==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-05 2D1Z . COMPND 2 MOLECULE: ENDO-1,4-BETA-D-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR R.SUZUKI,A.KUNO,Z.FUJIMOTO,S.ITO,S.I.KAWAHARA,S.KANEKO,T.HAS . 854 4 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 53 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 4 0 2 0 0 2 4 0 5 1 0 0 2 0 2 0 0 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 . 15 7 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 6 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 1 A A 0 0 101 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 151.8 5.5 26.1 55.0 2 2 A E + 0 0 113 8,-0.1 299,-0.1 7,-0.0 298,-0.0 0.249 360.0 91.1-155.4 22.4 7.0 29.1 56.6 3 3 A S S S+ 0 0 87 298,-0.0 2,-0.3 5,-0.0 294,-0.1 0.533 88.0 50.2 -97.0 -9.5 8.5 28.3 60.0 4 4 A T S > S- 0 0 26 1,-0.1 4,-2.3 293,-0.1 5,-0.2 -0.903 84.9-117.3-127.3 158.2 12.0 27.4 58.7 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.928 110.7 47.4 -59.9 -51.7 14.4 29.3 56.4 6 6 A G H > S+ 0 0 2 31,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.932 115.0 45.7 -56.9 -49.1 14.5 26.8 53.5 7 7 A A H > S+ 0 0 26 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.875 111.8 52.4 -63.2 -38.6 10.7 26.4 53.4 8 8 A A H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.916 111.3 46.5 -65.2 -41.2 10.2 30.1 53.6 9 9 A A H ><>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.2 3,-1.9 0.875 103.9 63.3 -67.0 -36.7 12.6 30.6 50.7 10 10 A A H ><5S+ 0 0 52 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.727 84.8 75.6 -61.1 -22.7 10.8 27.8 48.7 11 11 A Q T <<5S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.766 104.8 36.6 -61.2 -24.1 7.6 29.9 48.7 12 12 A S T < 5S- 0 0 56 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.135 126.0 -98.2-113.2 17.9 9.2 32.0 46.0 13 13 A G T < 5S+ 0 0 73 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.639 88.5 118.5 76.7 14.6 11.1 29.2 44.3 14 14 A R < - 0 0 33 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.580 54.3-133.4-107.8 171.8 14.3 30.0 46.1 15 15 A Y E -a 262 0A 12 246,-1.1 248,-1.8 -2,-0.2 2,-0.4 -0.795 1.2-151.5-119.9 163.2 16.5 28.0 48.4 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.0 246,-0.2 24,-0.6 -0.956 32.4 171.7-134.1 113.9 18.2 28.9 51.7 17 17 A G E -ab 264 40A 0 246,-2.9 248,-2.6 -2,-0.4 2,-0.3 -0.560 20.6-154.6-119.0-177.0 21.4 26.9 52.2 18 18 A T E -ab 265 41A 0 22,-1.8 24,-1.7 246,-0.3 2,-0.5 -0.913 30.5 -98.0-147.6 171.4 24.4 26.5 54.4 19 19 A A E - b 0 42A 0 246,-0.7 2,-0.4 -2,-0.3 24,-0.2 -0.848 38.3-153.0 -95.6 130.9 27.9 25.1 54.3 20 20 A I E - b 0 43A 0 22,-2.8 24,-2.5 -2,-0.5 2,-0.5 -0.909 5.2-156.1-110.7 133.9 28.2 21.6 55.7 21 21 A A > - 0 0 8 -2,-0.4 3,-2.2 22,-0.2 4,-0.4 -0.938 12.3-145.6-108.4 123.1 31.4 20.2 57.3 22 22 A S G > S+ 0 0 22 -2,-0.5 3,-1.3 1,-0.3 4,-0.2 0.821 97.3 64.2 -55.5 -34.0 31.7 16.4 57.3 23 23 A G G 3 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.557 102.4 49.8 -69.2 -6.9 33.5 16.4 60.6 24 24 A K G X S+ 0 0 55 -3,-2.2 3,-2.0 1,-0.1 7,-0.3 0.423 80.1 94.3-109.6 -1.6 30.3 17.9 62.3 25 25 A L T < S+ 0 0 31 -3,-1.3 -2,-0.1 -4,-0.4 -1,-0.1 0.609 81.6 58.4 -67.7 -10.1 27.8 15.4 60.8 26 26 A G T 3 S+ 0 0 83 -4,-0.2 2,-0.8 -3,-0.2 -1,-0.3 0.381 83.8 96.7 -97.0 2.5 28.2 13.3 64.0 27 27 A D <> - 0 0 61 -3,-2.0 4,-2.6 1,-0.2 5,-0.3 -0.835 61.2-161.6 -95.4 104.7 27.1 16.2 66.1 28 28 A S H > S+ 0 0 84 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.846 90.0 52.8 -55.7 -39.6 23.3 15.8 66.8 29 29 A A H > S+ 0 0 53 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.913 112.0 47.3 -64.1 -39.9 22.8 19.4 67.7 30 30 A Y H > S+ 0 0 2 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.955 114.9 42.8 -65.4 -53.5 24.5 20.5 64.5 31 31 A T H X S+ 0 0 27 -4,-2.6 4,-2.7 -7,-0.3 5,-0.3 0.813 107.8 60.8 -67.0 -28.9 22.5 18.2 62.2 32 32 A T H X S+ 0 0 75 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.945 113.5 36.6 -62.8 -45.1 19.2 18.9 63.9 33 33 A I H X S+ 0 0 9 -4,-1.5 4,-2.6 -5,-0.2 5,-0.3 0.949 118.6 49.7 -70.6 -50.0 19.5 22.5 63.0 34 34 A A H X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.893 112.8 45.2 -58.2 -44.4 21.1 22.0 59.6 35 35 A S H < S+ 0 0 37 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.883 116.9 46.3 -69.0 -35.9 18.6 19.4 58.4 36 36 A R H < S+ 0 0 100 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.897 119.0 35.2 -72.5 -43.0 15.6 21.5 59.7 37 37 A E H < S+ 0 0 0 -4,-2.6 -31,-2.2 -5,-0.1 2,-0.4 0.681 106.7 60.5 -91.2 -20.4 16.5 24.9 58.4 38 38 A F < - 0 0 6 -4,-1.5 -21,-0.2 -5,-0.3 3,-0.1 -0.890 38.1-178.8-120.6 143.1 18.2 24.5 55.0 39 39 A N S S+ 0 0 37 -23,-2.0 38,-2.1 -2,-0.4 2,-0.3 0.098 76.8 58.4-118.1 20.6 17.3 23.0 51.6 40 40 A M E -bc 17 77A 2 -24,-0.6 -22,-1.8 36,-0.3 2,-0.4 -0.982 64.7-165.2-149.0 137.5 20.6 23.6 49.9 41 41 A V E -bc 18 78A 0 36,-2.3 38,-2.4 -2,-0.3 2,-0.4 -0.973 10.3-172.2-130.9 140.9 24.1 22.4 50.9 42 42 A T E -bc 19 79A 0 -24,-1.7 -22,-2.8 -2,-0.4 2,-0.5 -0.996 32.6-122.1-126.1 131.1 27.6 23.3 49.9 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.3 -2,-0.4 -22,-0.2 -0.644 19.4-144.6 -73.0 125.4 30.5 21.1 51.2 44 44 A E S S- 0 0 19 -24,-2.5 -1,-0.2 -2,-0.5 -23,-0.1 0.882 83.6 -21.0 -61.2 -37.3 32.7 23.6 53.1 45 45 A N S > S+ 0 0 64 -25,-0.4 3,-1.7 3,-0.1 6,-0.3 0.486 112.6 94.9-145.0 -18.4 35.9 21.9 52.0 46 46 A E T 3 S+ 0 0 19 1,-0.3 18,-0.5 17,-0.1 19,-0.1 0.552 90.5 43.7 -62.4 -13.0 35.1 18.3 50.9 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.3 -3,-0.0 0.251 87.3 112.9-116.1 11.8 34.8 19.0 47.2 48 48 A K S <> S- 0 0 12 -3,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.215 83.1 -96.3 -75.5 173.4 37.8 21.3 46.8 49 49 A I H > S+ 0 0 3 33,-0.3 4,-2.8 1,-0.2 40,-0.1 0.919 121.2 46.8 -59.1 -51.5 40.9 20.2 44.7 50 50 A D H 4 S+ 0 0 65 38,-0.9 -1,-0.2 1,-0.2 39,-0.1 0.824 115.2 48.9 -63.0 -30.9 43.1 18.9 47.5 51 51 A A H 4 S+ 0 0 30 -6,-0.3 12,-0.2 1,-0.1 -1,-0.2 0.816 119.9 35.1 -78.4 -31.5 40.2 16.9 49.0 52 52 A T H < S+ 0 0 0 -4,-1.9 8,-2.2 1,-0.2 -2,-0.2 0.695 131.3 27.2 -97.0 -22.1 39.1 15.3 45.7 53 53 A E < + 0 0 5 -4,-2.8 -1,-0.2 6,-0.3 6,-0.2 -0.510 65.2 162.6-139.0 66.8 42.5 14.8 44.0 54 54 A P S S+ 0 0 41 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.825 76.0 32.1 -54.4 -37.4 45.1 14.5 46.9 55 55 A Q B > S-I 58 0B 117 3,-1.1 3,-3.3 -3,-0.1 2,-0.1 -0.961 109.4 -87.4-123.1 142.5 47.6 12.9 44.5 56 56 A R T 3 S+ 0 0 124 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.263 116.7 1.8 -51.3 116.7 47.9 13.8 40.8 57 57 A G T 3 S+ 0 0 43 1,-0.1 2,-0.8 47,-0.1 -1,-0.3 0.383 106.9 110.8 84.8 -4.6 45.4 11.5 39.1 58 58 A Q B < -I 55 0B 119 -3,-3.3 -3,-1.1 -5,-0.1 2,-0.3 -0.836 51.8-166.4-108.1 96.1 44.3 10.0 42.3 59 59 A F - 0 0 72 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.3 -0.597 7.5-173.9 -85.3 140.5 40.7 11.0 43.0 60 60 A N + 0 0 81 -8,-2.2 4,-0.2 -2,-0.3 3,-0.1 -0.978 13.7 169.9-136.3 120.7 39.1 10.5 46.4 61 61 A F > + 0 0 28 -2,-0.4 4,-2.9 1,-0.1 5,-0.3 0.124 44.9 111.3-116.5 19.4 35.4 11.3 47.1 62 62 A S H > S+ 0 0 75 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.948 88.4 34.0 -59.0 -51.6 34.9 9.8 50.5 63 63 A A H > S+ 0 0 26 -12,-0.2 4,-1.9 2,-0.2 5,-0.2 0.926 119.6 51.1 -70.4 -45.8 34.4 13.1 52.3 64 64 A G H > S+ 0 0 0 -18,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.904 111.1 47.7 -58.7 -43.7 32.6 14.7 49.4 65 65 A D H X S+ 0 0 41 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.823 106.0 58.6 -68.5 -31.1 30.2 11.9 49.0 66 66 A R H X S+ 0 0 112 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.2 0.926 112.5 40.0 -64.2 -41.5 29.5 11.9 52.7 67 67 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 116.8 49.6 -71.8 -44.7 28.4 15.5 52.5 68 68 A Y H X S+ 0 0 31 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.940 113.0 46.5 -59.2 -49.1 26.6 14.9 49.2 69 69 A N H X S+ 0 0 81 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.909 110.6 51.9 -61.8 -42.4 24.7 11.9 50.5 70 70 A W H X S+ 0 0 38 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.925 111.5 49.8 -60.0 -42.4 23.7 13.7 53.7 71 71 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 3,-0.7 0.974 115.2 39.1 -60.7 -58.5 22.4 16.5 51.6 72 72 A V H ><5S+ 0 0 68 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.893 114.0 54.3 -62.4 -40.3 20.2 14.5 49.2 73 73 A Q H 3<5S+ 0 0 159 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.748 111.9 46.2 -66.1 -22.4 19.0 12.1 51.9 74 74 A N T <<5S- 0 0 62 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.193 125.9 -98.7-104.5 15.5 17.8 15.0 54.0 75 75 A G T < 5S+ 0 0 58 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.787 77.4 131.3 77.6 30.9 16.1 16.8 51.1 76 76 A K < - 0 0 16 -5,-2.8 -36,-0.3 -6,-0.1 -1,-0.2 -0.904 50.1-133.7-118.6 145.7 18.7 19.4 50.1 77 77 A Q E -c 40 0A 114 -38,-2.1 -36,-2.3 -2,-0.4 2,-0.4 -0.340 29.9-126.9 -80.3 173.3 20.1 20.3 46.7 78 78 A V E -c 41 0A 1 41,-0.3 43,-1.5 -38,-0.2 44,-1.2 -0.974 12.8-155.0-132.5 142.0 23.9 20.7 46.4 79 79 A R E -cd 42 122A 1 -38,-2.4 -36,-0.7 -2,-0.4 2,-0.3 -0.971 27.6-131.6-109.9 122.4 26.3 23.4 45.1 80 80 A G E - d 0 123A 0 42,-3.6 44,-2.7 -2,-0.5 2,-0.3 -0.587 23.7-141.2 -75.0 138.6 29.6 21.9 44.0 81 81 A H E - d 0 124A 6 -2,-0.3 -34,-0.5 1,-0.2 44,-0.1 -0.930 55.0 -14.3-151.6 115.8 32.6 23.8 45.5 82 82 A T E + 0 0 0 42,-0.6 -33,-0.3 -2,-0.3 -1,-0.2 0.653 42.5 167.4-140.9 142.8 35.1 24.3 43.9 83 83 A L E S+ 0 0 1 41,-2.2 2,-0.3 1,-0.2 43,-0.2 0.863 79.6 11.9 -77.2 -39.2 36.6 23.0 40.6 84 84 A A E S+ d 0 126A 2 41,-1.5 43,-1.0 40,-0.3 2,-0.3 -0.869 74.6 121.4-150.0 114.6 39.4 25.4 39.8 85 85 A W - 0 0 9 -2,-0.3 43,-0.1 41,-0.2 -36,-0.1 -0.976 59.0-108.4-161.1 165.2 41.1 28.1 41.8 86 86 A H S > S+ 0 0 49 41,-0.5 3,-0.6 -2,-0.3 2,-0.1 0.773 87.5 79.8 -71.1 -32.0 44.5 29.3 43.2 87 87 A S T 3 S+ 0 0 41 1,-0.2 -2,-0.2 41,-0.0 0, 0.0 -0.429 94.4 10.7 -85.2 156.6 43.9 28.5 46.9 88 88 A Q T 3 S+ 0 0 76 1,-0.2 -38,-0.9 -2,-0.1 -1,-0.2 0.769 81.0 164.1 52.5 31.1 44.1 25.3 48.9 89 89 A Q < - 0 0 12 -3,-0.6 -1,-0.2 -40,-0.1 5,-0.1 -0.529 45.3-102.2 -75.9 143.7 45.7 23.6 45.9 90 90 A P >> - 0 0 9 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.299 36.8-103.4 -63.5 154.1 47.3 20.2 46.7 91 91 A G H 3> S+ 0 0 52 1,-0.3 4,-1.1 2,-0.2 3,-0.2 0.865 120.0 55.4 -44.2 -47.6 51.1 20.4 47.0 92 92 A W H 34 S+ 0 0 45 -38,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.837 109.2 46.4 -58.7 -35.7 51.6 18.7 43.6 93 93 A M H X4 S+ 0 0 2 -3,-1.1 3,-1.1 1,-0.2 -1,-0.2 0.820 102.5 64.1 -77.4 -31.1 49.5 21.3 41.8 94 94 A Q H 3< S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 103.7 48.2 -61.9 -30.5 51.1 24.3 43.5 95 95 A S T 3< S+ 0 0 97 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.520 96.3 93.5 -89.1 -6.5 54.5 23.5 41.8 96 96 A L < + 0 0 32 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.0 -0.401 47.4 161.9 -85.0 164.2 53.0 23.1 38.4 97 97 A S >> + 0 0 57 -2,-0.1 4,-1.5 49,-0.0 3,-0.8 -0.959 37.5 18.9-165.4 176.3 52.8 25.8 35.7 98 98 A G H 3> S- 0 0 32 44,-0.3 4,-2.0 -2,-0.3 3,-0.3 -0.084 118.6 -13.9 53.6-146.2 52.3 26.4 32.0 99 99 A S H 3> S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.787 136.1 55.9 -59.8 -33.0 50.7 23.8 29.7 100 100 A T H <> S+ 0 0 60 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.897 109.5 46.1 -69.4 -38.8 51.1 21.0 32.3 101 101 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.879 110.5 54.5 -69.1 -37.9 49.1 23.0 34.9 102 102 A R H X S+ 0 0 36 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.911 111.1 44.2 -61.9 -43.0 46.5 23.8 32.3 103 103 A Q H X S+ 0 0 92 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.839 110.7 55.3 -70.8 -33.0 46.0 20.2 31.5 104 104 A A H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.894 106.5 51.5 -65.4 -40.2 46.0 19.3 35.2 105 105 A M H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.925 111.8 46.8 -61.4 -45.9 43.2 21.8 35.7 106 106 A I H X S+ 0 0 32 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.908 110.6 51.0 -63.8 -44.8 41.2 20.2 32.9 107 107 A D H X S+ 0 0 63 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.880 109.9 51.5 -61.8 -37.8 41.7 16.7 34.1 108 108 A H H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.945 108.9 49.4 -64.4 -48.8 40.6 17.7 37.6 109 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.928 113.1 47.3 -56.0 -47.9 37.4 19.3 36.3 110 110 A N H X S+ 0 0 69 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.895 112.5 49.7 -62.5 -40.9 36.5 16.2 34.2 111 111 A G H X S+ 0 0 23 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.938 116.4 38.5 -65.1 -48.7 37.2 13.8 37.1 112 112 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.944 118.8 45.2 -70.3 -49.7 35.2 15.5 39.8 113 113 A M H < S+ 0 0 0 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.874 110.5 56.4 -63.3 -34.7 32.2 16.6 37.6 114 114 A G H >< S+ 0 0 42 -4,-1.7 3,-0.8 -5,-0.4 -1,-0.2 0.909 105.2 51.8 -62.0 -40.1 32.2 13.1 36.1 115 115 A H H 3< S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 121.4 32.0 -64.1 -36.0 31.8 11.6 39.5 116 116 A Y T >X S+ 0 0 3 -4,-1.6 3,-2.4 2,-0.0 4,-0.5 0.191 85.7 159.7-107.0 15.4 28.8 13.9 40.3 117 117 A K T <4 S- 0 0 126 -3,-0.8 45,-0.1 -4,-0.4 -3,-0.1 -0.092 71.1 -0.8 -46.4 124.5 27.4 14.1 36.8 118 118 A G T 34 S+ 0 0 51 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.476 114.7 85.5 75.1 4.6 23.8 15.2 36.8 119 119 A K T <4 + 0 0 118 -3,-2.4 2,-0.5 1,-0.0 -41,-0.3 0.471 69.1 83.5-113.7 -4.2 23.4 15.4 40.6 120 120 A I < - 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0 0 33 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.603 57.1-129.2-114.2 174.2 44.0 51.3 99.8 444 515 B Y E -a 691 0J 17 246,-1.2 248,-1.7 -2,-0.2 2,-0.4 -0.762 3.4-150.5-118.4 164.8 45.0 48.4 97.7 445 516 B F E +a 692 0J 0 -2,-0.3 23,-2.0 246,-0.2 24,-0.7 -0.945 30.9 172.3-136.5 113.7 43.7 47.0 94.4 446 517 B G E -ab 693 469J 0 246,-2.9 248,-2.5 -2,-0.4 2,-0.3 -0.532 19.9-154.4-117.6-176.4 44.2 43.3 94.0 447 518 B T E -ab 694 470J 0 22,-1.6 24,-2.0 246,-0.3 2,-0.5 -0.918 29.8-100.3-148.1 170.6 43.3 40.3 91.8 448 519 B A E - b 0 471J 1 246,-0.8 2,-0.4 -2,-0.3 24,-0.2 -0.853 37.4-152.9 -96.7 132.4 43.0 36.6 92.1 449 520 B I E - b 0 472J 0 22,-3.0 24,-2.5 -2,-0.5 2,-0.6 -0.921 4.4-152.5-111.8 134.3 46.0 34.7 90.8 450 521 B A > - 0 0 10 -2,-0.4 3,-2.0 22,-0.2 4,-0.4 -0.926 10.3-146.4-105.5 121.1 45.9 31.2 89.3 451 522 B S G > S+ 0 0 20 -2,-0.6 3,-1.4 1,-0.3 4,-0.2 0.855 97.4 59.8 -53.4 -39.1 49.2 29.3 89.7 452 523 B G G 3 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.602 103.1 52.5 -68.5 -10.0 48.7 27.5 86.4 453 524 B K G X S+ 0 0 69 -3,-2.0 3,-2.0 1,-0.1 7,-0.3 0.431 78.4 94.7-103.8 -1.9 48.6 30.8 84.6 454 525 B L T < S+ 0 0 37 -3,-1.4 -1,-0.1 -4,-0.4 -2,-0.1 0.573 78.6 61.9 -68.3 -7.6 51.9 32.2 85.9 455 526 B G T 3 S+ 0 0 76 -3,-0.3 2,-0.9 -4,-0.2 -1,-0.3 0.416 80.6 97.6 -94.7 -0.4 53.7 30.8 82.9 456 527 B D <> - 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