==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-13 4J40 . COMPND 2 MOLECULE: FIMX; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.V.NAVARRO,N.DE,N.BAE,Q.WANG,H.SONDERMANN . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 3 3 0 1 0 5 1 0 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 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 . 2 4 0 0 0 1 1 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 . 2 0 0 0 0 0 0 0 2 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 1 437 A A 0 0 94 0, 0.0 494,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 137.9 19.2 23.3 41.3 2 438 A A - 0 0 32 495,-0.1 2,-0.3 491,-0.1 493,-0.1 0.643 360.0-163.2-116.5 161.6 20.1 21.3 39.5 3 439 A Q + 0 0 20 490,-0.2 490,-2.8 491,-0.2 2,-0.3 -0.742 23.6 136.1-107.8 142.1 19.3 21.5 35.8 4 440 A R + 0 0 107 -2,-0.3 486,-0.2 488,-0.3 2,-0.2 -0.951 12.2 138.1-165.4 162.3 19.5 18.9 33.1 5 441 A G - 0 0 8 484,-1.4 2,-1.3 -2,-0.3 486,-0.1 -0.634 56.7 -82.9 154.6 152.0 17.6 17.4 30.2 6 442 A D > - 0 0 52 -2,-0.2 4,-1.9 1,-0.2 3,-0.2 -0.632 42.9-173.0 -71.3 94.7 17.3 16.0 26.6 7 443 A V H > S+ 0 0 0 -2,-1.3 4,-2.6 463,-0.4 5,-0.2 0.858 77.4 60.9 -62.9 -38.9 17.2 19.4 24.9 8 444 A I H > S+ 0 0 17 462,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.927 108.0 45.7 -54.9 -46.8 16.5 17.9 21.4 9 445 A A H > S+ 0 0 40 461,-0.3 4,-0.7 2,-0.2 5,-0.2 0.942 109.9 54.0 -57.7 -51.3 13.3 16.4 22.8 10 446 A I H X S+ 0 0 13 -4,-1.9 4,-1.0 2,-0.2 3,-0.2 0.860 108.9 48.9 -53.9 -40.9 12.4 19.7 24.5 11 447 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.3 3,-0.4 0.916 112.5 46.8 -64.2 -45.3 12.7 21.5 21.2 12 448 A Q H < S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.549 116.2 47.6 -69.4 -8.7 10.5 18.8 19.6 13 449 A Q H < S+ 0 0 120 -4,-0.7 4,-0.5 -3,-0.2 -2,-0.3 0.511 112.2 48.3-106.7 -12.2 8.3 19.4 22.7 14 450 A A H X>S+ 0 0 0 -4,-1.0 5,-0.8 -3,-0.4 4,-0.8 0.697 94.0 74.7 -95.3 -23.3 8.4 23.2 22.3 15 451 A L T <5S+ 0 0 31 -4,-1.7 -1,-0.1 1,-0.2 -3,-0.1 0.353 112.9 20.6 -76.5 6.8 7.6 23.3 18.6 16 452 A E T 45S+ 0 0 115 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.441 121.7 53.2-149.8 -27.6 3.9 22.5 19.1 17 453 A T T 45S- 0 0 92 -4,-0.5 -2,-0.2 0, 0.0 -3,-0.1 0.524 102.7-136.6 -79.7 -10.1 3.1 23.4 22.7 18 454 A N T <5 + 0 0 82 -4,-0.8 -3,-0.2 1,-0.1 -4,-0.1 0.881 48.2 157.2 52.3 44.2 4.7 26.6 21.5 19 455 A S < + 0 0 47 -5,-0.8 26,-0.4 -6,-0.2 -4,-0.1 0.524 28.8 120.7 -75.5 -7.6 6.7 26.8 24.7 20 456 A F - 0 0 14 -6,-0.6 2,-0.6 24,-0.1 24,-0.2 -0.300 56.6-144.3 -58.1 138.2 9.2 29.1 23.1 21 457 A R E -A 43 0A 98 22,-2.8 22,-2.6 0, 0.0 2,-0.4 -0.938 9.7-149.2-110.7 116.7 9.6 32.5 24.7 22 458 A L E -A 42 0A 19 -2,-0.6 20,-0.2 20,-0.2 2,-0.2 -0.702 15.3-167.2 -87.0 127.2 10.3 35.4 22.3 23 459 A L E -A 41 0A 16 18,-2.3 18,-2.0 -2,-0.4 2,-0.4 -0.632 6.9-146.6-108.0 170.2 12.4 38.2 23.6 24 460 A F E -AB 40 243A 6 219,-2.2 219,-3.5 16,-0.2 16,-0.2 -0.990 10.2-173.0-142.7 130.1 13.1 41.8 22.3 25 461 A Q E -A 39 0A 11 14,-2.2 14,-2.3 -2,-0.4 216,-0.1 -0.976 29.7-124.7-125.3 118.0 16.1 44.0 22.4 26 462 A P E -A 38 0A 1 0, 0.0 2,-0.7 0, 0.0 210,-0.4 -0.302 9.0-145.7 -67.9 137.8 15.7 47.6 21.1 27 463 A V - 0 0 2 10,-4.3 10,-0.4 208,-0.1 2,-0.3 -0.906 21.6-146.9-100.8 107.4 17.9 49.0 18.4 28 464 A I E -C 234 0A 21 206,-1.6 206,-2.6 -2,-0.7 2,-0.4 -0.543 6.9-133.2 -78.7 134.6 18.4 52.7 19.2 29 465 A S E +C 233 0A 38 -2,-0.3 204,-0.2 204,-0.2 203,-0.1 -0.706 30.9 165.8 -85.6 136.1 18.8 55.1 16.3 30 466 A L S S- 0 0 43 202,-2.3 203,-0.2 -2,-0.4 -1,-0.2 0.615 89.1 -2.9-112.4 -31.3 21.5 57.7 16.5 31 467 A R S S+ 0 0 111 201,-2.0 202,-0.1 2,-0.1 201,-0.1 0.231 119.6 78.1-146.5 6.5 21.5 58.9 12.8 32 468 A G S S- 0 0 34 200,-0.8 -3,-0.1 1,-0.3 201,-0.1 0.050 89.1 -39.6-101.3-149.4 18.9 56.7 11.2 33 469 A D - 0 0 44 1,-0.1 -1,-0.3 -2,-0.0 -4,-0.1 -0.011 45.7-120.4 -65.8 175.6 15.1 56.6 11.1 34 470 A S S S+ 0 0 109 -3,-0.1 -1,-0.1 2,-0.1 216,-0.1 -0.143 71.6 129.5-107.3 34.0 12.8 57.4 14.0 35 471 A H - 0 0 38 1,-0.1 2,-0.5 55,-0.1 -6,-0.2 -0.218 69.9-107.7 -67.0 169.1 11.3 53.9 13.6 36 472 A E E - d 0 92A 28 55,-1.5 57,-2.9 -8,-0.1 2,-0.5 -0.936 41.5-163.2 -95.0 128.4 11.0 51.6 16.5 37 473 A N E + d 0 93A 1 -2,-0.5 -10,-4.3 -10,-0.4 2,-0.4 -0.954 12.5 175.1-122.5 120.6 13.6 48.9 16.0 38 474 A Y E -Ad 26 94A 2 55,-2.6 57,-3.1 -2,-0.5 2,-0.6 -0.942 23.4-149.4-121.8 144.0 13.7 45.5 17.8 39 475 A E E -Ad 25 95A 12 -14,-2.3 -14,-2.2 -2,-0.4 2,-0.4 -0.961 26.3-138.2-102.9 120.3 15.9 42.5 17.5 40 476 A V E -A 24 0A 5 55,-1.8 57,-0.4 -2,-0.6 -16,-0.2 -0.645 22.6-170.1 -81.5 132.7 13.9 39.4 18.4 41 477 A L E -A 23 0A 25 -18,-2.0 -18,-2.3 -2,-0.4 2,-0.4 -0.717 14.0-127.8-117.2 170.6 15.7 36.8 20.5 42 478 A L E +A 22 0A 26 -2,-0.2 2,-0.4 -20,-0.2 -20,-0.2 -0.971 20.4 178.9-130.5 124.8 14.8 33.2 21.6 43 479 A R E -A 21 0A 43 -22,-2.6 -22,-2.8 -2,-0.4 2,-0.4 -0.929 14.9-148.4-119.8 146.8 14.6 31.6 25.0 44 480 A L E -J 52 0B 0 8,-0.6 8,-1.8 -2,-0.4 2,-0.5 -0.952 3.1-150.7-119.0 131.0 13.6 28.0 25.8 45 481 A L E -J 51 0B 33 -2,-0.4 6,-0.2 -26,-0.4 5,-0.2 -0.873 15.9-136.6 -99.4 125.5 11.9 26.8 29.0 46 482 A N > - 0 0 6 4,-2.2 3,-1.4 -2,-0.5 -41,-0.1 -0.243 34.0-100.0 -68.9 168.3 12.6 23.3 30.1 47 483 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -42,-0.0 0.796 119.2 53.3 -67.3 -23.5 9.6 21.3 31.3 48 484 A Q T 3 S- 0 0 120 2,-0.1 2,-0.5 1,-0.0 -2,-0.0 0.213 121.1 -93.4 -98.2 13.9 10.2 21.8 35.0 49 485 A G S < S+ 0 0 44 -3,-1.4 -3,-0.1 1,-0.3 -1,-0.0 -0.658 86.6 95.2 124.1 -79.5 10.5 25.6 34.9 50 486 A Q S S- 0 0 112 -2,-0.5 -4,-2.2 -5,-0.2 2,-0.4 0.073 73.2-103.3 -55.8 161.2 13.9 27.2 34.5 51 487 A E E -J 45 0B 84 -6,-0.2 -6,-0.2 1,-0.0 -1,-0.1 -0.708 25.3-130.5 -93.3 137.4 15.4 28.3 31.1 52 488 A V E -J 44 0B 0 -8,-1.8 -8,-0.6 -2,-0.4 5,-0.1 -0.681 39.4 -92.2 -83.6 135.2 18.0 26.3 29.3 53 489 A P > - 0 0 25 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.103 29.2-129.9 -45.2 138.8 21.1 28.2 28.0 54 490 A P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.896 107.0 52.4 -63.6 -45.4 20.8 29.5 24.4 55 491 A A H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.938 109.9 53.6 -52.9 -48.6 24.2 28.1 23.2 56 492 A E H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 115.7 34.6 -46.5 -60.6 23.0 24.8 24.5 57 493 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.706 114.2 56.4 -81.2 -20.9 19.7 24.6 22.7 58 494 A L H X S+ 0 0 67 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.919 111.5 44.8 -70.6 -45.4 20.8 26.4 19.5 59 495 A H H X S+ 0 0 34 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.889 111.2 54.3 -62.9 -39.0 23.5 23.7 19.2 60 496 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 6,-0.2 0.926 107.1 51.5 -55.0 -47.4 20.8 21.2 20.0 61 497 A A H <>S+ 0 0 2 -4,-2.0 5,-2.3 1,-0.2 6,-1.0 0.888 110.3 47.5 -58.5 -43.9 18.8 22.6 17.2 62 498 A K H ><5S+ 0 0 54 -4,-2.1 3,-0.8 1,-0.2 378,-0.7 0.825 106.1 59.8 -67.8 -31.9 21.7 22.3 14.7 63 499 A E H 3<5S+ 0 0 9 -4,-2.0 379,-0.5 1,-0.2 -1,-0.2 0.751 114.2 33.9 -67.1 -25.8 22.4 18.7 15.8 64 500 A A T 3<5S- 0 0 32 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.054 110.7-107.1-123.7 24.4 19.0 17.4 14.9 65 501 A G T < 5S+ 0 0 44 -3,-0.8 4,-0.3 1,-0.1 -3,-0.2 0.757 83.9 124.3 57.1 27.8 18.1 19.5 11.8 66 502 A L >< + 0 0 14 -5,-2.3 4,-2.3 -6,-0.2 3,-0.3 0.566 40.6 97.3 -89.8 -11.3 15.6 21.5 13.8 67 503 A A H > S+ 0 0 10 -6,-1.0 4,-2.5 1,-0.2 -1,-0.1 0.870 84.9 40.6 -47.4 -56.2 17.2 24.8 12.9 68 504 A E H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.832 111.8 57.3 -68.6 -32.1 15.0 25.9 10.0 69 505 A K H > S+ 0 0 122 -3,-0.3 4,-1.9 -4,-0.3 -1,-0.2 0.943 111.1 43.7 -59.5 -48.0 11.8 24.7 11.8 70 506 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.916 110.8 54.4 -62.6 -47.0 12.7 27.0 14.7 71 507 A D H X S+ 0 0 19 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.911 109.8 48.2 -53.0 -44.7 13.6 29.8 12.3 72 508 A R H X S+ 0 0 64 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.853 109.1 52.9 -67.6 -36.1 10.1 29.4 10.7 73 509 A W H X S+ 0 0 30 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.964 112.3 45.2 -59.8 -52.6 8.4 29.4 14.1 74 510 A V H X S+ 0 0 10 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.920 112.7 50.7 -55.7 -50.1 10.2 32.6 15.0 75 511 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.938 112.4 48.1 -54.2 -51.0 9.4 34.2 11.6 76 512 A L H X S+ 0 0 88 -4,-2.6 4,-2.4 1,-0.2 3,-0.2 0.969 114.4 42.1 -53.1 -63.2 5.7 33.3 11.9 77 513 A N H X S+ 0 0 30 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.747 112.5 56.3 -63.5 -23.0 5.1 34.6 15.5 78 514 A S H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.914 106.3 49.4 -70.7 -45.2 7.2 37.7 14.7 79 515 A I H X S+ 0 0 5 -4,-2.4 4,-1.6 -3,-0.2 -2,-0.2 0.937 114.6 47.6 -53.2 -48.4 4.8 38.4 11.7 80 516 A K H >X S+ 0 0 113 -4,-2.4 4,-2.4 2,-0.2 3,-0.6 0.964 112.9 43.7 -58.9 -59.8 1.9 37.9 14.2 81 517 A L H 3X S+ 0 0 49 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.843 113.1 54.5 -57.6 -34.5 3.2 40.1 17.1 82 518 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.817 106.6 51.6 -70.4 -30.7 4.2 42.7 14.5 83 519 A A H S+ 0 0 29 -4,-1.7 5,-1.0 -5,-0.2 4,-0.7 0.885 115.7 46.2 -92.2 -45.7 1.9 45.9 17.5 86 522 A R H <5S+ 0 0 59 -4,-2.6 3,-0.4 1,-0.2 -3,-0.2 0.814 112.9 51.4 -68.8 -32.2 2.0 47.9 14.2 87 523 A A T <5S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.783 99.3 67.0 -72.4 -27.3 -1.8 47.9 13.9 88 524 A K T 45S- 0 0 155 -4,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.780 130.0 -89.0 -63.0 -28.3 -1.9 49.3 17.5 89 525 A G T <5S+ 0 0 65 -4,-0.7 -3,-0.2 1,-0.5 -2,-0.1 -0.009 92.5 114.4 143.7 -32.2 -0.3 52.5 16.2 90 526 A H < - 0 0 68 -5,-1.0 -1,-0.5 1,-0.1 2,-0.5 -0.253 54.6-146.6 -62.2 152.0 3.5 51.9 16.5 91 527 A Q + 0 0 107 -3,-0.1 -55,-1.5 -4,-0.0 2,-0.2 -0.804 37.6 165.7-120.5 88.9 5.5 51.7 13.3 92 528 A T E -d 36 0A 0 -2,-0.5 2,-0.4 -57,-0.2 -55,-0.2 -0.631 30.5-147.4-111.7 161.0 8.2 49.2 14.1 93 529 A K E -d 37 0A 16 -57,-2.9 -55,-2.6 -2,-0.2 2,-0.4 -0.946 14.2-146.6-120.9 146.4 10.9 47.0 12.4 94 530 A L E -de 38 126A 0 31,-1.6 33,-3.1 -2,-0.4 2,-0.8 -0.942 5.1-150.9-117.0 134.4 12.0 43.6 13.5 95 531 A F E -de 39 127A 1 -57,-3.1 -55,-1.8 -2,-0.4 2,-0.5 -0.896 23.7-171.4 -98.7 108.0 15.5 42.1 13.2 96 532 A V E - e 0 128A 0 31,-3.1 33,-3.0 -2,-0.8 2,-0.1 -0.882 19.0-125.9-108.2 127.7 15.0 38.3 12.8 97 533 A H E - e 0 129A 79 -2,-0.5 2,-0.4 -57,-0.4 33,-0.2 -0.422 19.0-160.4 -69.6 138.7 17.9 35.9 12.9 98 534 A L - 0 0 9 31,-2.3 33,-0.4 -2,-0.1 2,-0.1 -0.982 10.2-143.9-116.4 135.6 18.4 33.4 10.1 99 535 A S > - 0 0 20 -2,-0.4 4,-2.0 -32,-0.1 5,-0.1 -0.434 30.0-103.9 -88.0 168.0 20.5 30.3 10.5 100 536 A S H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 121.7 58.2 -56.7 -40.4 22.7 28.6 8.0 101 537 A A H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 108.2 43.3 -54.5 -53.8 20.0 26.0 7.5 102 538 A S H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.840 109.8 59.3 -61.4 -34.9 17.4 28.5 6.5 103 539 A L H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 108.9 43.6 -59.7 -43.4 20.0 30.2 4.3 104 540 A Q H < S+ 0 0 69 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.863 93.0 93.2 -73.6 -37.8 20.5 27.0 2.3 105 541 A D < - 0 0 48 -4,-2.0 3,-0.3 -5,-0.2 4,-0.2 -0.378 57.1-162.8 -62.3 129.7 16.8 26.2 2.0 106 542 A P S > S+ 0 0 110 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.631 83.8 66.5 -87.5 -19.0 15.2 27.5 -1.3 107 543 A G T 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.545 78.4 86.9 -79.4 -6.9 11.6 27.2 -0.2 108 544 A L H 3> S+ 0 0 5 -3,-0.3 4,-2.4 -6,-0.2 -1,-0.2 0.912 86.5 50.4 -58.6 -46.3 12.2 29.8 2.5 109 545 A L H <> S+ 0 0 38 -3,-0.5 4,-2.3 -4,-0.2 -1,-0.2 0.941 113.7 42.1 -61.0 -51.8 11.4 32.7 0.1 110 546 A P H > S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.969 116.1 48.6 -59.1 -52.8 8.0 31.3 -1.2 111 547 A W H X S+ 0 0 59 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.887 112.1 50.5 -52.6 -42.5 6.9 30.2 2.2 112 548 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.898 106.7 55.0 -61.7 -43.6 7.8 33.6 3.5 113 549 A G H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.934 110.0 45.2 -56.3 -48.7 5.8 35.2 0.7 114 550 A V H X S+ 0 0 96 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 113.0 50.7 -62.6 -40.6 2.7 33.3 1.7 115 551 A A H < S+ 0 0 10 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.835 112.1 48.8 -66.3 -32.6 3.2 34.1 5.4 116 552 A L H >X>S+ 0 0 19 -4,-2.2 3,-1.7 2,-0.2 5,-1.4 0.951 112.1 45.2 -70.9 -54.1 3.6 37.8 4.6 117 553 A K H ><5S+ 0 0 158 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.841 103.8 66.6 -60.1 -32.8 0.5 38.1 2.4 118 554 A A T 3<5S+ 0 0 89 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.657 115.4 27.3 -62.1 -16.5 -1.4 36.2 5.0 119 555 A A T <45S- 0 0 36 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.321 100.3-126.1-128.7 4.4 -1.0 39.1 7.4 120 556 A R T <<5 - 0 0 228 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.830 38.0-170.8 52.0 37.9 -0.6 42.1 5.0 121 557 A L < - 0 0 23 -5,-1.4 -1,-0.2 1,-0.1 4,-0.1 -0.442 26.5-104.9 -66.0 127.6 2.7 43.0 6.7 122 558 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.011 40.1 -90.0 -52.3 152.5 3.9 46.5 5.5 123 559 A P T 3 S+ 0 0 89 0, 0.0 31,-0.2 0, 0.0 30,-0.1 -0.346 110.8 15.7 -60.5 146.8 6.8 46.8 3.0 124 560 A E T 3 S+ 0 0 75 29,-2.9 30,-0.2 28,-0.1 29,-0.1 0.835 91.0 121.4 57.0 38.1 10.2 47.1 4.6 125 561 A S < + 0 0 1 -3,-0.8 -31,-1.6 28,-0.6 2,-0.4 0.619 59.3 59.0-104.8 -18.5 8.9 45.9 7.9 126 562 A L E -e 94 0A 2 27,-0.4 29,-3.1 -33,-0.2 2,-0.5 -0.937 58.8-166.6-119.1 136.3 11.1 42.8 8.4 127 563 A V E -ef 95 155A 0 -33,-3.1 -31,-3.1 -2,-0.4 2,-0.6 -0.976 11.9-150.8-121.8 118.8 14.9 42.7 8.6 128 564 A F E -ef 96 156A 3 27,-2.7 29,-2.4 -2,-0.5 2,-0.7 -0.796 10.7-155.2 -96.1 122.8 16.6 39.3 8.3 129 565 A Q E +ef 97 157A 6 -33,-3.0 -31,-2.3 -2,-0.6 2,-0.3 -0.843 16.7 172.6-107.7 111.3 19.9 39.0 10.1 130 566 A I E - f 0 158A 4 27,-2.6 29,-2.2 -2,-0.7 2,-0.1 -0.877 34.5-108.3-113.0 149.2 22.6 36.5 9.0 131 567 A S E > - 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