,-0.1 -0.217 44.5-152.4 -49.9 127.3 21.9 -14.6 -15.5 32 478 A D - 0 0 18 1,-0.1 -1,-0.1 202,-0.0 -2,-0.1 -0.953 11.2-165.4-107.9 118.5 19.1 -16.3 -17.4 33 479 A I > + 0 0 2 -2,-0.5 3,-2.5 1,-0.2 6,-0.1 0.653 64.0 102.8 -73.0 -23.7 15.5 -15.2 -16.6 34 480 A G G > S+ 0 0 19 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.741 77.2 46.6 -27.3 -56.1 14.1 -18.2 -18.4 35 481 A P G 3 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.334 105.6 61.2 -82.3 11.5 13.1 -20.4 -15.3 36 482 A F G X + 0 0 12 -3,-2.5 3,-1.9 1,-0.1 4,-0.4 -0.190 57.2 147.3-126.7 39.4 11.4 -17.5 -13.4 37 483 A E G X S+ 0 0 97 -3,-0.6 3,-2.1 1,-0.3 -1,-0.1 0.850 72.1 52.7 -44.0 -55.9 8.5 -16.5 -15.7 38 484 A N G 3 S+ 0 0 101 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.725 110.3 52.7 -52.9 -25.4 6.0 -15.5 -12.9 39 485 A M G <> S+ 0 0 13 -3,-1.9 4,-2.7 1,-0.2 -1,-0.3 0.445 78.0 100.2 -91.2 -6.1 8.8 -13.2 -11.6 40 486 A W H <> S+ 0 0 10 -3,-2.1 4,-1.7 -4,-0.4 -1,-0.2 0.903 87.0 40.4 -52.7 -54.7 9.6 -11.3 -14.8 41 487 A P H > S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.940 118.1 51.1 -58.3 -41.1 7.6 -8.0 -14.0 42 488 A G H > S+ 0 0 4 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.825 105.7 54.2 -62.2 -37.3 8.9 -8.3 -10.4 43 489 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.856 107.3 51.5 -65.6 -38.0 12.5 -8.7 -11.6 44 490 A F H X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.2 -2,-0.2 0.946 108.5 50.6 -67.0 -42.9 12.2 -5.4 -13.6 45 491 A V H X S+ 0 0 17 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.925 111.3 50.1 -55.1 -48.1 10.8 -3.5 -10.5 46 492 A Y H X S+ 0 0 38 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.876 110.8 47.6 -59.3 -45.6 13.8 -4.8 -8.5 47 493 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.903 113.0 48.3 -65.8 -40.8 16.3 -3.7 -11.2 48 494 A V H X>S+ 0 0 1 -4,-2.5 4,-3.4 2,-0.2 5,-0.8 0.948 114.6 47.0 -62.1 -49.8 14.7 -0.2 -11.5 49 495 A H H X5S+ 0 0 39 -4,-2.9 4,-1.5 3,-0.2 -2,-0.2 0.905 114.9 44.4 -62.2 -45.2 14.7 0.1 -7.6 50 496 A R H <5S+ 0 0 147 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.862 124.5 34.9 -68.8 -36.3 18.3 -1.1 -7.1 51 497 A S H <5S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.915 136.3 18.7 -83.5 -44.5 19.7 1.1 -10.0 52 498 A C H <5S- 0 0 13 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.607 110.2-107.4-101.5 -22.4 17.4 4.2 -9.8 53 499 A G ><< - 0 0 29 -4,-1.5 3,-1.1 -5,-0.8 4,-0.4 0.022 25.3 -91.0 102.2 151.2 16.1 4.0 -6.2 54 500 A T T 3 S+ 0 0 96 1,-0.2 3,-0.3 -5,-0.2 5,-0.2 0.728 125.2 48.9 -66.5 -27.7 12.6 3.2 -4.7 55 501 A S T 3 S+ 0 0 120 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.304 85.8 89.8 -97.1 6.1 11.5 6.9 -4.7 56 502 A C S < S+ 0 0 23 -3,-1.1 2,-0.3 1,-0.1 -1,-0.2 0.902 99.0 21.9 -67.6 -42.5 12.6 7.5 -8.4 57 503 A F S S- 0 0 8 -4,-0.4 2,-0.4 -3,-0.3 -1,-0.1 -0.930 90.1-103.9-125.6 150.5 9.1 6.4 -9.7 58 504 A E > - 0 0 98 -2,-0.3 4,-2.4 106,-0.2 5,-0.2 -0.622 34.8-134.3 -72.4 122.2 5.6 6.3 -8.0 59 505 A L H > S+ 0 0 52 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.832 100.5 47.7 -47.8 -46.3 5.1 2.5 -7.3 60 506 A E H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 113.5 46.9 -65.1 -44.8 1.5 2.4 -8.7 61 507 A K H > S+ 0 0 26 2,-0.2 4,-2.3 -3,-0.2 103,-0.2 0.841 114.7 48.1 -63.5 -39.6 2.3 4.3 -11.9 62 508 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.924 112.1 48.0 -69.9 -42.6 5.4 2.1 -12.5 63 509 A C H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.885 114.3 46.6 -65.6 -37.4 3.5 -1.2 -11.8 64 510 A R H X S+ 0 0 53 -4,-2.4 4,-2.1 97,-0.2 -59,-0.3 0.903 113.4 50.9 -66.6 -43.1 0.7 0.0 -14.2 65 511 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 96,-0.2 -2,-0.2 0.954 111.5 46.3 -58.8 -52.6 3.5 1.0 -16.7 66 512 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.912 114.4 46.8 -55.6 -50.6 5.2 -2.5 -16.5 67 513 A M H X S+ 0 0 17 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.848 112.4 48.5 -69.0 -31.6 2.0 -4.5 -16.9 68 514 A S H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.877 110.6 52.1 -74.4 -34.8 0.7 -2.4 -19.8 69 515 A V H >< S+ 0 0 0 -4,-2.3 3,-0.5 -5,-0.2 4,-0.3 0.959 109.5 50.7 -62.7 -44.9 4.2 -2.8 -21.5 70 516 A K H >< S+ 0 0 78 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.910 110.7 48.5 -56.1 -44.4 3.8 -6.6 -20.9 71 517 A K H 3< S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.758 105.1 59.7 -68.0 -28.9 0.3 -6.4 -22.6 72 518 A N T << S+ 0 0 8 -4,-1.6 48,-1.9 -3,-0.5 2,-0.4 0.363 87.0 89.2 -84.9 4.6 1.6 -4.5 -25.6 73 519 A Y S < S- 0 0 15 -3,-1.3 7,-0.1 -4,-0.3 46,-0.1 -0.819 77.2-129.3 -96.9 139.2 4.1 -7.3 -26.5 74 520 A R - 0 0 118 5,-0.4 2,-1.6 47,-0.4 7,-0.3 -0.328 21.4-100.8 -88.5 169.6 2.7 -9.9 -28.9 75 521 A R S S+ 0 0 248 5,-0.1 5,-0.1 -2,-0.1 -1,-0.1 -0.612 71.3 139.4 -88.8 72.6 2.6 -13.7 -28.8 76 522 A V - 0 0 25 -2,-1.6 47,-0.1 3,-0.1 173,-0.1 -0.800 64.0-113.0-113.8 157.2 5.5 -14.1 -31.3 77 523 A P S S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 169,-0.1 0.827 100.9 0.3 -66.5 -30.4 8.3 -16.7 -30.9 78 524 A Y S S+ 0 0 23 168,-0.1 2,-2.3 167,-0.1 5,-0.3 0.751 116.6 64.2-123.6 -53.5 11.1 -14.2 -30.2 79 525 A H S S+ 0 0 32 4,-0.1 -5,-0.4 167,-0.1 42,-0.2 -0.434 87.0 117.0 -81.2 63.8 10.4 -10.4 -30.1 80 526 A N S > S- 0 0 32 -2,-2.3 4,-2.1 -7,-0.1 3,-0.3 -0.484 85.8 -75.9-118.7-175.6 8.2 -11.0 -27.1 81 527 A W H > S+ 0 0 21 -7,-0.3 4,-2.3 1,-0.2 5,-0.2 0.875 126.3 55.4 -54.9 -43.2 7.9 -10.1 -23.3 82 528 A K H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 108.1 48.6 -58.1 -45.4 10.7 -12.6 -22.4 83 529 A H H > S+ 0 0 7 -5,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.948 109.5 52.9 -59.7 -48.3 13.1 -10.9 -24.9 84 530 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 112.9 42.9 -54.9 -49.9 12.2 -7.4 -23.5 85 531 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.874 113.3 53.7 -65.1 -38.0 13.0 -8.4 -19.8 86 532 A T H X S+ 0 0 16 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.927 110.8 45.1 -59.6 -51.0 16.2 -10.3 -21.0 87 533 A V H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.911 113.7 50.8 -60.4 -44.5 17.4 -7.1 -22.8 88 534 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.877 108.2 52.1 -62.1 -40.2 16.5 -4.9 -19.7 89 535 A H H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.891 108.6 50.4 -65.4 -40.5 18.4 -7.3 -17.4 90 536 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.904 109.6 50.7 -64.2 -38.5 21.5 -7.0 -19.6 91 537 A M H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.941 109.3 52.7 -58.9 -47.9 21.3 -3.2 -19.4 92 538 A Y H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.892 108.6 48.2 -53.5 -48.9 21.0 -3.4 -15.6 93 539 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.917 113.5 47.2 -64.7 -40.6 24.2 -5.5 -15.3 94 540 A I H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.938 115.1 47.9 -63.6 -44.0 26.1 -3.1 -17.6 95 541 A L H >< S+ 0 0 0 -4,-3.2 3,-1.1 1,-0.2 -2,-0.2 0.935 110.8 49.1 -62.7 -46.1 24.7 -0.2 -15.5 96 542 A Q H >< S+ 0 0 47 -4,-3.3 3,-0.5 1,-0.3 -1,-0.2 0.846 113.3 48.1 -63.3 -35.2 25.6 -1.8 -12.1 97 543 A N H 3< S+ 0 0 69 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.586 127.0 26.3 -79.7 -10.2 29.1 -2.5 -13.4 98 544 A N T X< S+ 0 0 13 -3,-1.1 3,-2.0 -4,-0.7 4,-0.4 -0.016 80.1 146.9-140.5 26.5 29.6 1.1 -14.7 99 545 A H G X + 0 0 66 -3,-0.5 3,-1.2 1,-0.3 -2,-0.1 0.725 67.1 48.4 -39.1 -51.9 27.1 3.0 -12.4 100 546 A T G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.577 96.4 70.4 -76.7 -10.1 28.9 6.4 -12.1 101 547 A L G < S+ 0 0 68 -3,-2.0 2,-0.4 -6,-0.2 -1,-0.3 0.652 98.9 61.8 -75.5 -15.3 29.5 6.8 -15.8 102 548 A F S < S- 0 0 8 -3,-1.2 -1,-0.1 -4,-0.4 2,-0.1 -0.943 80.0-129.6-123.8 140.1 25.8 7.4 -16.1 103 549 A T > - 0 0 73 -2,-0.4 4,-2.5 1,-0.1 5,-0.1 -0.308 33.1-107.0 -75.7 160.3 23.4 10.0 -14.7 104 550 A D H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.837 121.1 53.6 -56.3 -38.1 20.2 9.0 -12.9 105 551 A L H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 109.6 45.7 -65.5 -46.3 18.2 10.3 -16.0 106 552 A E H > S+ 0 0 8 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.907 112.2 53.4 -63.0 -44.0 20.2 8.1 -18.4 107 553 A R H X S+ 0 0 9 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.925 114.1 39.1 -60.7 -48.1 19.9 5.1 -16.1 108 554 A K H X S+ 0 0 26 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.869 117.7 52.1 -67.7 -34.0 16.1 5.3 -15.7 109 555 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.918 111.3 45.2 -65.8 -47.1 15.8 6.2 -19.4 110 556 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.846 111.8 50.2 -69.7 -38.1 17.9 3.2 -20.6 111 557 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.887 115.6 44.6 -67.0 -36.9 16.2 0.6 -18.4 112 558 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.906 112.0 51.9 -72.5 -42.2 12.8 1.9 -19.7 113 559 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.900 109.6 50.8 -60.8 -40.9 14.0 2.0 -23.3 114 560 A C H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -26,-0.2 0.938 109.9 48.7 -65.4 -45.8 15.2 -1.7 -23.0 115 561 A L H 3< S+ 0 0 0 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.837 122.9 33.9 -59.9 -33.5 11.9 -2.9 -21.7 116 562 A C H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 -1,-0.2 0.411 84.0 107.9 -99.5 -6.0 10.0 -1.1 -24.5 117 563 A H T << S+ 0 0 0 -4,-1.1 32,-0.2 -3,-0.7 -1,-0.2 0.581 92.2 28.7 -54.8 -21.2 12.5 -1.5 -27.4 118 564 A D T > S+ 0 0 5 -3,-0.3 3,-1.8 -4,-0.2 -1,-0.3 0.005 84.5 159.7-124.0 19.5 10.4 -4.1 -29.3 119 565 A L T < S+ 0 0 0 -3,-2.0 -46,-0.2 1,-0.3 33,-0.2 -0.188 71.5 5.1 -48.7 136.1 6.9 -3.0 -28.2 120 566 A D T 3 S+ 0 0 16 -48,-1.9 -1,-0.3 1,-0.2 -47,-0.1 0.682 85.6 173.2 58.7 24.9 4.1 -4.2 -30.5 121 567 A H < - 0 0 12 -3,-1.8 -47,-0.4 -42,-0.2 -1,-0.2 -0.384 21.7-159.2 -62.6 136.3 6.6 -6.2 -32.7 122 568 A R - 0 0 72 2,-0.3 -1,-0.1 -49,-0.1 3,-0.1 0.356 46.8-100.0-100.0 3.8 4.6 -8.3 -35.3 123 569 A G S S+ 0 0 9 1,-0.3 2,-0.4 -44,-0.1 130,-0.1 0.614 89.1 120.2 84.3 13.4 7.3 -10.9 -36.0 124 570 A F - 0 0 45 128,-0.0 -2,-0.3 129,-0.0 -1,-0.3 -0.942 56.2-135.4-116.0 138.6 8.2 -9.0 -39.2 125 571 A S > - 0 0 31 -2,-0.4 4,-1.7 -3,-0.1 3,-0.3 -0.373 28.3-109.2 -81.3 163.6 11.5 -7.4 -40.2 126 572 A N H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.859 119.9 61.8 -59.1 -36.9 12.1 -3.9 -41.7 127 573 A S H > S+ 0 0 89 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.911 105.8 45.6 -52.8 -49.1 13.1 -5.8 -45.0 128 574 A Y H >> S+ 0 0 28 -3,-0.3 4,-3.0 2,-0.2 3,-0.9 0.959 113.4 46.2 -59.0 -62.2 9.5 -7.3 -45.2 129 575 A L H 3<>S+ 0 0 4 -4,-1.7 5,-2.4 1,-0.2 8,-0.2 0.852 114.8 48.3 -51.2 -41.8 7.6 -4.0 -44.4 130 576 A Q H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.688 116.0 43.3 -74.2 -25.1 9.7 -2.0 -46.9 131 577 A K H <<5S+ 0 0 115 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.868 116.6 44.5 -86.0 -45.1 9.3 -4.6 -49.7 132 578 A F T <5S- 0 0 53 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.1 0.173 109.3-124.7 -88.8 18.6 5.6 -5.3 -49.3 133 579 A D T 5 - 0 0 140 -5,-0.2 -3,-0.2 1,-0.1 -4,-0.1 0.857 40.4-176.0 34.4 63.3 5.0 -1.5 -49.0 134 580 A H >>< - 0 0 57 -5,-2.4 3,-1.2 -6,-0.1 4,-1.0 -0.582 38.8-109.9 -79.9 147.3 3.2 -1.8 -45.6 135 581 A P H >> S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 3,-0.6 0.834 119.6 59.2 -49.4 -36.8 1.8 1.5 -44.0 136 582 A L H 3> S+ 0 0 13 1,-0.2 4,-3.3 2,-0.2 -6,-0.1 0.870 102.4 53.1 -58.1 -40.1 4.5 1.5 -41.3 137 583 A A H <4 S+ 0 0 15 -3,-1.2 -1,-0.2 -8,-0.2 -7,-0.1 0.769 111.2 45.9 -66.8 -28.2 7.2 1.6 -44.1 138 584 A A H << S+ 0 0 88 -4,-1.0 3,-0.3 -3,-0.6 -2,-0.2 0.903 117.2 43.7 -78.0 -44.5 5.4 4.8 -45.6 139 585 A L H < S+ 0 0 122 -4,-2.5 2,-0.5 1,-0.3 -2,-0.2 0.912 128.4 29.8 -63.6 -46.7 5.1 6.4 -42.2 140 586 A Y < - 0 0 37 -4,-3.3 -1,-0.3 -5,-0.2 4,-0.1 -0.874 66.0-179.9-123.5 93.5 8.8 5.4 -41.2 141 587 A S S S+ 0 0 94 -2,-0.5 2,-0.3 -3,-0.3 3,-0.2 0.784 75.0 33.1 -61.9 -33.1 11.0 5.2 -44.3 142 588 A T S S+ 0 0 97 1,-0.2 5,-0.2 2,-0.1 -1,-0.0 -0.931 126.7 9.0-129.0 147.5 14.1 4.2 -42.2 143 589 A S S > S- 0 0 5 -2,-0.3 4,-2.5 3,-0.1 5,-0.2 0.900 79.6-178.8 46.2 50.7 14.3 2.0 -38.9 144 590 A T H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.1 0.897 70.7 34.6 -44.5 -66.2 10.6 1.2 -39.6 145 591 A M H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.864 114.6 59.0 -63.4 -39.0 9.8 -1.0 -36.6 146 592 A E H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.892 106.9 46.4 -61.4 -37.8 12.2 0.9 -34.2 147 593 A Q H X S+ 0 0 67 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.911 112.9 51.2 -69.7 -37.5 10.3 4.2 -34.8 148 594 A H H X S+ 0 0 12 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.896 108.7 51.1 -64.9 -39.3 7.0 2.3 -34.3 149 595 A H H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.865 111.5 47.4 -63.8 -40.4 8.4 0.9 -31.0 150 596 A F H X S+ 0 0 35 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.916 110.7 51.3 -66.6 -42.6 9.3 4.4 -29.8 151 597 A S H X S+ 0 0 37 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.913 109.4 51.4 -58.8 -43.4 5.8 5.7 -30.9 152 598 A Q H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.850 106.4 53.7 -60.4 -41.7 4.3 2.8 -28.8 153 599 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 3,-0.2 0.928 109.7 47.5 -57.9 -50.2 6.4 3.7 -25.7 154 600 A V H X S+ 0 0 32 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.905 110.4 53.8 -56.2 -46.6 5.1 7.4 -25.9 155 601 A S H < S+ 0 0 14 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.822 110.3 45.5 -60.5 -35.4 1.5 6.0 -26.3 156 602 A I H >< S+ 0 0 0 -4,-1.7 3,-1.6 -3,-0.2 -2,-0.2 0.916 111.5 52.5 -75.8 -40.8 1.9 3.9 -23.1 157 603 A L H 3< S+ 0 0 1 -4,-2.6 5,-0.3 1,-0.3 -2,-0.2 0.857 105.1 56.7 -59.2 -35.9 3.4 6.9 -21.2 158 604 A Q T 3< S+ 0 0 141 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.495 86.1 106.9 -74.1 -8.6 0.3 9.0 -22.3 159 605 A L S X S- 0 0 42 -3,-1.6 3,-1.8 -4,-0.2 4,-0.4 -0.358 88.3 -81.3 -72.2 155.9 -2.1 6.5 -20.7 160 606 A E T 3 S- 0 0 176 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.390 113.8 -2.0 -61.5 125.2 -4.0 7.5 -17.4 161 607 A G T 3 S+ 0 0 21 -2,-0.1 -1,-0.3 -3,-0.1 -97,-0.2 0.645 109.5 100.3 65.0 22.1 -1.7 6.9 -14.4 162 608 A H < + 0 0 2 -3,-1.8 2,-2.0 -5,-0.3 -2,-0.2 0.400 41.9 110.6-111.5 -6.4 1.1 5.5 -16.6 163 609 A N > + 0 0 36 -4,-0.4 3,-1.8 1,-0.2 4,-0.3 -0.477 33.6 168.6 -79.6 82.3 3.3 8.6 -16.8 164 610 A I T 3 S+ 0 0 1 -2,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.697 77.7 54.5 -61.6 -22.8 6.3 7.5 -14.7 165 611 A F T > S+ 0 0 0 1,-0.2 3,-2.3 -3,-0.2 -1,-0.3 0.455 74.4 102.9 -93.5 -0.4 8.2 10.6 -15.9 166 612 A S T < S+ 0 0 64 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.832 74.3 62.3 -48.6 -40.1 5.5 13.2 -14.8 167 613 A T T 3 S+ 0 0 106 -3,-0.3 -1,-0.3 -4,-0.3 2,-0.2 0.382 88.9 92.1 -69.3 -0.1 7.7 14.1 -11.7 168 614 A L S < S- 0 0 25 -3,-2.3 2,-0.1 1,-0.1 -3,-0.0 -0.607 87.7 -98.0 -92.4 161.7 10.6 15.3 -14.0 169 615 A S > - 0 0 58 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.383 37.1-107.6 -73.6 154.0 11.0 19.0 -15.2 170 616 A S H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.821 124.7 48.0 -53.1 -31.0 9.6 19.8 -18.8 171 617 A S H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.962 113.2 45.0 -70.7 -56.3 13.4 20.0 -19.8 172 618 A E H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.816 111.9 54.1 -57.1 -37.5 14.4 16.6 -18.1 173 619 A Y H X S+ 0 0 46 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.937 110.5 45.2 -62.4 -48.8 11.2 15.0 -19.6 174 620 A E H X S+ 0 0 100 -4,-1.6 4,-1.4 -5,-0.3 -2,-0.2 0.876 113.5 52.0 -63.3 -35.0 12.2 16.1 -23.1 175 621 A Q H X S+ 0 0 91 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.877 111.6 45.1 -67.2 -44.9 15.8 14.9 -22.3 176 622 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.896 109.8 54.1 -69.5 -40.0 14.6 11.4 -21.2 177 623 A L H X S+ 0 0 25 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.849 111.7 47.1 -62.8 -30.7 12.2 11.0 -24.2 178 624 A E H X S+ 0 0 76 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.816 108.8 52.4 -76.9 -36.4 15.3 11.8 -26.4 179 625 A I H X S+ 0 0 30 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.961 115.0 43.9 -59.2 -49.1 17.6 9.3 -24.5 180 626 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.833 112.2 52.0 -62.4 -45.3 14.8 6.6 -25.1 181 627 A R H X S+ 0 0 81 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.955 114.1 42.2 -60.6 -51.5 14.2 7.6 -28.8 182 628 A K H X S+ 0 0 79 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.890 115.7 50.0 -63.4 -40.7 17.9 7.4 -29.7 183 629 A A H X S+ 0 0 2 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.912 113.9 44.2 -63.0 -48.7 18.4 4.1 -27.6 184 630 A I H >< S+ 0 0 0 -4,-2.6 3,-1.3 2,-0.2 -2,-0.2 0.948 115.3 48.7 -62.2 -46.6 15.3 2.4 -29.2 185 631 A I H >< S+ 0 0 29 -4,-2.6 3,-2.1 1,-0.2 6,-0.2 0.901 102.8 62.1 -61.3 -37.2 16.4 3.6 -32.7 186 632 A A H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.730 88.0 73.6 -63.4 -17.4 20.0 2.3 -32.1 187 633 A T T << + 0 0 7 -3,-1.3 2,-0.8 -4,-0.7 -1,-0.3 0.523 68.6 103.1 -72.6 -6.7 18.5 -1.3 -31.8 188 634 A D S X> S- 0 0 15 -3,-2.1 3,-1.7 1,-0.2 4,-0.6 -0.731 70.1-149.9 -75.1 110.6 18.0 -1.2 -35.6 189 635 A L H >> S+ 0 0 55 -2,-0.8 4,-0.9 1,-0.3 3,-0.6 0.732 91.1 71.6 -56.4 -27.3 21.0 -3.5 -36.6 190 636 A A H 34 S+ 0 0 70 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.875 101.9 46.3 -53.2 -36.4 21.4 -1.6 -39.9 191 637 A L H <> S+ 0 0 79 -3,-1.7 4,-2.1 -6,-0.2 -1,-0.2 0.673 97.1 73.7 -78.3 -25.3 22.8 1.3 -37.8 192 638 A Y H S+ 0 0 41 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.915 116.2 52.0 -63.6 -47.2 28.4 2.3 -38.8 195 641 A N H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.889 111.6 46.2 -55.8 -49.1 28.2 3.0 -35.1 196 642 A R H X S+ 0 0 59 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.934 111.6 50.4 -62.0 -50.6 30.7 0.3 -34.2 197 643 A K H X S+ 0 0 154 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.903 112.4 48.6 -54.2 -44.4 33.3 1.3 -36.9 198 644 A Q H X S+ 0 0 70 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.928 112.6 47.4 -61.8 -48.0 33.1 5.0 -35.6 199 645 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.862 109.1 53.8 -62.0 -40.1 33.6 3.9 -32.0 200 646 A E H X S+ 0 0 30 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.902 112.0 45.6 -59.7 -42.8 36.5 1.6 -32.9 201 647 A E H X S+ 0 0 115 -4,-1.8 4,-2.6 2,-0.2 6,-0.3 0.942 113.7 48.0 -65.4 -50.5 38.2 4.6 -34.6 202 648 A M H <>S+ 0 0 20 -4,-2.8 6,-2.0 1,-0.2 5,-1.6 0.883 116.6 43.9 -57.6 -44.5 37.4 7.0 -31.7 203 649 A Y H ><5S+ 0 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