==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-04 1VBU . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR IHSANAWATI,T.KUMASAKA,T.KANEKO,S.NAKAMURA,N.TANAKA . 648 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 36 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 6 0 2 2 0 0 0 2 3 3 0 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 10 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 . 6 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 1 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 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 1 517 A V 0 0 82 0, 0.0 2,-0.1 0, 0.0 313,-0.0 0.000 360.0 360.0 360.0 131.8 -24.0 4.6 5.3 2 518 A S > - 0 0 7 1,-0.1 4,-1.7 35,-0.1 5,-0.2 -0.389 360.0-112.3 -83.5 165.1 -20.4 5.4 4.5 3 519 A L H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.914 117.5 51.2 -62.7 -42.9 -17.7 2.8 3.5 4 520 A R H > S+ 0 0 25 34,-0.9 4,-2.4 33,-0.3 -1,-0.2 0.858 105.7 55.0 -65.0 -34.9 -15.8 3.5 6.8 5 521 A E H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.911 111.9 44.0 -63.5 -41.2 -18.9 3.0 8.9 6 522 A L H X S+ 0 0 8 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.874 110.6 55.1 -70.4 -37.7 -19.4 -0.4 7.3 7 523 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.4 0.905 104.8 54.1 -61.8 -41.4 -15.7 -1.2 7.7 8 524 A E H ><5S+ 0 0 101 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.877 105.4 52.8 -60.5 -39.4 -15.9 -0.5 11.4 9 525 A K H 3<5S+ 0 0 136 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.785 113.6 43.3 -67.8 -26.5 -18.7 -3.0 11.8 10 526 A L T 3<5S- 0 0 3 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.317 113.1-121.9 -99.2 7.0 -16.6 -5.6 10.1 11 527 A N T < 5S+ 0 0 131 -3,-1.1 2,-0.3 -4,-0.2 -3,-0.2 0.871 74.8 108.9 51.6 46.6 -13.5 -4.6 12.1 12 528 A I < - 0 0 17 -5,-2.3 2,-0.4 -8,-0.1 262,-0.2 -0.859 65.8-114.9-136.7 170.9 -11.4 -3.8 9.0 13 529 A Y E -a 274 0A 93 260,-1.7 262,-2.3 -2,-0.3 2,-0.4 -0.879 19.4-168.0-113.1 146.0 -10.1 -0.6 7.5 14 530 A I E +a 275 0A 1 -2,-0.4 26,-2.1 260,-0.2 27,-0.5 -0.992 30.2 134.0-132.2 123.4 -11.0 0.9 4.1 15 531 A G E -a 276 0A 0 260,-1.9 262,-2.2 -2,-0.4 2,-0.3 -0.689 35.9-120.5-148.8-157.8 -9.0 3.7 2.7 16 532 A F E -ab 277 42A 1 25,-1.5 27,-2.1 260,-0.3 2,-0.5 -0.867 28.9 -98.7-149.5 176.8 -7.0 5.6 0.0 17 533 A A E - b 0 43A 1 260,-0.6 2,-0.5 -2,-0.3 263,-0.1 -0.931 39.6-133.1-107.4 126.7 -3.7 7.1 -1.1 18 534 A A E - b 0 44A 0 25,-2.6 27,-2.5 -2,-0.5 28,-0.5 -0.709 18.1-125.5 -88.3 124.1 -3.5 10.9 -0.5 19 535 A I > - 0 0 34 -2,-0.5 3,-1.2 25,-0.1 -1,-0.1 -0.179 41.4 -78.8 -63.2 154.1 -2.2 13.0 -3.4 20 536 A N T 3 S- 0 0 60 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 -0.263 111.6 -4.6 -54.2 138.1 0.7 15.4 -2.9 21 537 A N T > S+ 0 0 69 1,-0.1 3,-2.0 -3,-0.1 -1,-0.3 0.833 76.6 167.0 42.8 47.2 -0.3 18.7 -1.1 22 538 A F G X + 0 0 4 -3,-1.2 3,-1.0 1,-0.3 10,-0.2 0.775 68.7 66.6 -60.3 -24.9 -3.9 17.7 -1.1 23 539 A W G 3 S+ 0 0 79 1,-0.2 -1,-0.3 8,-0.1 -2,-0.1 0.613 104.6 42.5 -72.6 -12.8 -4.6 20.6 1.3 24 540 A S G < S+ 0 0 85 -3,-2.0 -1,-0.2 4,-0.1 -2,-0.2 0.229 82.5 127.0-118.1 12.6 -3.7 23.2 -1.3 25 541 A L S X S- 0 0 36 -3,-1.0 3,-1.8 -4,-0.2 4,-0.2 -0.301 74.1-114.2 -65.3 155.5 -5.5 21.7 -4.3 26 542 A S T 3 S+ 0 0 125 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.828 122.8 33.1 -60.6 -29.7 -7.8 24.1 -6.1 27 543 A D T 3> S+ 0 0 30 1,-0.1 4,-2.3 2,-0.1 3,-0.4 -0.100 79.7 132.9-116.1 33.2 -10.6 21.7 -5.0 28 544 A A H <> + 0 0 8 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.835 68.3 58.2 -52.2 -38.9 -9.0 20.7 -1.6 29 545 A E H > S+ 0 0 144 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 110.7 40.1 -60.9 -46.3 -12.2 21.3 0.3 30 546 A K H > S+ 0 0 100 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.893 115.3 52.6 -69.7 -40.3 -14.2 18.8 -1.8 31 547 A Y H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.930 112.6 44.0 -61.3 -47.2 -11.4 16.3 -1.9 32 548 A M H X S+ 0 0 24 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.836 110.7 54.9 -69.2 -33.8 -10.9 16.3 1.9 33 549 A E H X S+ 0 0 82 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.937 109.9 45.2 -66.7 -45.0 -14.6 16.2 2.6 34 550 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.931 113.4 52.6 -63.6 -42.2 -15.1 13.0 0.5 35 551 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.933 111.2 43.3 -58.9 -50.8 -12.0 11.5 2.0 36 552 A R H < S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 113.0 54.0 -68.5 -26.8 -13.1 12.0 5.7 37 553 A R H < S+ 0 0 95 -4,-1.7 -33,-0.3 -5,-0.2 -1,-0.2 0.892 121.0 26.9 -73.4 -38.6 -16.6 10.9 5.0 38 554 A E H < S+ 0 0 4 -4,-2.0 -34,-0.9 -5,-0.2 2,-0.3 0.766 110.1 59.8 -98.1 -29.0 -15.6 7.5 3.4 39 555 A F < - 0 0 0 -4,-2.3 -24,-0.2 -5,-0.3 3,-0.1 -0.759 35.6-177.2-116.8 155.3 -12.3 6.3 4.8 40 556 A N S S+ 0 0 7 -26,-2.1 38,-2.1 -2,-0.3 2,-0.3 0.142 76.0 54.1-127.6 18.5 -10.5 5.4 8.0 41 557 A I E - c 0 78A 0 -27,-0.5 -25,-1.5 36,-0.3 2,-0.4 -0.967 63.2-165.5-151.8 136.4 -7.0 4.6 6.8 42 558 A L E -bc 16 79A 0 36,-2.2 38,-2.9 -2,-0.3 -25,-0.2 -0.982 9.7-168.3-131.6 138.1 -4.6 6.9 4.7 43 559 A T E -b 17 0A 0 -27,-2.1 -25,-2.6 -2,-0.4 2,-0.4 -0.987 28.7-126.5-122.0 122.2 -1.4 6.3 2.8 44 560 A P E -b 18 0A 0 0, 0.0 4,-0.2 0, 0.0 -25,-0.1 -0.553 19.7-144.6 -66.7 125.0 0.6 9.3 1.6 45 561 A E S S- 0 0 26 -27,-2.5 -26,-0.1 -2,-0.4 -28,-0.0 0.912 79.8 -18.2 -59.5 -44.6 1.0 8.7 -2.1 46 562 A N S > S+ 0 0 33 -28,-0.5 3,-2.0 3,-0.1 6,-0.3 0.591 111.2 89.6-135.9 -23.2 4.5 10.2 -2.4 47 563 A Q T 3 S+ 0 0 11 1,-0.3 18,-0.5 5,-0.1 -2,-0.1 0.353 88.8 50.5 -73.1 9.9 5.4 12.5 0.5 48 564 A M T 3 S+ 0 0 1 34,-0.5 -1,-0.3 -4,-0.2 35,-0.1 0.336 90.0 109.4-115.7 -2.4 6.9 9.9 2.8 49 565 A K S X> S- 0 0 14 -3,-2.0 4,-2.5 1,-0.1 3,-1.2 -0.293 85.4 -99.2 -71.9 161.1 9.2 8.6 -0.0 50 566 A W H 3> S+ 0 0 5 33,-0.4 4,-2.7 1,-0.2 40,-0.1 0.851 115.8 54.1 -45.9 -55.7 12.9 9.2 -0.1 51 567 A D H 34 S+ 0 0 60 38,-0.9 -1,-0.2 1,-0.2 39,-0.1 0.718 118.1 36.6 -61.0 -21.1 13.2 12.2 -2.4 52 568 A T H <4 S+ 0 0 34 -3,-1.2 -2,-0.2 -6,-0.3 -1,-0.2 0.877 124.8 35.6 -94.9 -47.8 10.7 14.2 -0.4 53 569 A I H < S+ 0 0 0 -4,-2.5 8,-1.8 1,-0.2 -3,-0.2 0.704 131.9 26.6 -81.3 -20.6 11.5 13.2 3.2 54 570 A H < + 0 0 5 -4,-2.7 -1,-0.2 -5,-0.3 6,-0.2 -0.453 69.3 159.3-142.5 63.1 15.3 12.8 2.8 55 571 A P + 0 0 42 0, 0.0 38,-0.3 0, 0.0 2,-0.3 0.673 69.2 26.7 -60.6 -26.2 16.3 15.1 -0.1 56 572 A E B > S-I 59 0B 103 3,-0.9 3,-1.9 36,-0.1 332,-0.0 -0.958 91.9-102.5-137.3 155.2 20.0 15.4 0.9 57 573 A R T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.837 121.4 25.5 -46.1 -42.3 22.3 13.1 2.8 58 574 A D T 3 S+ 0 0 29 -3,-0.0 329,-2.8 2,-0.0 330,-0.6 0.104 108.0 88.4-113.6 22.6 22.1 15.1 6.0 59 575 A R E < -IJ 56 386B 89 -3,-1.9 -3,-0.9 327,-0.2 2,-0.4 -0.978 49.6-171.4-126.2 133.1 18.7 16.8 5.6 60 576 A Y E - J 0 385B 4 325,-1.9 325,-2.2 -2,-0.4 2,-0.6 -0.983 4.5-168.3-124.2 131.1 15.2 15.5 6.6 61 577 A N E + J 0 384B 40 -8,-1.8 4,-0.3 -2,-0.4 323,-0.2 -0.883 19.4 159.6-121.5 98.4 11.9 17.2 5.6 62 578 A F > + 0 0 2 321,-2.6 4,-2.6 -2,-0.6 5,-0.2 0.471 49.1 102.1 -93.1 -4.6 9.0 15.7 7.5 63 579 A T H > S+ 0 0 26 320,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.876 82.6 40.5 -48.6 -53.1 6.8 18.8 6.8 64 580 A P H >> S+ 0 0 17 0, 0.0 4,-1.2 0, 0.0 3,-0.7 0.951 116.2 50.1 -65.1 -47.3 4.6 17.4 4.0 65 581 A A H 3> S+ 0 0 0 -18,-0.5 4,-2.3 -4,-0.3 3,-0.2 0.849 104.5 59.0 -59.0 -35.7 4.2 14.0 5.7 66 582 A E H 3X S+ 0 0 21 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.852 101.5 54.7 -64.1 -32.3 3.2 15.6 9.0 67 583 A K H S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 3,-0.5 0.946 113.1 45.9 -57.1 -51.9 -5.6 11.4 9.3 73 589 A E H ><5S+ 0 0 97 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.885 110.9 52.5 -60.7 -40.5 -5.5 11.9 13.1 74 590 A E H 3<5S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.785 114.6 43.5 -67.6 -25.2 -8.0 14.8 13.0 75 591 A N T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.064 117.5-106.1-110.6 25.2 -10.4 12.6 11.0 76 592 A D T < 5S+ 0 0 119 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.841 73.7 137.5 55.8 41.6 -10.1 9.4 13.0 77 593 A M < - 0 0 10 -5,-2.9 -36,-0.3 -8,-0.1 2,-0.2 -0.895 49.5-133.2-115.1 144.6 -7.9 7.6 10.3 78 594 A I E -c 41 0A 32 -38,-2.1 -36,-2.2 -2,-0.4 2,-0.4 -0.600 28.5-119.0 -89.3 161.2 -4.9 5.4 11.0 79 595 A V E -c 42 0A 1 43,-0.4 45,-1.5 -2,-0.2 46,-1.4 -0.857 15.3-157.9-110.4 139.4 -1.8 6.0 8.8 80 596 A H E -d 125 0A 1 -38,-2.9 46,-0.2 -2,-0.4 2,-0.2 -0.962 21.3-138.9-113.5 112.9 -0.1 3.6 6.5 81 597 A G E -d 126 0A 0 44,-3.5 46,-1.9 -2,-0.6 2,-0.3 -0.512 14.5-141.0 -76.5 142.9 3.6 4.6 5.8 82 598 A H E -d 127 0A 4 1,-0.2 -34,-0.5 -2,-0.2 46,-0.1 -0.913 53.6 -18.2-155.8 116.7 5.0 4.3 2.2 83 599 A T E + 0 0 2 44,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.679 35.7 169.5-145.6 148.7 7.8 3.4 1.7 84 600 A L E S+ 0 0 1 43,-2.1 2,-0.4 1,-0.2 45,-0.2 0.866 85.9 27.6 -76.4 -39.4 11.1 2.9 3.4 85 601 A V E S+d 129 0A 2 43,-1.3 45,-2.4 42,-0.4 2,-0.3 -0.974 74.4 138.0-130.7 119.7 13.1 0.9 0.8 86 602 A W - 0 0 32 -2,-0.4 45,-0.1 43,-0.2 46,-0.1 -0.974 48.3-132.8-154.3 160.7 12.4 1.1 -2.9 87 603 A H S S+ 0 0 42 43,-0.3 3,-0.3 -2,-0.3 2,-0.2 0.601 81.0 75.3 -94.4 -15.2 14.3 1.3 -6.2 88 604 A N S S+ 0 0 74 1,-0.2 -2,-0.1 54,-0.0 54,-0.0 -0.654 92.8 14.9-100.9 158.9 12.4 4.2 -7.9 89 605 A Q S S+ 0 0 95 -2,-0.2 -38,-0.9 1,-0.2 -1,-0.2 0.863 76.6 163.2 51.5 45.7 12.5 7.9 -7.2 90 606 A L - 0 0 25 -3,-0.3 -1,-0.2 -40,-0.1 -3,-0.0 -0.687 40.7-103.9 -91.0 147.4 15.7 7.9 -5.2 91 607 A P >> - 0 0 12 0, 0.0 4,-2.1 0, 0.0 3,-1.9 -0.230 27.9-108.0 -68.2 159.4 17.5 11.2 -4.8 92 608 A G H 3> S+ 0 0 50 1,-0.3 4,-3.2 2,-0.2 5,-0.1 0.816 115.2 66.4 -57.3 -34.1 20.6 12.2 -6.6 93 609 A W H 34 S+ 0 0 37 -38,-0.3 -1,-0.3 1,-0.2 -37,-0.1 0.682 111.6 37.1 -65.0 -12.7 22.8 11.9 -3.6 94 610 A I H X4 S+ 0 0 1 -3,-1.9 3,-0.8 2,-0.1 -2,-0.2 0.846 124.8 36.0 -98.8 -53.2 22.0 8.2 -3.8 95 611 A T H 3< S+ 0 0 95 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.711 108.4 66.0 -75.2 -22.1 22.0 7.6 -7.5 96 612 A G T 3< S+ 0 0 67 -4,-3.2 2,-0.3 -5,-0.3 -1,-0.2 0.439 100.0 48.4 -83.3 0.5 24.8 10.0 -8.4 97 613 A R S < S- 0 0 89 -3,-0.8 2,-0.2 -5,-0.1 0, 0.0 -0.953 80.9-108.2-139.5 160.0 27.6 8.1 -6.7 98 614 A E - 0 0 180 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 -0.613 37.9-159.8 -84.9 144.7 29.1 4.7 -6.4 99 615 A W - 0 0 21 -2,-0.2 2,-0.3 44,-0.1 3,-0.0 -0.868 13.1-143.0-126.1 159.9 28.7 2.8 -3.1 100 616 A T > - 0 0 74 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.794 36.6-105.1-113.5 160.0 30.2 -0.0 -1.2 101 617 A K H > S+ 0 0 90 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.897 118.6 48.1 -51.6 -48.2 28.3 -2.5 0.9 102 618 A E H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 112.9 47.7 -62.4 -43.5 29.3 -1.0 4.3 103 619 A E H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.920 113.7 45.2 -65.4 -46.3 28.5 2.6 3.2 104 620 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.820 109.6 56.3 -69.6 -30.8 25.1 1.8 1.8 105 621 A L H X S+ 0 0 24 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.914 108.6 47.2 -65.4 -41.7 24.1 -0.3 4.7 106 622 A N H X S+ 0 0 77 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.888 112.0 50.9 -65.1 -39.5 24.8 2.6 7.1 107 623 A V H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.928 111.6 47.6 -62.2 -45.5 22.8 4.9 4.8 108 624 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.900 112.9 46.8 -64.2 -44.4 19.9 2.5 4.8 109 625 A E H X S+ 0 0 48 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.919 112.0 51.4 -64.9 -43.5 19.9 2.0 8.6 110 626 A D H X S+ 0 0 90 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.924 112.1 46.4 -59.4 -46.3 20.1 5.7 9.2 111 627 A H H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.964 114.8 45.6 -61.3 -53.9 17.2 6.5 6.9 112 628 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.909 115.5 45.0 -58.6 -47.0 14.9 3.7 8.4 113 629 A K H X S+ 0 0 67 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.909 115.0 48.2 -67.6 -38.4 15.6 4.5 12.0 114 630 A T H X S+ 0 0 30 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.956 117.4 39.9 -65.5 -50.9 15.3 8.3 11.6 115 631 A V H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.937 119.2 44.7 -65.1 -48.5 12.0 8.1 9.6 116 632 A V H < S+ 0 0 0 -4,-2.4 3,-0.3 -5,-0.3 4,-0.2 0.916 114.2 49.6 -64.8 -41.8 10.4 5.3 11.7 117 633 A S H >< S+ 0 0 65 -4,-2.2 3,-1.3 -5,-0.3 -1,-0.2 0.896 104.5 59.9 -63.9 -38.4 11.5 6.9 15.0 118 634 A H H 3< S+ 0 0 16 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 116.4 31.6 -57.8 -38.1 10.1 10.3 13.9 119 635 A F T >X S+ 0 0 0 -4,-1.3 3,-2.9 -3,-0.3 4,-1.2 0.166 85.0 157.9-106.9 17.7 6.6 8.9 13.5 120 636 A K T <4 S+ 0 0 108 -3,-1.3 44,-0.1 1,-0.3 -3,-0.1 -0.124 74.5 3.3 -46.0 128.2 6.8 6.2 16.3 121 637 A G T 34 S+ 0 0 36 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.344 120.2 77.7 75.8 -7.0 3.3 5.3 17.4 122 638 A R T <4 S+ 0 0 70 -3,-2.9 2,-0.6 1,-0.2 -43,-0.4 0.597 85.5 58.2-106.7 -18.7 1.6 7.5 14.9 123 639 A V < - 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