==== 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 2D24 . 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) . 29286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 70.0 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 . 89 10.4 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 . 56 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 12.4 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 . 16 5 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 98 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 172.8 6.2 25.1 53.8 2 2 A E + 0 0 102 8,-0.1 299,-0.1 7,-0.0 298,-0.0 0.268 360.0 91.5-164.7 22.2 7.8 28.0 55.5 3 3 A S S S+ 0 0 87 5,-0.0 2,-0.3 0, 0.0 294,-0.1 0.517 89.0 51.9 -98.6 -8.6 9.3 27.1 58.9 4 4 A T S > S- 0 0 25 1,-0.1 4,-2.4 293,-0.1 5,-0.2 -0.905 85.7-119.7-125.8 155.5 12.7 26.4 57.4 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.916 111.4 48.6 -60.1 -47.0 15.0 28.5 55.2 6 6 A G H > S+ 0 0 2 31,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.947 113.9 45.3 -59.5 -50.8 15.0 26.0 52.3 7 7 A A H > S+ 0 0 25 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.894 112.2 51.9 -60.6 -42.3 11.3 25.5 52.2 8 8 A A H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.913 111.3 47.1 -61.7 -43.3 10.6 29.2 52.5 9 9 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-2.0 0.885 103.5 63.0 -65.3 -38.7 12.9 29.9 49.6 10 10 A A H ><5S+ 0 0 54 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.736 86.0 75.0 -59.2 -23.5 11.3 27.2 47.6 11 11 A Q T <<5S+ 0 0 93 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.770 104.7 36.4 -60.9 -26.3 8.0 29.1 47.7 12 12 A S T < 5S- 0 0 54 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.132 126.4 -97.7-112.2 18.7 9.5 31.5 45.1 13 13 A G T < 5S+ 0 0 71 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.597 89.2 115.6 78.0 12.1 11.4 28.8 43.2 14 14 A R < - 0 0 31 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.436 54.4-134.0-105.9-179.4 14.7 29.5 44.9 15 15 A Y E -a 262 0A 15 246,-0.8 248,-2.0 -2,-0.1 2,-0.4 -0.864 0.8-150.5-130.1 164.0 17.0 27.7 47.3 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.1 246,-0.2 24,-0.6 -0.949 31.5 171.3-136.4 113.6 18.8 28.4 50.5 17 17 A G E -ab 264 40A 0 246,-2.6 248,-2.4 -2,-0.4 2,-0.3 -0.553 19.6-152.9-118.8-177.0 22.0 26.5 51.0 18 18 A T E -ab 265 41A 0 22,-1.7 24,-1.8 246,-0.3 2,-0.5 -0.901 29.7 -99.5-146.2 172.5 25.1 26.2 53.1 19 19 A A E - b 0 42A 0 246,-0.7 2,-0.4 -2,-0.3 24,-0.2 -0.878 38.4-152.2 -98.6 128.9 28.7 25.1 52.9 20 20 A I E - b 0 43A 0 22,-2.8 24,-2.5 -2,-0.5 2,-0.6 -0.889 3.7-151.4-108.2 134.3 29.1 21.6 54.4 21 21 A A >> - 0 0 7 -2,-0.4 3,-2.0 22,-0.2 4,-0.7 -0.914 10.8-144.6-104.3 121.8 32.4 20.4 55.9 22 22 A S G >4 S+ 0 0 33 -2,-0.6 3,-0.9 1,-0.3 4,-0.2 0.843 99.0 60.4 -53.2 -37.2 33.0 16.7 55.6 23 23 A G G 34 S+ 0 0 74 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.687 104.9 49.9 -66.3 -17.2 34.6 16.5 59.0 24 24 A K G X4 S+ 0 0 62 -3,-2.0 3,-2.4 1,-0.2 7,-0.3 0.555 81.6 89.5 -98.4 -10.0 31.4 17.8 60.6 25 25 A L T << S+ 0 0 16 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.1 0.648 83.4 60.4 -62.7 -12.6 28.9 15.4 59.1 26 26 A G T 3 S+ 0 0 70 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.361 83.8 99.7 -94.1 6.5 29.5 13.0 62.0 27 27 A D <> - 0 0 60 -3,-2.4 4,-2.9 1,-0.2 5,-0.3 -0.838 61.7-157.6 -96.9 112.9 28.3 15.8 64.4 28 28 A S H > S+ 0 0 91 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.907 93.5 47.7 -55.2 -47.8 24.6 15.2 65.4 29 29 A A H > S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.917 115.0 47.2 -61.0 -43.8 24.0 18.9 66.3 30 30 A Y H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.957 114.6 43.6 -62.3 -55.0 25.6 20.0 63.0 31 31 A T H X S+ 0 0 27 -4,-2.9 4,-2.8 -7,-0.3 5,-0.3 0.816 107.7 60.2 -64.7 -31.5 23.7 17.6 60.7 32 32 A T H X S+ 0 0 69 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.942 112.5 38.4 -62.3 -45.5 20.4 18.1 62.5 33 33 A I H X S+ 0 0 8 -4,-1.5 4,-2.6 -5,-0.2 5,-0.3 0.951 118.2 49.1 -69.0 -48.5 20.5 21.8 61.6 34 34 A A H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.901 112.1 46.3 -59.2 -46.3 22.0 21.4 58.1 35 35 A S H < S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 117.5 44.9 -66.2 -36.1 19.6 18.7 57.0 36 36 A R H < S+ 0 0 102 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.889 118.9 35.5 -74.8 -43.0 16.6 20.6 58.3 37 37 A E H < S+ 0 0 1 -4,-2.6 -31,-2.3 -5,-0.1 2,-0.3 0.750 105.5 59.5 -89.2 -27.7 17.3 24.1 57.0 38 38 A F < - 0 0 5 -4,-1.6 -21,-0.2 -5,-0.3 3,-0.1 -0.825 38.3-178.1-114.6 147.5 19.0 24.0 53.7 39 39 A N S S+ 0 0 36 -23,-2.1 38,-2.0 -2,-0.3 2,-0.3 0.140 76.1 57.6-121.8 18.5 18.1 22.6 50.2 40 40 A M E -bc 17 77A 1 -24,-0.6 -22,-1.7 36,-0.3 2,-0.4 -0.985 66.2-164.4-146.2 138.2 21.4 23.4 48.5 41 41 A V E -bc 18 78A 0 36,-2.2 38,-2.7 -2,-0.3 2,-0.4 -0.977 10.9-173.0-131.7 141.3 24.9 22.3 49.4 42 42 A T E -bc 19 79A 0 -24,-1.8 -22,-2.8 -2,-0.4 2,-0.4 -0.995 32.0-121.4-127.4 133.1 28.4 23.4 48.5 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.643 18.4-143.9 -74.5 129.0 31.4 21.4 49.7 44 44 A E S S- 0 0 19 -24,-2.5 -1,-0.2 -2,-0.4 -23,-0.1 0.855 84.5 -21.3 -63.5 -34.9 33.5 23.8 51.8 45 45 A N S > S+ 0 0 59 -25,-0.4 3,-1.8 3,-0.1 6,-0.3 0.474 113.0 94.5-146.4 -21.9 36.8 22.3 50.6 46 46 A E T 3 S+ 0 0 19 1,-0.3 18,-0.4 17,-0.1 19,-0.1 0.597 90.2 44.0 -58.1 -18.2 36.2 18.8 49.4 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.0 0.217 87.6 112.4-113.6 15.6 35.7 19.6 45.7 48 48 A K S <> S- 0 0 12 -3,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.273 82.8 -96.5 -79.9 172.3 38.7 22.0 45.3 49 49 A I H > S+ 0 0 2 33,-0.3 4,-2.4 38,-0.3 40,-0.2 0.917 120.6 46.2 -58.4 -50.4 41.7 21.2 43.2 50 50 A D H 4 S+ 0 0 60 38,-1.3 -1,-0.2 1,-0.2 39,-0.1 0.824 115.1 48.9 -64.6 -30.2 44.1 20.0 45.9 51 51 A A H 4 S+ 0 0 30 -6,-0.3 -1,-0.2 37,-0.2 -2,-0.2 0.849 119.2 35.7 -77.8 -35.4 41.3 17.8 47.4 52 52 A T H < S+ 0 0 0 -4,-2.1 8,-2.4 1,-0.2 -2,-0.2 0.688 129.2 28.6 -93.2 -21.9 40.2 16.2 44.1 53 53 A E < + 0 0 2 -4,-2.4 -1,-0.2 6,-0.2 6,-0.2 -0.487 60.9 163.2-140.4 69.2 43.6 15.9 42.2 54 54 A P S S+ 0 0 41 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.750 78.7 29.2 -56.4 -29.3 46.4 15.5 44.8 55 55 A Q B > S-I 58 0B 107 3,-1.1 3,-3.1 -3,-0.1 2,-0.2 -0.993 106.1 -91.6-133.7 139.6 48.7 14.2 42.1 56 56 A R T 3 S+ 0 0 109 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.309 116.2 6.0 -55.2 114.2 48.5 15.1 38.4 57 57 A G T 3 S+ 0 0 46 -2,-0.2 2,-0.8 1,-0.1 -1,-0.3 0.290 107.2 105.9 94.7 -10.0 46.3 12.5 36.8 58 58 A Q B < -I 55 0B 123 -3,-3.1 -3,-1.1 -5,-0.1 2,-0.3 -0.873 54.8-166.5-107.3 101.7 45.4 10.9 40.2 59 59 A F - 0 0 72 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.2 -0.636 10.3-170.4 -92.3 145.7 41.9 11.8 41.2 60 60 A N + 0 0 75 -8,-2.4 4,-0.2 -2,-0.3 3,-0.1 -0.947 16.5 162.4-137.2 113.3 40.4 11.4 44.7 61 61 A F > + 0 0 27 -2,-0.4 4,-3.2 1,-0.1 5,-0.3 0.212 42.2 111.4-114.7 12.5 36.6 11.9 45.2 62 62 A S H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.945 87.3 34.0 -51.7 -57.1 36.2 10.1 48.5 63 63 A A H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 118.9 51.9 -68.3 -42.2 35.5 13.3 50.6 64 64 A G H > S+ 0 0 2 -18,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.922 110.0 49.0 -61.1 -45.0 33.7 15.1 47.8 65 65 A D H X S+ 0 0 42 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.811 105.9 58.5 -65.0 -31.0 31.4 12.1 47.2 66 66 A R H X S+ 0 0 133 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.929 111.2 40.4 -64.8 -44.1 30.6 11.9 50.9 67 67 A V H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.918 116.6 51.1 -69.2 -43.5 29.3 15.4 51.0 68 68 A Y H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.938 111.4 46.0 -58.6 -51.4 27.5 15.0 47.6 69 69 A N H X S+ 0 0 83 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.889 112.3 50.9 -61.8 -39.7 25.8 11.8 48.7 70 70 A W H X S+ 0 0 42 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.917 110.7 51.1 -63.2 -42.6 24.7 13.3 52.0 71 71 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 3,-0.6 0.969 114.1 40.4 -59.0 -57.5 23.3 16.3 50.1 72 72 A V H ><5S+ 0 0 67 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.897 112.9 55.5 -60.9 -41.6 21.2 14.3 47.6 73 73 A Q H 3<5S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 111.4 45.4 -62.3 -26.9 20.1 11.8 50.3 74 74 A N T <<5S- 0 0 69 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.167 126.3 -96.3-103.8 17.6 18.8 14.7 52.4 75 75 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.816 79.6 129.0 77.2 33.3 17.0 16.5 49.6 76 76 A K < - 0 0 15 -5,-2.6 -36,-0.3 -8,-0.1 -1,-0.2 -0.945 49.1-139.1-122.7 142.7 19.6 19.1 48.6 77 77 A Q E -c 40 0A 117 -38,-2.0 -36,-2.2 -2,-0.4 2,-0.4 -0.352 29.2-123.5 -82.8 175.8 21.1 20.0 45.2 78 78 A V E -c 41 0A 2 41,-0.3 43,-1.8 -38,-0.2 44,-1.1 -0.979 12.9-154.8-132.7 139.2 24.8 20.6 45.0 79 79 A R E -cd 42 122A 1 -38,-2.7 -36,-0.7 -2,-0.4 2,-0.5 -0.930 25.9-132.8-105.2 129.1 27.0 23.5 43.8 80 80 A G E - d 0 123A 0 42,-3.6 44,-3.2 -2,-0.5 2,-0.4 -0.729 20.3-143.8 -85.8 129.6 30.5 22.4 42.7 81 81 A H E - d 0 124A 3 -2,-0.5 -34,-0.5 1,-0.2 44,-0.1 -0.958 55.4 -14.5-141.1 115.2 33.3 24.6 44.1 82 82 A T E + 0 0 0 42,-0.6 -33,-0.3 -2,-0.4 -1,-0.2 0.673 40.1 166.3-148.5 150.2 35.6 25.1 42.4 83 83 A L E S+ 0 0 2 41,-2.0 2,-0.4 -3,-0.2 43,-0.2 0.876 80.0 21.1 -80.4 -42.9 37.4 23.9 39.2 84 84 A A E S+ d 0 126A 1 41,-2.0 43,-1.5 40,-0.4 2,-0.3 -0.939 76.2 113.5-138.4 117.3 40.0 26.5 38.2 85 85 A W - 0 0 9 -2,-0.4 43,-0.1 41,-0.2 -36,-0.1 -0.975 63.5-107.1-168.4 166.9 41.6 29.1 40.4 86 86 A H S S+ 0 0 60 41,-0.4 3,-0.5 -2,-0.3 2,-0.2 0.635 87.3 85.7 -78.4 -17.7 44.8 30.3 42.0 87 87 A S S S+ 0 0 38 1,-0.2 -38,-0.3 40,-0.2 -2,-0.1 -0.572 92.4 5.5 -93.8 153.6 44.1 29.2 45.5 88 88 A Q S S+ 0 0 73 -2,-0.2 -38,-1.3 1,-0.2 -1,-0.2 0.800 81.1 164.8 50.3 36.4 44.5 25.9 47.4 89 89 A Q - 0 0 10 -3,-0.5 -1,-0.2 -40,-0.2 -3,-0.0 -0.541 43.7-105.6 -79.0 146.8 46.2 24.4 44.4 90 90 A P >> - 0 0 10 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.368 36.9-103.6 -68.6 156.2 48.1 21.1 45.1 91 91 A G H 3> S+ 0 0 52 1,-0.3 4,-1.2 2,-0.2 -36,-0.1 0.846 119.0 56.7 -48.2 -42.4 51.8 21.5 45.2 92 92 A W H 34 S+ 0 0 48 -38,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.839 109.4 45.1 -62.4 -33.8 52.4 20.0 41.7 93 93 A M H X4 S+ 0 0 3 -3,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.857 103.3 64.0 -78.5 -34.7 50.0 22.5 40.1 94 94 A Q H 3< S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 104.3 48.0 -56.6 -33.4 51.5 25.5 41.9 95 95 A S T 3< S+ 0 0 93 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.471 93.8 98.7 -88.8 -2.3 54.9 24.9 40.2 96 96 A L < + 0 0 29 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.494 47.0 171.5 -85.9 157.0 53.4 24.5 36.7 97 97 A S >> + 0 0 78 -2,-0.2 4,-1.3 49,-0.0 3,-0.8 -0.950 38.2 4.7-154.2 170.0 53.3 27.3 34.1 98 98 A G H 3> S- 0 0 35 44,-0.3 4,-2.1 -2,-0.3 3,-0.4 -0.072 118.5 -10.6 53.5-145.2 52.5 28.0 30.4 99 99 A S H 3> S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.793 134.0 56.3 -58.1 -34.4 51.0 25.4 28.1 100 100 A T H <> S+ 0 0 56 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.902 109.3 46.3 -67.9 -38.9 51.6 22.5 30.5 101 101 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -2,-0.2 0.908 110.2 54.1 -67.5 -41.5 49.6 24.3 33.2 102 102 A R H X S+ 0 0 35 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.903 110.3 47.0 -58.9 -41.7 46.9 25.2 30.7 103 103 A Q H X S+ 0 0 93 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.888 111.3 50.7 -67.8 -39.6 46.6 21.5 29.8 104 104 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.883 108.7 53.0 -64.8 -38.6 46.5 20.5 33.5 105 105 A M H X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.951 112.4 44.2 -60.4 -50.2 43.7 23.0 34.0 106 106 A I H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.920 113.4 50.3 -60.8 -46.8 41.7 21.5 31.2 107 107 A D H X S+ 0 0 63 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.892 109.2 51.9 -60.6 -40.4 42.4 17.9 32.3 108 108 A H H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.926 109.4 49.4 -62.4 -44.8 41.3 18.8 35.9 109 109 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.4 0.939 113.2 46.4 -59.3 -48.5 38.1 20.2 34.7 110 110 A N H X S+ 0 0 70 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.890 113.6 49.0 -62.4 -41.0 37.3 17.2 32.5 111 111 A G H X S+ 0 0 23 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.943 117.6 37.5 -65.8 -49.2 38.2 14.7 35.3 112 112 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.948 119.9 44.8 -70.0 -50.7 36.2 16.3 38.1 113 113 A M H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.857 111.8 55.5 -62.9 -32.7 33.1 17.3 36.0 114 114 A G H >< S+ 0 0 40 -4,-1.6 3,-1.1 -5,-0.4 -1,-0.2 0.906 105.0 51.6 -65.5 -41.1 33.2 13.9 34.3 115 115 A H H 3< S+ 0 0 72 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 120.5 34.6 -62.5 -37.5 33.0 12.2 37.7 116 116 A Y T >< S+ 0 0 3 -4,-1.6 3,-2.5 -5,-0.1 4,-0.5 0.138 85.2 160.2-104.2 18.4 30.0 14.3 38.7 117 117 A K T < S- 0 0 125 -3,-1.1 -3,-0.1 1,-0.3 45,-0.1 -0.133 72.1 -0.8 -48.8 126.1 28.4 14.5 35.2 118 118 A G T 3 S+ 0 0 51 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.455 114.9 87.3 73.9 2.9 24.7 15.4 35.4 119 119 A K < + 0 0 114 -3,-2.5 2,-0.5 1,-0.0 -41,-0.3 0.411 68.7 81.7-112.2 0.5 24.7 15.5 39.2 120 120 A I - 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0 0 6 -4,-1.4 -21,-0.2 -5,-0.3 3,-0.1 -0.856 38.2-178.2-117.6 145.6 47.1 45.1 90.9 468 539 B N S S+ 0 0 43 -23,-1.9 38,-1.9 -2,-0.3 2,-0.3 0.178 77.0 57.2-118.9 15.4 48.6 45.6 94.4 469 540 B M E -ab 446 506I 1 -24,-0.6 -22,-1.7 36,-0.3 2,-0.4 -0.992 65.9-163.0-145.0 138.0 46.5 42.8 96.1 470 541 B V E -ab 447 507I 0 36,-2.4 38,-2.6 -2,-0.3 2,-0.4 -0.979 9.3-173.0-130.2 138.5 46.3 39.2 95.2 471 542 B T E -ab 448 508I 0 -24,-2.0 -22,-3.1 -2,-0.4 2,-0.4 -0.985 31.7-121.0-124.2 134.8 43.8 36.4 96.0 472 543 B A E -a 449 0I 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.653 18.3-145.3 -75.0 128.1 44.6 32.8 95.0 473 544 B E S S- 0 0 21 -24,-2.7 -1,-0.2 -2,-0.4 -23,-0.1 0.873 83.9 -21.3 -63.7 -36.9 41.7 31.7 92.8 474 545 B N S > S+ 0 0 60 -25,-0.4 3,-1.7 3,-0.1 6,-0.3 0.474 114.0 93.3-144.6 -21.7 41.7 28.1 94.1 475 546 B E T 3 S+ 0 0 17 1,-0.3 18,-0.5 17,-0.2 19,-0.1 0.556 90.1 44.5 -60.3 -15.8 45.1 27.4 95.6 476 547 B M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.267 87.9 112.2-113.7 11.9 44.3 28.2 99.2 477 548 B K S <> S- 0 0 12 -3,-1.7 4,-1.5 1,-0.1 5,-0.2 -0.247 84.3 -95.3 -76.8 170.8 40.9 26.4 99.3 478 549 B I H > S+ 0 0 2 33,-0.3 4,-2.1 38,-0.3 3,-0.3 0.901 121.1 47.0 -57.0 -49.1 40.5 23.3 101.5 479 550 B D H 4 S+ 0 0 62 38,-1.1 -1,-0.2 1,-0.2 39,-0.1 0.869 113.7 49.5 -64.1 -34.1 41.1 20.6 98.9 480 551 B A H 4 S+ 0 0 30 -6,-0.3 12,-0.3 1,-0.2 -1,-0.2 0.761 118.7 37.3 -75.9 -25.2 44.2 22.4 97.7 481 552 B T H < S+ 0 0 0 -4,-1.5 8,-2.2 -3,-0.3 -2,-0.2 0.629 128.2 27.7-103.0 -16.7 45.7 22.8 101.1 482 553 B E < + 0 0 2 -4,-2.1 -1,-0.2 6,-0.3 6,-0.2 -0.518 62.8 169.0-144.9 72.2 44.7 19.6 102.9 483 554 B P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.736 76.1 24.1 -55.3 -30.8 44.3 16.8 100.2 484 555 B Q B > S-H 487 0J 116 3,-1.0 3,-2.4 36,-0.1 2,-0.2 -0.957 107.9 -80.1-134.5 153.3 44.1 14.1 102.9 485 556 B R T 3 S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.336 117.3 0.9 -59.5 120.2 43.1 14.5 106.5 486 557 B G T 3 S+ 0 0 57 -2,-0.2 2,-0.7 1,-0.1 -1,-0.3 0.403 106.9 109.4 84.0 -3.4 46.0 15.9 108.5 487 558 B Q B < -H 484 0J 93 -3,-2.4 -3,-1.0 -5,-0.1 2,-0.2 -0.877 52.6-165.4-110.3 101.3 48.2 16.1 105.4 488 559 B F - 0 0 68 -2,-0.7 2,-0.3 -6,-0.2 -6,-0.3 -0.557 7.4-173.2 -87.6 150.0 48.8 19.7 104.5 489 560 B N + 0 0 68 -8,-2.2 4,-0.2 -2,-0.2 3,-0.1 -0.949 13.8 170.0-145.5 119.5 50.1 20.8 101.1 490 561 B F > + 0 0 29 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 0.234 46.6 108.2-116.8 14.3 51.1 24.4 100.2 491 562 B S H > S+ 0 0 56 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.946 87.3 40.6 -56.2 -51.1 52.9 24.0 96.9 492 563 B A H > S+ 0 0 16 -12,-0.3 4,-1.4 1,-0.2 3,-0.2 0.938 117.7 46.9 -63.8 -48.9 50.0 25.5 94.9 493 564 B G H > S+ 0 0 0 -18,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.877 111.2 52.1 -61.9 -38.4 49.2 28.2 97.4 494 565 B D H X S+ 0 0 42 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.804 101.3 60.3 -70.2 -28.5 52.9 29.2 97.8 495 566 B R H X S+ 0 0 140 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.925 112.7 39.5 -62.9 -41.6 53.3 29.5 94.0 496 567 B V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.932 116.7 49.5 -71.9 -46.8 50.7 32.3 94.1 497 568 B Y H X S+ 0 0 38 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.931 111.5 48.4 -58.5 -49.0 51.9 33.8 97.4 498 569 B N H X S+ 0 0 89 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.886 111.6 49.8 -60.5 -41.2 55.6 34.0 96.2 499 570 B W H X S+ 0 0 37 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.929 110.7 51.0 -63.6 -44.3 54.6 35.6 92.9 500 571 B A H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-0.5 0.953 114.2 41.3 -58.1 -53.7 52.4 38.1 94.7 501 572 B V H ><5S+ 0 0 62 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.878 110.9 56.9 -64.6 -37.6 55.2 39.2 97.2 502 573 B Q H 3<5S+ 0 0 166 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 111.6 45.0 -62.9 -27.8 57.8 39.2 94.5 503 574 B N T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.115 123.3-103.7-104.2 21.3 55.7 41.6 92.6 504 575 B G T < 5S+ 0 0 63 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.745 74.0 134.9 67.5 29.1 54.9 43.8 95.6 505 576 B K < - 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0 0 9 -3,-0.5 -1,-0.2 -40,-0.1 -3,-0.0 -0.539 42.0-108.3 -78.0 145.8 35.8 20.3 100.0 519 590 B P >> - 0 0 11 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.377 34.8-104.7 -69.5 157.2 38.1 17.3 99.5 520 591 B G H 3> S+ 0 0 47 1,-0.3 4,-1.4 2,-0.2 -36,-0.1 0.860 119.1 58.4 -50.1 -41.5 36.4 14.0 99.5 521 592 B W H 34 S+ 0 0 45 -38,-0.3 -1,-0.3 1,-0.2 -37,-0.1 0.810 110.1 43.0 -62.3 -29.5 37.6 13.1 103.0 522 593 B M H X4 S+ 0 0 3 -3,-1.3 3,-1.9 1,-0.2 -1,-0.2 0.825 105.0 61.9 -84.9 -32.5 35.9 16.2 104.5 523 594 B Q H 3< S+ 0 0 131 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.831 101.2 56.7 -59.5 -30.3 32.7 15.8 102.5 524 595 B S T 3< S+ 0 0 106 -4,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.496 93.0 95.0 -79.4 -5.3 32.3 12.5 104.3 525 596 B L < + 0 0 28 -3,-1.9 2,-0.3 4,-0.1 -3,-0.0 -0.590 43.5 162.0 -94.4 153.4 32.4 14.2 107.7 526 597 B S >> + 0 0 82 -2,-0.2 4,-1.2 49,-0.0 3,-0.8 -0.941 45.5 7.1-154.4 168.7 29.6 15.4 110.0 527 598 B G H 3> S- 0 0 30 44,-0.3 4,-2.3 -2,-0.3 3,-0.4 -0.077 120.9 -13.0 55.5-148.4 29.1 16.3 113.7 528 599 B S H 3> S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.812 134.3 58.3 -56.7 -35.1 31.9 16.6 116.1 529 600 B T H <> S+ 0 0 68 -3,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.917 110.0 43.3 -64.1 -41.9 34.4 14.8 113.8 530 601 B L H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.903 110.6 57.0 -68.7 -41.1 33.8 17.5 111.1 531 602 B R H X S+ 0 0 36 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.926 109.8 43.4 -56.8 -46.8 34.0 20.3 113.7 532 603 B Q H X S+ 0 0 91 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.878 112.1 53.6 -68.5 -35.5 37.4 19.2 114.9 533 604 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.878 107.5 52.0 -64.6 -37.1 38.6 18.7 111.3 534 605 B M H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.936 112.4 45.1 -63.0 -47.0 37.4 22.3 110.5 535 606 B I H X S+ 0 0 29 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.922 112.6 50.7 -62.1 -47.1 39.4 23.6 113.4 536 607 B D H X S+ 0 0 66 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.891 109.8 50.9 -59.6 -40.9 42.5 21.5 112.5 537 608 B H H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.929 109.3 49.9 -63.7 -45.7 42.3 22.8 109.0 538 609 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.4 0.950 112.6 47.2 -57.6 -49.9 42.2 26.4 110.1 539 610 B N H X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.888 113.0 49.2 -59.7 -41.1 45.1 26.0 112.4 540 611 B G H X S+ 0 0 23 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.936 116.1 39.1 -66.4 -48.3 47.2 24.2 109.8 541 612 B V H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.929 118.4 45.9 -70.5 -46.5 46.7 26.7 106.9 542 613 B M H < S+ 0 0 0 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.852 110.0 56.7 -66.1 -31.3 46.9 29.9 109.0 543 614 B G H >< S+ 0 0 41 -4,-1.6 3,-0.8 -5,-0.4 -1,-0.2 0.900 104.6 51.3 -65.3 -40.6 50.0 28.6 110.7 544 615 B H H 3< S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 121.0 33.8 -63.6 -37.5 51.8 28.1 107.5 545 616 B Y T >< S+ 0 0 3 -4,-1.5 3,-2.6 2,-0.0 4,-0.4 0.222 85.0 157.4-103.2 13.5 51.0 31.6 106.4 546 617 B K T < S+ 0 0 117 -3,-0.8 45,-0.1 -4,-0.3 -3,-0.1 -0.102 72.2 0.9 -47.0 124.3 51.2 33.2 109.9 547 618 B G T 3 S+ 0 0 51 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.436 115.0 85.3 77.4 2.4 51.9 37.0 109.7 548 619 B K < + 0 0 118 -3,-2.6 2,-0.5 -42,-0.0 -41,-0.3 0.408 69.2 83.0-114.3 1.6 52.0 37.1 105.9 549 620 B I - 0 0 7 -4,-0.4 46,-0.2 1,-0.1 -2,-0.2 -0.925 53.6-164.0-114.0 125.9 48.3 37.5 105.1 550 621 B A S S+ 0 0 24 -43,-1.7 45,-2.0 -2,-0.5 2,-0.3 0.916 80.7 7.7 -70.1 -45.0 46.5 40.8 105.1 551 622 B Q E -cd 508 595I 4 -44,-1.0 -42,-3.4 43,-0.2 2,-0.4 -0.999 63.9-158.1-141.3 139.9 43.0 39.4 105.1 552 623 B W E -cd 509 596I 0 43,-2.7 45,-3.2 -2,-0.3 2,-1.5 -0.974 17.7-141.5-119.5 129.9 41.6 35.9 105.5 553 624 B D E +cd 510 597I 0 -44,-3.1 -41,-2.0 -2,-0.4 -42,-0.6 -0.772 30.1 178.0 -85.0 93.7 38.2 34.8 104.3 554 625 B V E + 0 0 0 43,-1.7 -41,-1.6 -2,-1.5 2,-0.4 0.932 65.9 15.6 -66.2 -47.0 37.7 32.6 107.4 555 626 B V E S-cd 513 598I 0 42,-1.0 44,-2.7 -3,-0.2 2,-0.3 -0.988 72.8-177.4-130.9 139.1 34.2 31.5 106.5 556 627 B S E + d 0 599I 0 -43,-1.3 -41,-0.4 -2,-0.4 44,-0.2 -0.951 59.3 10.7-135.0 153.6 32.5 31.9 103.1 557 628 B H + 0 0 27 42,-1.5 43,-0.1 -2,-0.3 -42,-0.1 0.743 69.9 144.4 54.4 34.3 29.0 31.1 101.7 558 629 B A + 0 0 3 41,-0.3 10,-3.0 9,-0.1 2,-0.3 0.629 49.3 74.4 -79.2 -13.1 27.4 30.4 105.1 559 630 B F B S-I 567 0K 9 8,-0.3 8,-0.3 1,-0.1 2,-0.1 -0.710 77.9-114.4-106.8 156.1 24.0 31.9 104.2 560 631 B S - 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0 0 23 -3,-1.7 3,-1.9 -4,-0.4 -1,-0.3 -0.424 41.2 -98.7 139.5 145.7 25.9 23.4 115.1 577 648 B N T > S+ 0 0 96 1,-0.3 3,-0.6 -2,-0.2 4,-0.3 0.738 116.6 67.2 -60.9 -22.3 24.9 27.0 114.5 578 649 B D T 3> + 0 0 74 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.416 68.7 100.8 -79.9 2.9 28.1 28.1 116.4 579 650 B W H <> S+ 0 0 4 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.872 80.5 50.2 -58.2 -38.5 30.4 26.7 113.7 580 651 B I H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.942 110.9 48.7 -64.9 -46.6 31.1 30.2 112.2 581 652 B E H > S+ 0 0 37 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.913 111.8 49.7 -58.4 -45.0 31.9 31.7 115.6 582 653 B V H X S+ 0 0 30 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.889 107.7 54.5 -62.4 -39.7 34.2 28.8 116.4 583 654 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.927 111.5 44.4 -60.6 -45.4 36.0 29.2 113.1 584 655 B F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.905 112.1 50.4 -67.5 -42.1 36.7 32.9 113.8 585 656 B R H X S+ 0 0 115 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.912 112.8 48.5 -62.4 -39.3 37.8 32.3 117.4 586 657 B T H X S+ 0 0 20 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.925 111.1 50.5 -64.2 -45.2 40.2 29.6 116.1 587 658 B A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 105.7 54.4 -60.9 -45.6 41.5 32.0 113.3 588 659 B R H < S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.9 45.2 -56.6 -43.1 42.2 34.9 115.7 589 660 B A H < S+ 0 0 77 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.864 110.6 53.6 -69.5 -36.7 44.3 32.6 117.9 590 661 B A H < S+ 0 0 15 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.864 132.3 3.5 -67.4 -38.3 46.2 31.0 114.9 591 662 B D >< - 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