==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 28-OCT-10 3PFM . COMPND 2 MOLECULE: GGDEF DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR B.NOCEK,A.STEIN,N.MARSHALL,S.CLANCY,A.JOACHIMIAK,MIDWEST CEN . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 81.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 7.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 0 0 0 0 1 1 0 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 0 2 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 2 0 0 0 0 0 0 1 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 1 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 1 406 A S > 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 1.3 24.2 16.4 84.4 2 407 A N H > + 0 0 98 1,-0.2 4,-0.8 2,-0.2 0, 0.0 0.855 360.0 44.4 -40.8 -32.4 26.6 14.1 86.3 3 408 A A H >> S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.917 101.4 61.2 -81.8 -50.0 23.6 11.8 85.9 4 409 A D H 3> S+ 0 0 85 1,-0.3 4,-2.9 2,-0.2 5,-0.4 0.870 101.0 58.5 -46.2 -42.1 22.7 12.4 82.3 5 410 A H H 3X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.945 107.8 45.5 -52.5 -50.1 26.1 11.1 81.5 6 411 A H H S+ 0 0 0 -4,-1.7 5,-1.6 2,-0.2 4,-1.0 0.872 109.4 47.6 -65.1 -38.1 22.8 -0.3 72.0 16 421 A L H <5S+ 0 0 13 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.908 118.3 40.2 -65.2 -43.2 26.3 -1.1 70.7 17 422 A S H <5S+ 0 0 80 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.716 123.1 38.6 -83.8 -20.4 26.4 -4.5 72.3 18 423 A E H <5S- 0 0 43 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.439 105.3-117.5-109.0 -6.1 22.8 -5.5 71.5 19 424 A Q T <5 + 0 0 109 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.933 53.8 156.8 70.6 46.8 22.5 -4.0 68.0 20 425 A H < + 0 0 78 -5,-1.6 27,-0.5 -6,-0.2 2,-0.3 0.364 37.4 110.4 -84.0 4.7 19.7 -1.5 68.8 21 426 A F E -A 46 0A 1 -6,-0.5 2,-0.3 25,-0.1 25,-0.2 -0.648 58.8-146.9 -84.6 138.3 20.7 0.7 65.8 22 427 A Q E -A 45 0A 77 23,-3.1 23,-2.5 -2,-0.3 2,-0.5 -0.793 14.7-122.8-104.4 145.3 18.4 0.8 62.8 23 428 A L E -A 44 0A 28 -2,-0.3 2,-0.3 21,-0.2 219,-0.3 -0.799 31.0-177.0 -94.1 126.8 19.6 1.1 59.3 24 429 A Y E -A 43 0A 33 19,-3.3 19,-3.7 -2,-0.5 2,-0.5 -0.935 12.4-146.4-124.6 147.4 18.2 4.1 57.3 25 430 A F E -A 42 0A 11 215,-1.9 215,-0.3 -2,-0.3 17,-0.2 -0.918 7.7-167.1-127.1 113.8 18.8 5.1 53.7 26 431 A Q E -A 41 0A 31 15,-2.1 15,-3.2 -2,-0.5 2,-0.2 -0.833 28.4-128.7 -91.1 117.5 19.0 8.5 52.1 27 432 A P E -A 40 0A 28 0, 0.0 2,-0.5 0, 0.0 206,-0.4 -0.479 15.6-158.7 -61.3 128.8 18.8 8.4 48.3 28 433 A V E -A 39 0A 0 11,-2.6 10,-2.8 -2,-0.2 11,-1.4 -0.982 24.9-176.2-107.5 126.7 21.6 10.3 46.5 29 434 A V E -AB 37 231A 5 202,-3.1 202,-3.1 -2,-0.5 2,-0.3 -0.655 29.1 -80.8-123.1 172.1 20.4 11.1 42.9 30 435 A A E - B 0 230A 0 6,-2.7 200,-0.3 3,-0.8 6,-0.2 -0.538 25.7-144.2 -75.1 129.3 21.4 12.5 39.5 31 436 A A S S+ 0 0 1 198,-1.5 3,-0.3 -2,-0.3 193,-0.2 0.883 103.7 51.1 -57.6 -37.2 21.2 16.3 39.2 32 437 A R S S+ 0 0 152 197,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.778 131.1 11.7 -73.8 -29.7 20.0 15.9 35.6 33 438 A D > - 0 0 63 -3,-0.2 3,-1.7 3,-0.2 -3,-0.8 -0.817 60.7-164.5-152.3 109.6 17.3 13.5 36.7 34 439 A T T 3 S+ 0 0 48 -3,-0.3 -3,-0.1 1,-0.3 -2,-0.1 0.507 88.1 71.8 -75.6 -3.2 16.4 13.1 40.3 35 440 A H T 3 S+ 0 0 164 -5,-0.1 2,-0.6 -6,-0.1 -1,-0.3 0.615 85.5 79.8 -82.9 -13.8 14.5 9.9 39.4 36 441 A L S < S- 0 0 78 -3,-1.7 -6,-2.7 -6,-0.2 2,-0.4 -0.846 72.1-157.5 -92.3 119.0 17.9 8.3 38.8 37 442 A V E -A 29 0A 64 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.815 13.3-170.1 -98.0 140.5 19.6 7.2 42.0 38 443 A L E - 0 0 34 -10,-2.8 2,-0.3 1,-0.5 -9,-0.2 0.827 68.6 -39.4 -92.3 -41.6 23.4 6.8 42.1 39 444 A H E -A 28 0A 11 -11,-1.4 -11,-2.6 50,-0.1 2,-0.5 -0.949 59.6-101.1-172.7 170.5 23.5 5.1 45.5 40 445 A Y E -Ac 27 91A 57 50,-2.5 52,-2.0 -2,-0.3 2,-0.3 -0.939 27.1-135.1-109.9 124.6 22.0 5.3 48.9 41 446 A K E -Ac 26 92A 9 -15,-3.2 -15,-2.1 -2,-0.5 2,-0.6 -0.581 25.3-129.2 -69.3 136.8 23.7 7.0 51.8 42 447 A V E -Ac 25 93A 3 50,-3.0 52,-0.5 -2,-0.3 2,-0.3 -0.819 27.6-177.2 -96.3 123.8 23.5 4.9 54.9 43 448 A L E -A 24 0A 31 -19,-3.7 -19,-3.3 -2,-0.6 2,-0.5 -0.852 17.5-138.3-113.4 150.2 22.3 6.5 58.2 44 449 A S E +A 23 0A 18 -2,-0.3 12,-0.3 -21,-0.2 2,-0.3 -0.925 26.2 175.3-108.9 131.0 22.0 5.0 61.6 45 450 A R E -A 22 0A 44 -23,-2.5 -23,-3.1 -2,-0.5 2,-0.3 -0.845 22.3-136.1-129.3 167.2 19.0 5.7 63.9 46 451 A L E -AD 21 54A 12 8,-1.3 8,-1.3 -2,-0.3 2,-0.5 -0.918 17.5-134.8-116.8 148.8 17.6 4.7 67.2 47 452 A L E - D 0 53A 77 -27,-0.5 6,-0.2 -2,-0.3 5,-0.1 -0.878 12.9-145.4-105.2 129.4 14.0 3.9 68.0 48 453 A D > - 0 0 41 4,-2.4 3,-1.8 -2,-0.5 6,-0.0 -0.364 39.6 -94.0 -78.1 169.0 12.2 5.2 71.0 49 454 A E T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.826 128.7 55.3 -53.0 -32.5 9.6 3.1 72.9 50 455 A Q T 3 S- 0 0 151 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.684 120.0-109.9 -75.4 -18.9 6.9 4.9 70.7 51 456 A G S < S+ 0 0 43 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.244 73.0 138.4 105.3 -10.9 8.7 3.9 67.5 52 457 A Q - 0 0 53 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.227 54.5-104.0 -67.5 157.5 9.8 7.4 66.7 53 458 A T E -D 47 0A 65 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.442 19.0-152.0 -88.8 157.7 13.3 8.0 65.3 54 459 A I E -D 46 0A 47 -8,-1.3 -8,-1.3 -2,-0.1 5,-0.1 -0.935 19.2-142.2-130.1 105.8 16.4 9.4 67.0 55 460 A P >> - 0 0 56 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.275 19.9-119.4 -70.0 154.1 18.9 11.1 64.7 56 461 A A H >> S+ 0 0 19 -12,-0.3 4,-4.0 1,-0.3 3,-1.3 0.837 109.6 74.9 -60.1 -33.9 22.7 10.9 65.2 57 462 A G H 34 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.721 102.4 42.5 -48.3 -21.1 22.7 14.7 65.7 58 463 A R H <4 S+ 0 0 48 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.619 127.8 25.9-104.7 -15.4 21.3 13.8 69.1 59 464 A F H X S+ 0 0 64 -4,-4.0 4,-2.3 1,-0.2 3,-0.7 0.974 93.1 57.8 -56.6 -53.7 26.7 11.1 68.2 61 466 A P H 3> S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.856 106.5 48.9 -41.7 -44.6 27.9 13.8 70.6 62 467 A W H 3> S+ 0 0 52 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.901 108.7 53.4 -67.1 -36.7 27.4 11.3 73.4 63 468 A L H S+ 0 0 0 -4,-2.1 5,-2.6 -3,-0.7 4,-0.6 0.881 108.8 50.1 -62.9 -40.9 29.3 8.7 71.5 64 469 A E H ><5S+ 0 0 139 -4,-2.3 3,-1.2 3,-0.2 -2,-0.2 0.935 107.7 52.3 -59.4 -50.3 32.2 11.2 71.1 65 470 A R H 3<5S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.837 116.7 40.3 -60.3 -31.7 32.3 12.0 74.9 66 471 A F H 3<5S- 0 0 40 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.513 108.4-126.2 -91.8 -8.7 32.5 8.3 75.7 67 472 A G T <<5S+ 0 0 52 -3,-1.2 -3,-0.2 -4,-0.6 4,-0.1 0.933 71.5 125.2 58.2 51.2 34.9 7.6 72.8 68 473 A W >< + 0 0 28 -5,-2.6 4,-1.4 2,-0.1 -4,-0.2 0.143 30.3 109.8-117.3 15.5 32.8 4.8 71.3 69 474 A T H >> S+ 0 0 17 -6,-0.5 4,-2.2 1,-0.3 3,-0.8 0.946 80.7 47.7 -65.6 -47.5 32.6 6.2 67.9 70 475 A S H 3> S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.934 105.7 62.2 -47.1 -48.2 34.8 3.5 66.4 71 476 A R H 3> S+ 0 0 90 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.828 108.4 41.4 -54.9 -33.3 32.7 1.0 68.3 72 477 A L H XX S+ 0 0 10 -4,-1.4 3,-3.5 -3,-0.8 4,-1.9 0.975 103.4 63.8 -77.3 -61.3 29.7 2.1 66.2 73 478 A D H 3X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.792 106.1 47.7 -25.6 -51.2 31.3 2.4 62.9 74 479 A L H 3X S+ 0 0 33 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.745 106.2 55.4 -73.5 -23.0 32.0 -1.3 63.0 75 480 A L H < S+ 0 0 67 -4,-2.1 3,-1.2 -5,-0.3 4,-0.4 0.946 109.2 48.8 -66.1 -47.2 24.9 -8.2 56.0 83 488 A Q H >< S+ 0 0 34 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.853 101.4 67.2 -56.5 -37.4 22.1 -6.1 54.5 84 489 A X G >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.616 82.4 70.4 -68.1 -16.7 23.7 -5.9 51.1 85 490 A A G < S+ 0 0 81 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.821 89.6 64.8 -69.6 -26.4 23.4 -9.6 50.2 86 491 A S G < S+ 0 0 88 -3,-1.4 2,-0.2 -4,-0.4 -1,-0.2 0.460 113.9 15.1 -73.7 -1.9 19.7 -9.1 49.8 87 492 A H < - 0 0 22 -3,-1.1 0, 0.0 -4,-0.1 0, 0.0 -0.860 63.2-123.5-157.9-174.9 20.1 -6.8 46.9 88 493 A E + 0 0 152 -2,-0.2 2,-0.2 2,-0.1 -3,-0.1 -0.091 62.9 120.3-139.4 35.4 22.3 -5.3 44.2 89 494 A D - 0 0 66 -5,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.522 65.2-103.7 -95.0 167.1 22.2 -1.5 44.8 90 495 A C - 0 0 55 -2,-0.2 -50,-2.5 -52,-0.1 2,-0.3 -0.778 36.4-162.1-100.5 136.1 25.1 0.8 45.6 91 496 A L E -ce 40 123A 0 31,-3.9 33,-3.0 -2,-0.4 2,-0.4 -0.827 13.5-153.9-119.5 153.8 25.7 1.9 49.2 92 497 A A E -ce 41 124A 0 -52,-2.0 -50,-3.0 -2,-0.3 2,-0.4 -0.989 16.8-164.6-124.8 124.5 27.7 4.7 50.9 93 498 A L E -ce 42 125A 5 31,-2.6 33,-3.5 -2,-0.4 2,-0.2 -0.907 18.8-118.4-116.6 139.4 28.9 4.3 54.5 94 499 A N E - e 0 126A 56 -52,-0.5 2,-0.4 -2,-0.4 33,-0.2 -0.424 24.0-166.3 -70.2 137.7 30.2 6.8 57.0 95 500 A L E - e 0 127A 11 31,-2.3 33,-0.6 -2,-0.2 2,-0.3 -0.995 11.6-140.9-129.2 136.2 33.7 6.5 58.4 96 501 A S >> - 0 0 10 -2,-0.4 4,-1.8 31,-0.1 3,-1.2 -0.744 19.4-131.4-107.6 139.4 34.9 8.4 61.4 97 502 A A H 3> S+ 0 0 29 -2,-0.3 4,-3.0 1,-0.3 5,-0.3 0.858 111.8 63.7 -46.9 -39.3 38.3 10.1 62.2 98 503 A A H 3> S+ 0 0 45 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.904 104.5 43.8 -51.1 -47.6 38.0 8.2 65.5 99 504 A T H <4 S+ 0 0 0 -3,-1.2 7,-0.8 1,-0.2 -1,-0.2 0.830 114.6 50.3 -69.8 -31.2 38.2 4.9 63.6 100 505 A L H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 105.9 53.0 -75.7 -40.6 41.0 6.1 61.4 101 506 A A H < S+ 0 0 89 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.671 98.6 77.2 -67.6 -17.1 43.3 7.4 64.2 102 507 A D X - 0 0 64 -4,-0.6 4,-2.1 -5,-0.3 3,-0.2 -0.846 64.6-164.5-102.3 106.1 43.0 4.0 65.9 103 508 A P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.894 91.0 54.4 -52.5 -45.7 45.2 1.4 64.3 104 509 A H H > S+ 0 0 69 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.905 107.6 51.4 -58.8 -42.8 43.3 -1.5 66.0 105 510 A A H >> S+ 0 0 7 2,-0.2 4,-2.4 -3,-0.2 3,-1.1 0.991 110.4 46.6 -58.7 -62.0 40.0 -0.2 64.6 106 511 A L H >X S+ 0 0 26 -4,-2.1 4,-1.4 -7,-0.8 3,-1.3 0.940 108.0 54.4 -41.7 -73.1 41.1 0.0 61.1 107 512 A N H 3X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.775 108.0 53.1 -37.3 -33.9 42.7 -3.4 61.1 108 513 A R H X S+ 0 0 5 -4,-2.4 3,-1.4 2,-0.2 4,-0.9 0.984 111.6 50.3 -67.2 -59.2 35.8 -7.3 58.0 113 518 A L H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 6,-0.2 0.895 104.1 60.6 -42.2 -49.2 36.1 -6.1 54.4 114 519 A R H >< S+ 0 0 120 -4,-2.9 3,-0.7 1,-0.3 -1,-0.3 0.858 101.0 54.1 -50.1 -37.7 38.3 -9.1 53.6 115 520 A Q H << S+ 0 0 130 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.732 114.0 42.6 -72.4 -19.6 35.4 -11.4 54.5 116 521 A H T X< + 0 0 53 -3,-1.7 3,-0.9 -4,-0.9 -1,-0.3 -0.478 64.4 142.3-125.3 62.5 33.1 -9.5 52.1 117 522 A S G X + 0 0 65 -3,-0.7 3,-1.9 1,-0.2 -1,-0.1 0.851 65.8 68.8 -69.6 -35.6 35.2 -9.0 48.9 118 523 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.2 -3,-0.2 4,-0.1 0.600 96.3 55.7 -57.7 -15.7 32.3 -9.6 46.6 119 524 A L G <> S+ 0 0 17 -3,-0.9 4,-0.7 -6,-0.2 -1,-0.3 0.194 73.1 105.8-107.9 14.6 30.7 -6.3 47.8 120 525 A G T X4 S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.2 31,-0.6 0.968 77.8 51.5 -56.2 -58.0 33.6 -4.1 46.9 121 526 A P T 34 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.813 112.9 46.7 -47.6 -35.5 31.9 -2.5 43.9 122 527 A R T 34 S+ 0 0 17 -3,-0.2 -31,-3.9 -4,-0.1 2,-0.6 0.469 98.9 74.1 -97.1 -2.6 28.8 -1.7 45.8 123 528 A L E << -e 91 0A 0 -3,-1.6 28,-1.5 -4,-0.7 2,-0.6 -0.931 50.6-179.6-120.6 116.5 30.2 -0.1 48.9 124 529 A T E -ef 92 151A 12 -33,-3.0 -31,-2.6 -2,-0.6 2,-0.4 -0.954 16.7-150.0-108.4 120.6 31.7 3.3 49.1 125 530 A L E -ef 93 152A 0 26,-2.6 28,-2.2 -2,-0.6 2,-0.5 -0.744 13.1-154.0 -86.6 133.2 33.1 4.5 52.4 126 531 A E E -ef 94 153A 0 -33,-3.5 -31,-2.3 -2,-0.4 2,-0.3 -0.919 10.3-171.6-110.0 133.2 32.9 8.2 53.0 127 532 A I E -ef 95 154A 1 26,-2.3 28,-1.8 -2,-0.5 2,-0.1 -0.918 26.0-114.3-116.2 151.6 35.1 10.2 55.3 128 533 A G E - f 0 155A 0 -33,-0.6 28,-0.2 -2,-0.3 29,-0.0 -0.448 6.2-142.3 -81.8 153.6 34.7 13.9 56.1 129 534 A E S S+ 0 0 26 26,-2.0 3,-0.3 -2,-0.1 -1,-0.1 0.961 99.9 61.3 -71.6 -58.7 37.1 16.6 55.2 130 535 A E S S+ 0 0 81 25,-0.3 2,-0.8 26,-0.3 -1,-0.1 0.836 113.9 36.5 -35.1 -53.2 36.6 18.5 58.4 131 536 A Q S S+ 0 0 81 0, 0.0 -3,-0.3 0, 0.0 -1,-0.3 -0.786 91.2 151.6-109.5 91.8 38.0 15.5 60.3 132 537 A L - 0 0 50 -2,-0.8 -3,-0.1 -3,-0.3 6,-0.0 -0.926 41.4-114.7-132.5 143.5 40.7 14.1 58.0 133 538 A P - 0 0 33 0, 0.0 -1,-0.0 0, 0.0 -36,-0.0 -0.176 43.3 -88.8 -69.2 163.0 44.0 12.1 58.3 134 539 A E > - 0 0 73 1,-0.1 4,-1.2 4,-0.0 0, 0.0 -0.083 47.4 -97.4 -62.8 170.9 47.4 13.4 57.4 135 540 A Q H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.944 117.0 51.5 -60.2 -51.9 48.7 13.0 53.8 136 541 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.922 111.2 43.5 -52.5 -57.7 50.7 9.8 54.3 137 542 A X H > S+ 0 0 128 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.780 110.0 60.2 -64.4 -25.7 48.1 7.6 56.1 138 543 A L H X S+ 0 0 2 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.916 105.7 44.2 -68.6 -46.5 45.5 8.8 53.6 139 544 A E H X S+ 0 0 28 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.897 115.3 50.6 -64.9 -38.6 47.3 7.4 50.5 140 545 A Q H X S+ 0 0 91 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.967 107.5 54.2 -61.4 -52.5 48.0 4.2 52.5 141 546 A L H X S+ 0 0 11 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.873 108.5 47.0 -46.1 -48.9 44.4 3.9 53.4 142 547 A T H X S+ 0 0 16 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.892 110.5 53.7 -67.1 -38.4 43.2 4.1 49.8 143 548 A R H X S+ 0 0 131 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.953 108.3 48.8 -55.1 -54.0 45.8 1.6 48.8 144 549 A R H X S+ 0 0 64 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.874 115.6 45.3 -55.3 -39.1 44.6 -0.8 51.4 145 550 A L H X>S+ 0 0 2 -4,-1.9 5,-2.7 -5,-0.2 4,-0.6 0.837 109.3 54.3 -75.2 -35.2 41.0 -0.2 50.1 146 551 A R H ><5S+ 0 0 66 -4,-3.0 3,-0.9 3,-0.2 -2,-0.2 0.909 105.2 54.3 -62.9 -44.0 42.0 -0.6 46.5 147 552 A E H 3<5S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.850 112.6 43.8 -57.6 -35.6 43.5 -4.0 47.1 148 553 A L H 3<5S- 0 0 20 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 117.7-113.3 -90.6 -5.5 40.2 -5.1 48.7 149 554 A G T <<5 + 0 0 36 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.849 67.7 134.7 79.0 37.2 38.1 -3.5 45.9 150 555 A F < - 0 0 12 -5,-2.7 2,-0.3 -8,-0.2 -1,-0.2 -0.896 46.5-129.2-121.8 152.1 36.3 -0.7 47.8 151 556 A S E -f 124 0A 35 -28,-1.5 -26,-2.6 -31,-0.6 2,-0.4 -0.679 14.1-154.8-102.4 149.5 35.7 2.9 47.0 152 557 A L E -f 125 0A 5 19,-0.4 21,-3.2 -2,-0.3 22,-0.5 -0.946 12.1-179.3-123.5 142.6 36.4 6.0 49.1 153 558 A S E -fg 126 174A 0 -28,-2.2 -26,-2.3 -2,-0.4 2,-0.4 -0.892 20.6-130.2-131.9 162.7 34.8 9.4 49.0 154 559 A L E -fg 127 175A 4 20,-1.3 22,-3.1 -2,-0.3 2,-0.3 -0.906 24.4-173.4-110.2 148.9 35.1 12.7 50.8 155 560 A Q E +f 128 0A 4 -28,-1.8 -26,-2.0 -2,-0.4 -25,-0.3 -0.844 63.0 38.1-132.5 172.2 32.2 14.6 52.2 156 561 A R E > S+ 0 0 80 -2,-0.3 3,-0.5 -28,-0.2 -26,-0.3 0.786 88.2 171.4 60.3 24.1 31.5 18.0 53.9 157 562 A F E 3 + g 0 177A 0 19,-2.5 21,-2.8 1,-0.2 -1,-0.2 -0.302 32.0 68.3 -76.1 150.3 34.0 19.1 51.2 158 563 A G T > S+ 0 0 3 19,-0.2 3,-0.8 -3,-0.1 -1,-0.2 -0.058 77.7 75.2 140.9 -37.0 35.0 22.6 50.3 159 564 A G T < S+ 0 0 50 -3,-0.5 3,-0.4 1,-0.3 -2,-0.1 0.854 99.6 45.7 -75.8 -37.5 36.9 24.2 53.3 160 565 A R T > S+ 0 0 33 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 -0.265 71.1 134.6 -98.0 44.3 40.1 22.3 52.6 161 566 A F G X + 0 0 50 -3,-0.8 3,-3.5 1,-0.3 -1,-0.2 0.892 58.6 75.3 -56.5 -39.1 39.9 23.1 48.9 162 567 A S G 3 S+ 0 0 120 -3,-0.4 3,-0.5 1,-0.3 -1,-0.3 0.734 90.3 57.2 -44.8 -26.5 43.6 24.0 49.1 163 568 A X G X> S+ 0 0 28 -3,-1.6 3,-1.7 1,-0.2 4,-0.6 0.377 70.6 114.4 -88.6 3.5 44.4 20.3 49.3 164 569 A I G X4 + 0 0 33 -3,-3.5 3,-1.0 1,-0.3 4,-0.2 0.789 68.9 60.6 -46.1 -36.3 42.6 19.7 46.0 165 570 A G G >4 S+ 0 0 56 -3,-0.5 3,-1.2 1,-0.2 4,-0.5 0.829 96.5 55.8 -64.6 -36.3 45.9 18.6 44.3 166 571 A N G <> S+ 0 0 66 -3,-1.7 4,-0.6 1,-0.3 -1,-0.2 0.627 90.2 78.0 -76.5 -6.5 46.7 15.7 46.5 167 572 A L H S+ 0 0 3 -3,-1.0 4,-1.0 -4,-0.6 5,-0.5 0.687 79.9 68.0 -75.8 -18.2 43.4 14.1 45.7 168 573 A A H <45S+ 0 0 54 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.950 89.1 61.2 -70.5 -46.7 44.5 12.9 42.4 169 574 A R H 45S+ 0 0 87 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.899 105.0 58.4 -40.6 -39.6 46.9 10.4 43.7 170 575 A L H <5S- 0 0 21 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.2 0.914 84.5-138.3 -68.8 -63.7 43.9 8.8 45.4 171 576 A G T <5 - 0 0 58 -4,-1.0 -19,-0.4 1,-0.1 -3,-0.1 0.851 27.5-172.3 93.2 40.0 41.1 7.7 43.2 172 577 A L < - 0 0 14 -5,-0.5 -19,-0.2 1,-0.1 3,-0.1 -0.303 26.3-132.9 -52.0 147.6 38.2 8.8 45.2 173 578 A A S S- 0 0 36 -21,-3.2 2,-0.3 1,-0.3 -20,-0.2 0.870 76.7 -27.4 -76.2 -40.1 34.9 7.6 43.9 174 579 A Y E -g 153 0A 12 -22,-0.5 -20,-1.3 33,-0.1 2,-0.4 -0.957 55.5-115.3-162.7 179.7 33.4 11.0 44.3 175 580 A L E -gh 154 209A 0 33,-1.6 35,-3.2 -2,-0.3 2,-0.7 -0.990 19.5-154.7-132.4 119.4 33.5 14.3 46.2 176 581 A K E - h 0 210A 0 -22,-3.1 -19,-2.5 -2,-0.4 2,-0.3 -0.858 17.1-142.4-103.5 113.4 30.5 15.4 48.2 177 582 A I E -gh 157 211A 1 33,-3.3 35,-2.1 -2,-0.7 -19,-0.2 -0.567 24.2-104.4 -83.3 129.0 30.4 19.1 48.6 178 583 A D > - 0 0 30 -21,-2.8 3,-2.4 -2,-0.3 4,-0.1 -0.247 25.5-132.7 -53.7 124.0 29.3 20.7 51.9 179 584 A G G > S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.530 100.0 77.1 -59.4 -5.6 25.8 22.0 51.4 180 585 A S G > S+ 0 0 54 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.850 90.1 54.7 -71.5 -31.9 26.9 25.2 53.0 181 586 A Y G < S+ 0 0 72 -3,-2.4 -1,-0.2 1,-0.2 14,-0.2 0.342 115.9 39.8 -79.7 8.9 28.5 26.2 49.7 182 587 A I G X S+ 0 0 2 -3,-0.9 3,-1.4 -4,-0.1 4,-0.3 0.346 80.2 119.6-133.8 -7.8 25.2 25.6 48.0 183 588 A R T < S- 0 0 84 -3,-0.7 3,-0.2 -4,-0.4 32,-0.2 0.859 94.8 -5.5 -44.7 -77.5 22.6 27.0 50.4 184 589 A D T >> S+ 0 0 55 -4,-0.2 3,-2.2 1,-0.2 4,-1.1 -0.191 83.1 143.7-113.3 46.2 20.8 29.7 48.6 185 590 A I T <4 + 0 0 1 -3,-1.4 3,-0.2 1,-0.3 7,-0.2 0.789 64.1 69.1 -56.4 -31.4 22.9 29.6 45.5 186 591 A D T 34 S+ 0 0 65 -4,-0.3 -1,-0.3 -3,-0.2 3,-0.2 0.852 116.5 23.5 -53.3 -36.4 19.8 30.4 43.5 187 592 A Q T <4 S+ 0 0 141 -3,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.377 118.7 63.2-115.2 3.6 19.7 33.9 45.0 188 593 A E >< + 0 0 85 -4,-1.1 3,-2.5 -3,-0.2 4,-0.3 -0.631 55.1 175.6-128.0 76.7 23.4 34.3 45.9 189 594 A S T >> S+ 0 0 76 1,-0.3 3,-1.4 -2,-0.3 4,-1.0 0.704 71.3 77.9 -52.5 -24.4 25.4 34.2 42.7 190 595 A D H 3> S+ 0 0 150 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.741 89.6 60.2 -60.5 -17.5 28.6 35.0 44.7 191 596 A K H <> S+ 0 0 43 -3,-2.5 4,-1.4 1,-0.2 3,-0.3 0.784 92.3 63.9 -79.8 -28.1 28.5 31.3 45.6 192 597 A R H <> S+ 0 0 63 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 0.909 90.2 63.7 -69.1 -39.5 28.7 30.0 42.1 193 598 A L H X S+ 0 0 123 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.904 104.1 50.3 -49.9 -40.8 32.1 31.3 41.3 194 599 A F H X S+ 0 0 63 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.959 109.3 49.5 -62.3 -49.4 33.4 29.0 44.1 195 600 A I H X S+ 0 0 1 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.920 106.9 55.9 -54.3 -49.7 31.6 25.9 42.7 196 601 A E H X S+ 0 0 104 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.906 104.5 52.8 -46.5 -51.1 33.0 26.5 39.2 197 602 A A H X S+ 0 0 46 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.924 110.6 49.1 -55.2 -47.0 36.5 26.5 40.5 198 603 A I H >X S+ 0 0 1 -4,-1.9 4,-4.1 2,-0.2 3,-0.5 0.967 111.3 47.0 -53.5 -62.7 35.7 23.1 42.1 199 604 A Q H 3X S+ 0 0 42 -4,-2.8 4,-3.0 1,-0.2 5,-0.5 0.900 110.6 52.7 -45.7 -48.4 34.2 21.6 39.0 200 605 A R H 3X S+ 0 0 71 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.853 118.0 37.9 -65.2 -29.4 37.1 22.8 36.8 201 606 A A H <>S+ 0 0 1 -4,-4.1 5,-2.2 2,-0.2 3,-1.2 0.976 115.0 47.5 -54.6 -59.9 37.4 18.0 40.0 203 608 A H H ><5S+ 0 0 147 -4,-3.0 3,-2.1 -5,-0.3 -1,-0.2 0.899 105.6 63.5 -45.5 -43.4 36.6 17.5 36.3 204 609 A S H 3<5S+ 0 0 82 -4,-0.7 -1,-0.3 -5,-0.5 -2,-0.2 0.864 113.0 31.8 -51.2 -42.1 40.3 18.0 35.8 205 610 A I T <<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-1.2 -2,-0.2 0.032 116.7-108.7-107.2 24.8 41.1 14.9 37.8 206 611 A D T < 5 + 0 0 139 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.828 67.6 149.1 51.4 39.4 37.9 13.0 36.8 207 612 A L < - 0 0 11 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.922 41.2-137.7-102.3 117.4 36.4 13.4 40.2 208 613 A P - 0 0 48 0, 0.0 -33,-1.6 0, 0.0 2,-0.4 -0.368 16.0-135.9 -66.4 153.1 32.6 13.5 40.2 209 614 A L E -h 175 0A 6 -35,-0.2 21,-2.2 -2,-0.1 20,-0.5 -0.942 15.0-167.4-121.2 133.5 30.8 16.1 42.4 210 615 A I E -hi 176 230A 1 -35,-3.2 -33,-3.3 -2,-0.4 2,-0.6 -0.966 19.0-133.7-121.5 136.3 27.8 15.6 44.6 211 616 A A E -hi 177 231A 0 19,-2.5 21,-2.1 -2,-0.4 3,-0.4 -0.788 22.4-147.2 -93.4 118.9 25.9 18.4 46.2 212 617 A E + 0 0 8 -35,-2.1 21,-0.1 -2,-0.6 -30,-0.1 -0.498 67.7 7.6 -84.3 145.2 25.1 17.8 49.9 213 618 A R - 0 0 138 1,-0.2 2,-0.6 -2,-0.2 20,-0.3 0.909 67.6-179.2 56.7 54.2 22.0 19.0 51.6 214 619 A V + 0 0 0 18,-2.4 21,-2.1 -3,-0.4 22,-0.2 -0.788 6.4 170.5 -86.5 120.1 19.9 20.4 48.8 215 620 A E + 0 0 35 -2,-0.6 2,-0.3 -32,-0.2 -1,-0.1 0.509 51.6 45.1-111.7 -7.7 16.7 21.7 50.4 216 621 A T S > S- 0 0 58 -33,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.987 70.7-124.5-144.3 151.2 14.9 23.6 47.6 217 622 A E H > S+ 0 0 138 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.792 111.2 62.0 -62.4 -28.6 14.0 23.3 43.9 218 623 A G H > S+ 0 0 26 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.977 104.8 44.2 -59.2 -57.1 15.8 26.6 43.4 219 624 A E H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.872 110.9 57.4 -54.6 -41.2 19.1 25.2 44.4 220 625 A L H X S+ 0 0 10 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.916 102.6 52.9 -58.1 -45.7 18.4 22.1 42.4 221 626 A Q H X S+ 0 0 56 -4,-2.0 4,-2.9 -3,-0.3 -1,-0.2 0.906 111.0 44.9 -60.4 -43.8 18.0 24.1 39.1 222 627 A V H X S+ 0 0 10 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.888 113.2 49.9 -73.1 -34.9 21.3 25.9 39.4 223 628 A I H X>S+ 0 0 3 -4,-2.1 5,-1.6 2,-0.2 4,-1.0 0.934 113.1 48.2 -61.5 -45.0 23.2 22.8 40.3 224 629 A R H ><5S+ 0 0 144 -4,-2.7 3,-0.7 -5,-0.2 -2,-0.2 0.936 113.1 47.4 -57.5 -50.5 21.5 21.1 37.4 225 630 A E H 3<5S+ 0 0 135 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.0 51.5 -64.2 -36.1 22.4 24.0 35.1 226 631 A X H 3<5S- 0 0 31 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.639 113.6-123.9 -76.4 -15.9 26.0 24.1 36.3 227 632 A G T <<5 + 0 0 53 -4,-1.0 -3,-0.2 -3,-0.7 2,-0.2 0.815 44.5 168.1 81.8 34.9 26.2 20.4 35.6 228 633 A L < - 0 0 8 -5,-1.6 -197,-0.3 1,-0.1 -1,-0.2 -0.495 36.4-128.2 -74.0 150.1 27.2 18.7 38.8 229 634 A Y S S+ 0 0 108 -20,-0.5 -198,-1.5 -2,-0.2 -197,-0.4 0.909 75.8 25.2 -66.4 -45.5 26.9 14.9 38.8 230 635 A G E -Bi 30 210A 0 -21,-2.2 -19,-2.5 -200,-0.3 2,-0.3 -0.807 51.7-169.2-135.4 159.4 24.9 14.3 42.0 231 636 A V E +Bi 29 211A 0 -202,-3.1 -202,-3.1 -2,-0.3 2,-0.3 -0.999 10.2 163.4-150.3 140.1 22.5 15.6 44.5 232 637 A Q + 0 0 6 -21,-2.1 -18,-2.4 -2,-0.3 2,-0.3 -0.972 22.2 108.0-150.7 158.6 21.1 14.7 47.9 233 638 A G S > S- 0 0 3 -206,-0.4 3,-1.7 -20,-0.3 -18,-0.2 -0.939 78.3 -56.7 156.1 179.8 19.2 16.5 50.6 234 639 A Q G > S+ 0 0 80 -2,-0.3 3,-0.6 1,-0.3 -19,-0.2 0.806 113.8 80.7 -61.3 -26.1 16.0 17.1 52.4 235 640 A L G 3 S+ 0 0 48 -21,-2.1 -1,-0.3 1,-0.3 -20,-0.1 0.534 87.9 57.5 -59.2 -9.2 14.4 17.9 49.1 236 641 A F G < S- 0 0 40 -3,-1.7 -1,-0.3 1,-0.5 -3,-0.1 -0.441 117.9 -92.0-121.1 55.4 14.1 14.2 48.4 237 642 A G < - 0 0 51 -3,-0.6 -1,-0.5 -211,-0.1 -4,-0.1 0.184 58.6 -56.0 62.6 175.7 12.0 13.0 51.3 238 643 A E - 0 0 82 1,-0.1 -213,-0.1 -3,-0.1 -4,-0.0 -0.491 60.3 -97.4 -84.3 159.7 13.3 11.7 54.6 239 644 A P - 0 0 26 0, 0.0 -213,-0.2 0, 0.0 -1,-0.1 -0.144 51.5-177.4 -63.7 174.3 15.7 8.8 54.9 240 645 A A - 0 0 37 -215,-0.3 -215,-1.9 -3,-0.1 3,-0.2 -0.955 31.6 -77.8-175.2 152.4 14.0 5.5 55.7 241 646 A P S S- 0 0 77 0, 0.0 2,-0.9 0, 0.0 -216,-0.1 0.026 77.3 -69.2 -44.8 169.8 14.3 1.8 56.4 242 647 A W 0 0 83 -219,-0.3 -218,-0.0 -218,-0.1 -219,-0.0 -0.572 360.0 360.0 -76.4 103.9 15.0 -0.2 53.4 243 648 A G 0 0 112 -2,-0.9 -3,-0.0 -3,-0.2 0, 0.0 -0.761 360.0 360.0-106.4 360.0 11.9 -0.2 51.3