==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-FEB-06 2FWF . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.U.STIRNIMANN,A.ROZHKOVA,U.GRAUSCHOPF,R.A.BOECKMANN, . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 8.1 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 0.8 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 . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 0 1 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 428 A H 0 0 183 0, 0.0 45,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 132.5 19.3 0.5 1.8 2 429 A L - 0 0 21 1,-0.1 2,-1.0 39,-0.0 43,-0.0 -0.385 360.0-111.1 -65.8 161.3 18.1 0.1 5.4 3 430 A N - 0 0 152 -2,-0.0 56,-0.4 2,-0.0 2,-0.3 -0.813 45.1-179.5 -98.4 96.6 18.6 -3.3 7.0 4 431 A F - 0 0 36 -2,-1.0 2,-0.5 54,-0.1 56,-0.2 -0.680 26.4-136.6 -93.4 147.2 15.1 -4.7 7.4 5 432 A T E -a 60 0A 85 54,-2.4 56,-2.2 -2,-0.3 2,-0.3 -0.929 29.7-131.5 -99.0 125.1 14.1 -8.0 8.9 6 433 A Q E -a 61 0A 104 -2,-0.5 2,-0.3 54,-0.2 56,-0.2 -0.604 26.1-178.8 -82.7 137.6 11.3 -9.5 6.8 7 434 A I - 0 0 9 54,-2.5 56,-0.5 -2,-0.3 3,-0.1 -0.953 10.7-178.5-127.5 156.6 8.2 -10.9 8.3 8 435 A K + 0 0 60 -2,-0.3 2,-0.3 1,-0.2 66,-0.2 0.697 59.9 38.7-119.9 -36.4 5.3 -12.5 6.5 9 436 A T S > S- 0 0 25 1,-0.1 4,-2.5 65,-0.1 5,-0.2 -0.742 78.5-108.7-123.0 163.6 2.6 -13.4 8.9 10 437 A V H > S+ 0 0 31 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.921 120.2 53.1 -54.2 -43.6 0.9 -12.2 12.0 11 438 A D H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 108.7 49.7 -62.4 -40.4 2.6 -14.9 14.1 12 439 A E H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 109.3 51.4 -65.6 -40.9 6.0 -13.8 12.7 13 440 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.939 110.2 49.7 -60.2 -43.1 5.3 -10.2 13.6 14 441 A N H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 111.4 48.0 -66.0 -36.9 4.4 -11.1 17.1 15 442 A Q H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 109.8 53.3 -70.0 -34.7 7.6 -13.2 17.5 16 443 A A H X S+ 0 0 16 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.903 108.6 49.9 -65.5 -39.0 9.6 -10.3 16.1 17 444 A L H X S+ 0 0 18 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.919 107.9 53.8 -64.6 -38.3 8.1 -8.0 18.7 18 445 A V H >< S+ 0 0 79 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.936 111.6 45.4 -58.5 -46.8 8.9 -10.5 21.5 19 446 A E H 3< S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.3 49.6 -68.4 -26.6 12.5 -10.5 20.4 20 447 A A H >< S+ 0 0 8 -4,-1.8 3,-2.3 -5,-0.2 -1,-0.2 0.521 76.2 136.1 -90.1 -6.3 12.6 -6.7 20.1 21 448 A K T << + 0 0 113 -3,-0.9 71,-0.2 -4,-0.8 70,-0.1 -0.154 68.9 34.9 -48.3 126.2 11.1 -6.1 23.6 22 449 A G T 3 S+ 0 0 27 69,-2.9 -1,-0.3 1,-0.3 69,-0.2 0.217 111.8 70.8 106.7 -12.5 13.2 -3.3 25.2 23 450 A K S < S- 0 0 97 -3,-2.3 -1,-0.3 68,-0.3 70,-0.1 -0.983 86.6-106.6-133.3 147.2 13.8 -1.5 21.9 24 451 A P - 0 0 7 0, 0.0 34,-2.9 0, 0.0 2,-0.4 -0.370 34.9-147.3 -72.9 161.3 11.4 0.5 19.6 25 452 A V E -bC 58 89A 2 64,-2.7 64,-2.6 32,-0.2 2,-0.4 -0.944 13.3-161.4-131.4 144.4 10.3 -1.0 16.4 26 453 A M E -bC 59 88A 0 32,-2.6 34,-2.9 -2,-0.4 2,-0.6 -0.999 9.8-163.0-120.7 128.6 9.4 0.3 12.9 27 454 A L E -bC 60 87A 0 60,-2.8 60,-2.5 -2,-0.4 2,-0.5 -0.972 4.7-162.3-114.5 112.9 7.3 -1.9 10.6 28 455 A D E -bC 61 86A 5 32,-2.9 34,-2.5 -2,-0.6 2,-0.6 -0.832 7.8-150.3 -92.2 128.2 7.3 -0.9 6.9 29 456 A L E -bC 62 85A 0 56,-2.5 56,-0.9 -2,-0.5 2,-0.3 -0.911 28.3-175.9 -98.4 121.8 4.5 -2.3 4.7 30 457 A Y E +b 63 0A 17 32,-2.9 34,-2.8 -2,-0.6 35,-0.4 -0.884 22.2 177.5-123.8 143.5 6.0 -2.6 1.2 31 458 A A > - 0 0 0 -2,-0.3 3,-1.3 32,-0.2 7,-0.2 -0.989 30.8-134.7-144.8 145.4 4.9 -3.6 -2.3 32 459 A D T 3 S+ 0 0 92 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.794 107.3 50.2 -63.3 -29.5 6.9 -3.5 -5.5 33 460 A W T 3 S+ 0 0 154 -3,-0.1 2,-0.8 32,-0.1 -1,-0.3 0.472 84.5 100.2 -90.3 -3.9 4.0 -1.9 -7.4 34 461 A C X> - 0 0 13 -3,-1.3 4,-1.7 1,-0.2 3,-0.6 -0.713 58.0-160.6 -89.0 111.8 3.4 0.9 -4.8 35 462 A V H 3> S+ 0 0 99 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.912 89.3 56.1 -59.1 -40.1 5.1 4.0 -6.2 36 463 A A H 3> S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 103.7 55.3 -65.5 -29.0 5.2 5.8 -2.8 37 464 A C H <> S+ 0 0 4 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.924 109.5 46.5 -64.4 -40.0 7.1 2.8 -1.4 38 465 A K H X S+ 0 0 82 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.888 109.6 54.0 -69.4 -33.5 9.7 3.2 -4.1 39 466 A E H X>S+ 0 0 71 -4,-2.4 4,-2.7 2,-0.2 5,-0.6 0.904 105.1 54.1 -67.0 -37.8 9.8 6.9 -3.4 40 467 A F H X>S+ 0 0 2 -4,-2.2 5,-3.1 1,-0.2 4,-1.6 0.936 111.3 46.5 -56.6 -45.3 10.5 6.2 0.3 41 468 A E H <5S+ 0 0 44 -4,-2.0 -2,-0.2 3,-0.2 5,-0.2 0.912 117.1 42.8 -64.5 -38.6 13.4 4.1 -0.8 42 469 A K H <5S+ 0 0 136 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.903 130.8 16.4 -72.5 -43.8 14.7 6.7 -3.3 43 470 A Y H <5S+ 0 0 120 -4,-2.7 64,-0.4 -5,-0.2 -3,-0.2 0.695 131.7 25.1-108.5 -23.4 14.3 9.9 -1.3 44 471 A T T >< S- 0 0 56 -3,-1.6 4,-2.3 1,-0.1 3,-0.8 -0.712 71.9-139.4 -87.4 125.8 19.1 9.8 3.4 48 475 A P H 3> S+ 0 0 65 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.817 100.8 61.2 -52.5 -33.9 21.9 9.5 6.0 49 476 A Q H 3> S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.930 110.6 40.3 -58.0 -46.3 19.9 11.6 8.5 50 477 A V H <> S+ 0 0 0 -3,-0.8 4,-1.5 -6,-0.3 -1,-0.2 0.894 113.3 53.9 -69.3 -42.6 17.1 9.1 8.5 51 478 A Q H < S+ 0 0 68 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.905 113.2 42.6 -60.0 -41.8 19.4 6.1 8.5 52 479 A K H >< S+ 0 0 157 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.877 110.3 57.0 -71.7 -37.3 21.3 7.4 11.5 53 480 A A H 3< S+ 0 0 35 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 0.769 111.4 44.4 -62.4 -26.7 18.0 8.4 13.2 54 481 A L T >< S+ 0 0 3 -4,-1.5 3,-2.0 -3,-0.2 -1,-0.3 0.333 80.8 104.6 -97.9 1.2 16.8 4.7 12.9 55 482 A A T < S+ 0 0 79 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.803 85.8 42.0 -59.7 -28.3 20.1 3.1 14.0 56 483 A D T 3 S+ 0 0 65 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.164 98.7 89.6-105.5 18.9 18.7 2.1 17.4 57 484 A T S < S- 0 0 7 -3,-2.0 2,-0.5 -34,-0.1 -32,-0.2 -0.922 80.6-119.9-108.5 138.8 15.2 1.0 16.2 58 485 A V E - b 0 25A 33 -34,-2.9 -32,-2.6 -2,-0.4 2,-0.6 -0.689 31.8-147.2 -78.1 125.4 14.5 -2.6 15.1 59 486 A L E + b 0 26A 18 -2,-0.5 -54,-2.4 -56,-0.4 2,-0.3 -0.875 20.0 178.2-104.5 119.5 13.4 -2.4 11.5 60 487 A L E -ab 5 27A 3 -34,-2.9 -32,-2.9 -2,-0.6 2,-0.4 -0.868 6.4-166.8-114.0 149.8 10.8 -4.9 10.2 61 488 A Q E -ab 6 28A 16 -56,-2.2 -54,-2.5 -2,-0.3 2,-0.5 -0.997 10.9-161.2-140.3 135.1 9.3 -5.1 6.7 62 489 A A E - b 0 29A 1 -34,-2.5 -32,-2.9 -2,-0.4 2,-0.9 -0.981 13.2-151.8-110.9 122.1 6.3 -7.0 5.4 63 490 A N E + b 0 30A 64 -2,-0.5 3,-0.3 -56,-0.5 -32,-0.2 -0.835 21.1 171.2 -94.1 101.9 6.4 -7.3 1.6 64 491 A V > + 0 0 2 -34,-2.8 3,-1.4 -2,-0.9 -33,-0.2 0.150 34.1 124.5-102.8 20.3 2.7 -7.6 0.6 65 492 A T T 3 S+ 0 0 33 -35,-0.4 -1,-0.2 1,-0.3 -34,-0.1 0.832 75.4 46.4 -44.7 -46.2 3.3 -7.3 -3.2 66 493 A A T 3 S- 0 0 71 -3,-0.3 -1,-0.3 1,-0.0 -2,-0.1 0.734 93.5-141.6 -74.3 -23.1 1.5 -10.6 -3.9 67 494 A N < + 0 0 96 -3,-1.4 -2,-0.1 1,-0.1 -3,-0.1 0.881 41.8 167.2 56.0 43.8 -1.6 -9.8 -1.8 68 495 A D > - 0 0 53 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.122 53.2 -89.0 -81.7 178.0 -1.6 -13.5 -0.8 69 496 A A H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 128.3 47.6 -61.7 -35.9 -3.7 -14.9 2.1 70 497 A Q H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 112.1 50.9 -71.2 -38.8 -1.0 -14.3 4.7 71 498 A D H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.951 112.0 46.4 -57.8 -49.5 -0.5 -10.8 3.4 72 499 A V H X S+ 0 0 32 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.912 110.9 51.8 -63.9 -39.0 -4.2 -10.0 3.6 73 500 A A H X S+ 0 0 51 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.886 110.8 49.2 -64.1 -37.2 -4.5 -11.5 7.1 74 501 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -66,-0.2 -2,-0.2 0.942 110.6 48.9 -65.8 -46.8 -1.6 -9.4 8.3 75 502 A L H <>S+ 0 0 27 -4,-2.7 5,-2.7 1,-0.2 4,-0.4 0.928 113.9 47.3 -59.5 -40.7 -3.0 -6.2 6.8 76 503 A K H ><5S+ 0 0 151 -4,-2.6 3,-1.3 -5,-0.2 -1,-0.2 0.932 108.5 53.5 -65.2 -45.8 -6.4 -6.9 8.4 77 504 A H H 3<5S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.880 115.1 42.0 -55.7 -39.6 -4.9 -7.7 11.7 78 505 A L T 3<5S- 0 0 13 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.403 108.9-125.1 -86.4 0.8 -3.1 -4.3 11.7 79 506 A N T < 5 + 0 0 115 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.916 47.6 170.7 49.8 48.2 -6.2 -2.5 10.3 80 507 A V < - 0 0 18 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.705 20.0-170.3 -86.2 137.6 -4.1 -1.2 7.4 81 508 A L - 0 0 160 1,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.596 59.4 -30.0-110.1 -12.1 -6.2 0.5 4.7 82 509 A G S S- 0 0 39 -7,-0.1 -1,-0.4 2,-0.0 0, 0.0 -0.962 79.0 -44.8 178.2 175.9 -3.7 0.9 1.9 83 510 A L S S+ 0 0 40 -2,-0.3 2,-0.1 -3,-0.1 -47,-0.1 -0.840 96.7 46.9-108.0 149.0 -0.0 1.5 1.1 84 511 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -54,-0.1 0.538 73.4 153.4 -80.6 151.7 2.2 3.0 1.9 85 512 A T E -C 29 0A 4 -56,-0.9 -56,-2.5 -2,-0.1 2,-0.4 -0.971 20.0-173.1-142.0 135.3 1.8 2.4 5.7 86 513 A I E -CD 28 101A 0 15,-2.3 15,-2.2 -2,-0.3 2,-0.3 -0.999 10.2-160.6-126.2 127.3 4.6 2.5 8.3 87 514 A L E -C 27 0A 0 -60,-2.5 -60,-2.8 -2,-0.4 2,-0.4 -0.810 2.5-152.7-107.5 150.0 3.8 1.5 11.9 88 515 A F E -C 26 0A 6 -2,-0.3 8,-1.9 8,-0.3 2,-0.4 -0.985 8.5-172.6-125.0 133.5 5.7 2.3 15.1 89 516 A F E -CE 25 95A 16 -64,-2.6 -64,-2.7 -2,-0.4 6,-0.3 -0.958 20.1-129.6-121.7 143.1 5.9 0.3 18.3 90 517 A D > - 0 0 17 4,-2.7 3,-2.0 -2,-0.4 -67,-0.2 -0.161 41.0 -83.0 -82.8-176.2 7.5 1.4 21.5 91 518 A G T 3 S+ 0 0 12 1,-0.3 -69,-2.9 -69,-0.2 -68,-0.3 0.605 130.3 54.5 -64.1 -11.7 10.0 -0.5 23.6 92 519 A Q T 3 S- 0 0 127 -71,-0.2 -1,-0.3 2,-0.2 -71,-0.1 0.416 121.1-105.9-100.3 2.3 7.1 -2.4 25.3 93 520 A G S < S+ 0 0 19 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.635 72.1 143.4 90.1 5.0 5.7 -3.6 22.0 94 521 A Q - 0 0 116 1,-0.0 -4,-2.7 2,-0.0 -1,-0.3 -0.740 45.1-136.9 -88.3 127.4 2.8 -1.2 22.0 95 522 A E B -E 89 0A 52 -2,-0.5 -6,-0.2 -6,-0.3 -8,-0.0 -0.546 9.1-151.2 -76.8 142.3 1.7 0.3 18.7 96 523 A H > - 0 0 44 -8,-1.9 3,-2.0 -2,-0.2 -8,-0.3 -0.919 3.0-161.9-119.2 100.6 0.9 4.0 18.7 97 524 A P G > S+ 0 0 82 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.822 85.5 64.3 -54.6 -34.8 -1.6 4.8 16.0 98 525 A Q G 3 S+ 0 0 155 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.814 97.6 58.1 -63.3 -24.9 -1.0 8.5 15.9 99 526 A A G < S+ 0 0 13 -3,-2.0 -1,-0.3 -11,-0.2 -10,-0.1 0.493 77.3 122.8 -84.7 -3.6 2.6 7.7 14.6 100 527 A R < - 0 0 60 -3,-2.0 2,-0.5 -4,-0.3 -13,-0.2 -0.343 52.5-148.4 -60.5 139.4 1.4 5.8 11.6 101 528 A V B +D 86 0A 2 -15,-2.2 -15,-2.3 1,-0.1 4,-0.1 -0.940 22.8 170.1-109.1 125.8 2.7 7.2 8.3 102 529 A T + 0 0 100 -2,-0.5 2,-0.3 -17,-0.2 -1,-0.1 0.193 59.0 35.4-128.1 13.4 0.2 6.7 5.4 103 530 A G S S- 0 0 31 -17,-0.1 -17,-0.1 -67,-0.1 2,-0.0 -0.953 99.4 -65.8-148.8 174.2 1.7 8.8 2.6 104 531 A F - 0 0 78 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.1 -0.326 46.9-173.3 -57.9 143.9 5.1 9.7 1.3 105 532 A M - 0 0 42 -4,-0.1 -62,-0.1 4,-0.0 -4,-0.0 -0.991 18.3-131.5-132.0 137.9 7.3 11.8 3.5 106 533 A D > - 0 0 70 -2,-0.3 4,-3.0 -62,-0.1 5,-0.3 -0.083 38.8 -90.8 -78.3 179.4 10.6 13.3 2.5 107 534 A A H > S+ 0 0 9 -64,-0.4 4,-2.8 1,-0.2 5,-0.2 0.915 123.2 49.2 -66.2 -40.9 13.7 13.0 4.7 108 535 A E H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.955 116.3 42.8 -64.2 -44.5 13.2 16.2 6.7 109 536 A T H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 115.5 48.6 -68.8 -40.5 9.6 15.5 7.5 110 537 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.911 110.5 51.8 -66.0 -40.4 10.2 11.8 8.2 111 538 A S H X S+ 0 0 4 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.892 109.6 49.5 -60.5 -41.4 13.1 12.7 10.5 112 539 A A H X S+ 0 0 30 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.904 109.3 52.9 -64.9 -37.3 10.9 15.1 12.4 113 540 A H H < S+ 0 0 38 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.918 108.1 50.3 -63.2 -41.1 8.2 12.4 12.7 114 541 A L H >< S+ 0 0 6 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.922 106.9 54.4 -61.4 -43.0 10.8 10.0 14.2 115 542 A R H 3< S+ 0 0 178 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 102.5 59.5 -60.7 -31.6 11.8 12.7 16.7 116 543 A D T 3< S+ 0 0 140 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.463 81.5 113.0 -77.7 -6.1 8.2 13.0 17.8 117 544 A R S < S- 0 0 39 -3,-1.6 3,-0.1 -4,-0.3 -3,-0.0 -0.220 85.7 -79.4 -60.8 159.8 7.9 9.3 18.9 118 545 A Q - 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