==== 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 27-DEC-01 1IT0 . COMPND 2 MOLECULE: ENDO-1,4-BETA-D-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR Z.FUJIMOTO,A.KUNO,S.KANEKO,H.KOBAYASHI,I.KUSAKABE,H.MIZUNO . 854 4 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.2 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 . 57 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 3 1 5 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 9 3 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 . 19 4 6 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 99 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 153.7 5.5 27.0 55.5 2 2 A E + 0 0 106 8,-0.1 299,-0.1 6,-0.0 3,-0.0 0.204 360.0 92.1-166.1 27.3 7.1 29.8 57.4 3 3 A S S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 294,-0.1 0.549 90.3 47.8-100.2 -14.6 8.4 28.6 60.8 4 4 A T S > S- 0 0 30 1,-0.1 4,-1.9 293,-0.1 5,-0.2 -0.863 84.7-120.1-124.3 159.1 11.8 27.8 59.4 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.920 111.3 50.1 -64.6 -47.6 14.2 29.8 57.2 6 6 A G H > S+ 0 0 2 31,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.939 114.2 44.7 -56.7 -49.2 14.4 27.3 54.4 7 7 A A H > S+ 0 0 23 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.829 112.0 51.4 -65.6 -35.8 10.6 27.1 54.2 8 8 A A H < S+ 0 0 0 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.859 112.1 48.1 -70.6 -33.2 10.0 30.8 54.4 9 9 A A H ><>S+ 0 0 1 -4,-2.2 5,-2.3 1,-0.2 3,-1.4 0.873 104.7 59.2 -73.0 -36.8 12.5 31.3 51.6 10 10 A A H ><5S+ 0 0 50 -4,-2.1 3,-2.5 1,-0.3 -1,-0.2 0.801 88.5 74.7 -62.0 -30.0 10.8 28.6 49.5 11 11 A Q T 3<5S+ 0 0 88 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.785 104.8 37.1 -52.5 -31.4 7.6 30.6 49.6 12 12 A S T < 5S- 0 0 54 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.156 126.8 -99.1-108.1 17.6 9.2 33.0 47.1 13 13 A G T < 5S+ 0 0 68 -3,-2.5 -3,-0.2 1,-0.3 2,-0.1 0.597 88.7 114.8 78.4 12.2 11.0 30.2 45.2 14 14 A R < - 0 0 36 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.430 54.9-131.9-105.8-178.5 14.3 30.9 47.0 15 15 A Y E -a 262 0A 15 246,-0.9 248,-2.0 -2,-0.1 2,-0.4 -0.863 2.3-151.2-130.3 164.8 16.4 28.9 49.3 16 16 A F E +a 263 0A 0 -2,-0.3 23,-1.8 246,-0.2 24,-0.6 -0.922 31.1 167.5-138.5 109.5 18.2 29.5 52.6 17 17 A G E -ab 264 40A 0 246,-2.6 248,-2.5 -2,-0.4 2,-0.3 -0.505 20.1-153.1-117.3-175.1 21.3 27.4 53.2 18 18 A T E -ab 265 41A 0 22,-1.7 24,-1.9 246,-0.3 2,-0.5 -0.910 30.2 -96.3-148.1 173.3 24.4 27.0 55.3 19 19 A A E - b 0 42A 0 246,-0.7 2,-0.4 -2,-0.3 24,-0.2 -0.838 38.4-154.6 -97.5 133.8 27.9 25.7 55.2 20 20 A I E - b 0 43A 0 22,-3.1 24,-2.6 -2,-0.5 2,-0.6 -0.921 7.0-156.8-113.6 136.0 28.3 22.2 56.6 21 21 A A > - 0 0 12 -2,-0.4 3,-2.1 22,-0.2 4,-0.4 -0.958 13.3-146.0-110.6 121.0 31.5 20.7 58.1 22 22 A S G > S+ 0 0 25 -2,-0.6 3,-1.3 1,-0.3 4,-0.2 0.811 96.4 68.7 -55.1 -30.4 31.5 16.9 58.0 23 23 A G G 3 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.744 100.9 46.2 -62.0 -23.3 33.4 17.0 61.3 24 24 A K G X S+ 0 0 66 -3,-2.1 3,-2.0 1,-0.2 7,-0.3 0.466 79.2 98.8 -99.4 -1.8 30.3 18.2 63.1 25 25 A L T < S+ 0 0 34 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.544 81.3 59.1 -63.2 -4.0 27.8 15.8 61.6 26 26 A G T 3 S+ 0 0 75 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.643 81.5 95.5 -95.9 -19.3 28.2 13.8 64.7 27 27 A D <> - 0 0 63 -3,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.632 63.6-157.6 -75.5 112.7 27.1 16.6 67.0 28 28 A S H > S+ 0 0 86 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.830 91.6 52.0 -61.1 -35.9 23.4 16.1 67.6 29 29 A A H > S+ 0 0 49 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.875 110.0 51.3 -68.1 -37.1 22.7 19.8 68.4 30 30 A Y H > S+ 0 0 3 -6,-0.2 4,-2.5 1,-0.2 3,-0.4 0.980 113.4 41.1 -63.1 -58.5 24.4 20.8 65.2 31 31 A T H X S+ 0 0 27 -4,-2.2 4,-2.9 -7,-0.3 5,-0.3 0.797 107.1 62.7 -63.1 -31.8 22.4 18.5 62.9 32 32 A T H X S+ 0 0 69 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.930 112.2 37.2 -59.7 -44.6 19.1 19.1 64.6 33 33 A I H X S+ 0 0 8 -4,-1.4 4,-2.8 -3,-0.4 5,-0.3 0.946 118.3 49.4 -71.8 -49.8 19.3 22.8 63.6 34 34 A A H X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.876 111.6 47.0 -59.3 -42.5 20.9 22.3 60.2 35 35 A S H < S+ 0 0 44 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.849 119.3 41.7 -70.3 -31.1 18.4 19.6 59.0 36 36 A R H < S+ 0 0 108 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.877 119.5 36.8 -81.8 -43.1 15.4 21.7 60.2 37 37 A E H < S+ 0 0 0 -4,-2.8 -31,-2.4 -5,-0.1 2,-0.3 0.754 106.7 59.0 -87.3 -27.9 16.4 25.3 59.1 38 38 A F < - 0 0 5 -4,-1.3 -21,-0.2 -5,-0.3 3,-0.1 -0.826 39.1-178.6-114.8 148.1 18.1 25.0 55.8 39 39 A N S S+ 0 0 38 -23,-1.8 38,-1.8 -2,-0.3 2,-0.3 0.155 76.1 58.5-121.4 15.5 17.3 23.6 52.4 40 40 A M E -bc 17 77A 1 -24,-0.6 -22,-1.7 36,-0.3 2,-0.4 -0.993 65.5-164.4-144.0 140.0 20.6 24.3 50.7 41 41 A V E -bc 18 78A 0 36,-2.0 38,-2.5 -2,-0.3 2,-0.4 -0.986 10.8-170.9-134.5 140.3 24.1 23.1 51.7 42 42 A T E -bc 19 79A 0 -24,-1.9 -22,-3.1 -2,-0.4 2,-0.6 -0.991 30.9-122.9-124.8 132.5 27.7 24.0 50.9 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.3 -2,-0.4 -22,-0.2 -0.667 19.0-147.9 -75.4 120.2 30.6 21.8 52.0 44 44 A E S S- 0 0 26 -24,-2.6 -1,-0.2 -2,-0.6 -23,-0.1 0.860 82.1 -20.4 -58.6 -38.0 32.8 24.1 54.1 45 45 A N S > S+ 0 0 63 -25,-0.4 3,-2.2 3,-0.1 6,-0.3 0.519 112.7 92.7-141.8 -28.8 36.0 22.4 53.1 46 46 A E T 3 S+ 0 0 19 1,-0.3 18,-0.5 17,-0.1 17,-0.1 0.603 91.1 44.8 -51.6 -21.7 35.3 18.9 51.9 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.3 5,-0.0 0.255 85.7 116.8-110.7 13.5 35.1 19.8 48.2 48 48 A K S <> S- 0 0 14 -3,-2.2 4,-1.6 1,-0.1 3,-0.3 -0.194 80.4-100.2 -72.6 171.0 38.1 22.0 47.9 49 49 A I H > S+ 0 0 3 38,-0.2 4,-1.7 1,-0.2 3,-0.3 0.920 120.7 47.7 -60.4 -48.7 41.1 21.1 45.7 50 50 A D H 4 S+ 0 0 65 38,-1.1 -1,-0.2 1,-0.2 41,-0.1 0.739 114.3 49.3 -67.2 -22.1 43.4 19.8 48.4 51 51 A A H 4 S+ 0 0 33 -3,-0.3 12,-0.2 -6,-0.3 -1,-0.2 0.748 115.8 39.1 -89.2 -25.2 40.5 17.7 49.8 52 52 A T H < S+ 0 0 0 -4,-1.6 8,-1.8 -3,-0.3 -2,-0.2 0.614 129.5 25.6-100.0 -15.7 39.3 16.1 46.5 53 53 A E < + 0 0 2 -4,-1.7 -1,-0.2 6,-0.2 6,-0.2 -0.484 62.8 164.5-148.2 69.9 42.7 15.4 44.9 54 54 A P S S+ 0 0 69 0, 0.0 2,-0.4 0, 0.0 38,-0.4 0.858 77.2 32.9 -54.3 -41.1 45.4 15.1 47.6 55 55 A Q B > S-I 58 0B 97 3,-0.9 3,-3.3 -3,-0.1 0, 0.0 -0.962 109.1 -86.2-122.6 138.5 47.8 13.6 45.1 56 56 A R T 3 S- 0 0 92 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.137 114.5 -0.8 -44.2 118.1 48.0 14.4 41.4 57 57 A G T 3 S+ 0 0 48 1,-0.1 2,-0.8 47,-0.1 -1,-0.3 0.394 106.4 110.9 80.0 -4.8 45.4 12.3 39.6 58 58 A Q B < -I 55 0B 126 -3,-3.3 -3,-0.9 -5,-0.1 2,-0.2 -0.829 53.4-163.3-107.6 95.9 44.4 10.5 42.8 59 59 A F - 0 0 71 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.2 -0.554 10.1-172.9 -83.2 139.9 40.8 11.6 43.7 60 60 A N + 0 0 78 -8,-1.8 4,-0.2 -2,-0.2 3,-0.1 -0.966 12.1 169.9-133.7 115.4 39.3 11.1 47.1 61 61 A F > + 0 0 33 -2,-0.4 4,-3.0 1,-0.1 5,-0.3 0.207 43.3 112.5-110.7 15.2 35.6 11.9 47.7 62 62 A S H > S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.929 85.5 34.3 -52.9 -56.1 35.1 10.5 51.2 63 63 A A H > S+ 0 0 32 -12,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 119.4 51.7 -69.4 -41.8 34.5 13.8 53.0 64 64 A G H > S+ 0 0 1 -18,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.902 110.8 47.2 -61.5 -43.3 32.7 15.4 50.1 65 65 A D H X S+ 0 0 44 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.792 105.3 59.9 -69.8 -29.3 30.3 12.5 49.6 66 66 A R H X S+ 0 0 127 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.908 111.8 40.4 -65.2 -39.0 29.6 12.4 53.3 67 67 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.890 115.4 51.0 -74.8 -41.2 28.3 16.0 53.1 68 68 A Y H X S+ 0 0 28 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.927 111.9 46.9 -61.8 -46.5 26.5 15.4 49.8 69 69 A N H X S+ 0 0 83 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.905 111.7 50.0 -63.4 -43.2 24.7 12.4 51.1 70 70 A W H X S+ 0 0 40 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.928 111.7 50.5 -61.5 -43.6 23.6 14.0 54.3 71 71 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 3,-1.1 0.973 113.7 41.7 -57.4 -59.2 22.4 17.0 52.4 72 72 A V H ><5S+ 0 0 65 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.889 112.0 54.4 -58.0 -43.7 20.2 15.0 49.9 73 73 A Q H 3<5S+ 0 0 161 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.670 111.7 47.1 -65.8 -17.4 18.9 12.6 52.5 74 74 A N T <<5S- 0 0 63 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.163 124.4 -97.7-111.1 17.0 17.7 15.6 54.5 75 75 A G T < 5S+ 0 0 61 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.713 78.9 127.2 79.6 23.8 16.0 17.6 51.7 76 76 A K < - 0 0 13 -5,-2.5 -36,-0.3 -6,-0.2 -1,-0.2 -0.889 50.0-138.1-117.0 146.6 18.7 20.0 50.7 77 77 A Q E -c 40 0A 117 -38,-1.8 -36,-2.0 -2,-0.4 2,-0.4 -0.357 29.0-125.1 -83.3 175.3 20.3 20.8 47.3 78 78 A V E -c 41 0A 3 41,-0.3 43,-1.4 -38,-0.2 44,-1.1 -0.976 9.9-150.2-132.9 142.0 24.1 21.4 47.2 79 79 A R E -cd 42 122A 1 -38,-2.5 -36,-0.7 -2,-0.4 2,-0.5 -0.920 27.4-129.6-104.2 130.1 26.4 24.1 46.0 80 80 A G E - d 0 123A 0 42,-4.5 44,-2.9 -2,-0.5 2,-0.3 -0.708 23.5-147.1 -83.4 128.1 29.8 22.8 44.8 81 81 A H E - d 0 124A 3 -2,-0.5 -34,-0.5 1,-0.2 44,-0.1 -0.926 52.8 -11.5-145.3 114.3 32.7 24.7 46.4 82 82 A T E + 0 0 0 42,-0.5 -1,-0.2 -2,-0.3 43,-0.2 0.701 40.4 160.7-147.4 158.4 35.2 25.1 44.8 83 83 A L E S+ 0 0 2 41,-1.9 2,-0.5 1,-0.2 43,-0.2 0.877 81.7 26.5 -89.3 -43.3 37.0 24.0 41.6 84 84 A A E S+ d 0 126A 2 41,-2.0 43,-2.4 40,-0.4 2,-0.3 -0.974 72.9 142.3-128.3 120.3 39.7 26.6 40.7 85 85 A W E - d 0 127A 18 -2,-0.5 43,-0.1 41,-0.2 44,-0.1 -0.989 50.4-135.8-158.5 143.9 41.3 28.7 43.4 86 86 A H S S+ 0 0 51 41,-0.5 3,-0.4 -2,-0.3 2,-0.3 0.657 87.0 76.0 -74.0 -17.1 44.7 30.2 44.3 87 87 A S S S+ 0 0 44 1,-0.2 -38,-0.2 40,-0.1 -2,-0.1 -0.700 95.4 10.9-103.2 152.6 44.2 29.1 48.0 88 88 A Q S S+ 0 0 73 -2,-0.3 -38,-1.1 1,-0.2 -1,-0.2 0.835 79.3 166.2 56.4 38.4 44.4 25.8 49.7 89 89 A Q - 0 0 13 -3,-0.4 -1,-0.2 -40,-0.1 -3,-0.0 -0.520 42.8 -98.8 -80.4 151.3 46.0 24.1 46.7 90 90 A P > - 0 0 7 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.193 36.0-105.6 -63.1 164.5 47.6 20.6 47.2 91 91 A G H > S+ 0 0 53 -37,-0.2 4,-1.0 1,-0.2 3,-0.3 0.933 119.7 49.6 -57.3 -47.2 51.3 20.5 47.7 92 92 A W H 4 S+ 0 0 35 -38,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.862 106.9 53.8 -61.4 -39.9 51.9 19.1 44.2 93 93 A M H >4 S+ 0 0 4 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.841 102.1 58.5 -66.0 -33.0 49.7 21.7 42.4 94 94 A Q H 3< S+ 0 0 122 -4,-1.6 2,-0.9 1,-0.3 -1,-0.2 0.841 98.7 62.2 -64.4 -31.1 51.7 24.6 44.0 95 95 A S T 3< S+ 0 0 99 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.3 -0.325 93.9 85.9 -91.2 51.3 54.8 23.1 42.3 96 96 A L < + 0 0 35 -2,-0.9 2,-0.3 -3,-0.6 -3,-0.0 -0.977 45.7 166.2-147.5 158.8 53.4 23.6 38.8 97 97 A S >> + 0 0 68 -2,-0.3 4,-1.3 49,-0.0 3,-1.0 -0.938 42.7 21.0-159.5 177.7 53.3 26.3 36.1 98 98 A G H >> S- 0 0 35 -2,-0.3 4,-2.1 1,-0.2 3,-1.3 0.048 119.7 -20.6 50.3-160.5 52.5 27.0 32.5 99 99 A S H 3> S+ 0 0 101 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.703 134.5 66.9 -50.8 -22.4 50.5 24.6 30.3 100 100 A T H <> S+ 0 0 71 -3,-1.0 4,-2.0 2,-0.2 -1,-0.3 0.949 106.7 37.9 -65.4 -48.0 51.3 21.9 32.9 101 101 A L H < S+ 0 0 38 -4,-1.5 3,-1.0 -5,-0.3 -1,-0.2 0.934 106.1 49.9 -64.2 -43.4 32.5 13.9 36.7 115 115 A H H 3< S+ 0 0 72 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.882 121.3 33.7 -61.1 -41.1 32.0 12.3 40.1 116 116 A Y T >X S+ 0 0 2 -4,-1.7 3,-2.5 -5,-0.1 4,-0.6 0.164 85.0 157.7-102.0 16.8 29.1 14.6 41.0 117 117 A K T <4 S+ 0 0 130 -3,-1.0 45,-0.1 -4,-0.3 -3,-0.1 -0.116 72.9 0.1 -47.5 131.1 27.7 15.0 37.5 118 118 A G T 34 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.485 115.7 87.4 68.1 3.7 24.0 16.0 37.5 119 119 A K T <4 + 0 0 111 -3,-2.5 2,-0.5 1,-0.1 -41,-0.3 0.542 69.9 76.9-108.7 -10.6 24.0 16.1 41.3 120 120 A I < - 0 0 5 -4,-0.6 -2,-0.2 1,-0.1 46,-0.2 -0.902 56.5-162.1-108.5 126.3 25.1 19.6 42.0 121 121 A A S S+ 0 0 28 -43,-1.4 45,-2.3 -2,-0.5 2,-0.3 0.896 79.4 9.9 -69.2 -43.0 22.8 22.6 41.6 122 122 A Q E -de 79 166A 6 -44,-1.1 -42,-4.5 43,-0.2 2,-0.4 -0.996 63.8-157.6-140.4 145.0 25.6 25.3 41.5 123 123 A W E -de 80 167A 0 43,-2.6 45,-3.1 -2,-0.3 2,-1.5 -0.979 18.1-141.6-124.1 133.4 29.3 25.1 41.2 124 124 A D E +de 81 168A 0 -44,-2.9 -41,-1.9 -2,-0.4 -42,-0.5 -0.770 31.4 176.9 -88.6 88.6 31.7 27.9 42.3 125 125 A V E + 0 0 0 -2,-1.5 -41,-2.0 43,-1.4 2,-0.4 0.964 65.8 22.6 -60.6 -55.4 33.9 27.2 39.3 126 126 A V E S-de 84 169A 0 42,-1.0 44,-2.4 -3,-0.2 2,-0.4 -0.956 76.0-160.1-118.4 134.9 36.4 30.0 40.0 127 127 A N E -de 85 170A 1 -43,-2.4 -41,-0.5 -2,-0.4 44,-0.2 -0.935 60.2 -16.7-121.0 136.1 37.0 31.5 43.4 128 128 A E + 0 0 22 42,-2.1 -42,-0.2 -2,-0.4 -1,-0.2 0.866 68.3 157.3 41.3 63.6 38.5 34.9 44.4 129 129 A A + 0 0 4 41,-0.3 10,-2.6 -3,-0.1 2,-0.3 0.599 46.5 80.2 -89.7 -12.6 40.3 35.7 41.2 130 130 A F B S-J 138 0C 7 8,-0.3 8,-0.2 1,-0.1 2,-0.1 -0.669 77.5-111.2-102.5 155.7 40.5 39.5 41.7 131 131 A S - 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0 0 11 -3,-0.4 -1,-0.2 -40,-0.1 5,-0.1 -0.628 45.2-102.0 -86.7 148.5 37.2 19.8 102.6 519 590 B P >> - 0 0 9 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.311 35.4-108.5 -65.0 154.8 39.6 16.9 102.2 520 591 B G H 3> S+ 0 0 47 1,-0.3 4,-1.0 2,-0.2 3,-0.1 0.900 118.6 56.4 -51.8 -44.1 37.9 13.5 101.9 521 592 B W H 34 S+ 0 0 39 -38,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.803 108.4 47.2 -60.6 -29.8 39.2 12.4 105.3 522 593 B M H X4 S+ 0 0 4 -3,-1.1 3,-1.8 1,-0.2 -1,-0.2 0.833 102.7 61.4 -80.8 -33.5 37.6 15.5 107.0 523 594 B Q H 3< S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.754 100.7 57.8 -63.2 -22.2 34.2 15.0 105.2 524 595 B S T 3< S+ 0 0 105 -4,-1.0 -1,-0.3 -3,-0.1 2,-0.2 0.499 93.2 89.2 -85.4 -6.3 34.0 11.7 107.1 525 596 B L < + 0 0 31 -3,-1.8 2,-0.3 4,-0.1 -3,-0.0 -0.614 46.4 161.4 -96.5 154.7 34.3 13.3 110.5 526 597 B S >> + 0 0 87 -2,-0.2 4,-0.9 49,-0.0 3,-0.8 -0.939 44.0 19.1-156.2 171.3 31.6 14.5 112.8 527 598 B G H >> S- 0 0 34 44,-0.3 4,-2.0 -2,-0.3 3,-0.7 -0.159 120.7 -19.5 61.3-154.5 31.1 15.4 116.5 528 599 B S H 3> S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.764 133.9 62.4 -58.9 -29.8 34.1 16.1 118.8 529 600 B T H <> S+ 0 0 69 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.896 108.0 42.6 -63.3 -41.9 36.5 14.3 116.4 530 601 B L H < S+ 0 0 44 -4,-1.6 3,-0.8 -5,-0.3 -1,-0.2 0.902 106.8 48.9 -64.7 -38.8 51.9 28.0 112.6 544 615 B H H 3< S+ 0 0 58 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 121.2 34.6 -65.8 -42.6 53.5 27.7 109.2 545 616 B Y T >X S+ 0 0 0 -4,-1.8 3,-2.3 -5,-0.1 4,-0.7 0.117 84.2 154.2 -99.4 20.4 52.6 31.2 108.1 546 617 B K T <4 S- 0 0 117 -3,-0.8 45,-0.1 1,-0.3 -3,-0.1 -0.264 74.6 -0.3 -55.1 123.9 53.0 32.8 111.6 547 618 B G T 34 S+ 0 0 56 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.428 115.5 86.7 78.0 -1.3 53.8 36.5 111.3 548 619 B K T <4 S+ 0 0 89 -3,-2.3 2,-0.5 1,-0.0 -41,-0.3 0.534 71.6 77.8-105.9 -9.4 53.7 36.4 107.5 549 620 B I < - 0 0 7 -4,-0.7 -2,-0.2 1,-0.1 46,-0.2 -0.892 54.3-163.7-110.4 130.8 50.0 37.0 106.9 550 621 B A S S+ 0 0 25 -43,-1.8 45,-2.3 -2,-0.5 2,-0.3 0.933 79.5 8.3 -72.4 -48.4 48.1 40.3 107.1 551 622 B Q E -de 508 595J 5 -44,-1.1 -42,-4.1 43,-0.2 2,-0.4 -0.979 62.4-158.0-135.8 148.5 44.6 38.9 107.3 552 623 B W E -de 509 596J 0 43,-2.2 45,-2.8 -2,-0.3 2,-1.5 -0.990 18.6-140.8-126.7 131.3 43.1 35.5 107.6 553 624 B D E +de 510 597J 0 -44,-3.3 -41,-2.0 -2,-0.4 -42,-0.5 -0.783 31.8 177.0 -85.8 94.2 39.6 34.5 106.6 554 625 B V E + 0 0 0 43,-1.8 -41,-1.4 -2,-1.5 2,-0.4 0.963 66.1 21.7 -65.7 -53.5 39.3 32.2 109.7 555 626 B V E S-de 513 598J 0 42,-0.9 44,-2.3 -3,-0.2 2,-0.4 -0.948 75.5-162.6-117.7 139.0 35.7 31.2 109.1 556 627 B N E - e 0 599J 1 -43,-1.9 -41,-0.4 -2,-0.4 44,-0.2 -0.981 60.5 -15.5-127.8 132.3 34.1 31.3 105.6 557 628 B E + 0 0 23 42,-2.8 -42,-0.2 -2,-0.4 -1,-0.2 0.865 67.1 154.9 46.2 61.3 30.4 31.2 104.7 558 629 B A + 0 0 4 41,-0.2 10,-3.4 -3,-0.1 2,-0.3 0.595 48.6 82.9 -90.3 -12.0 28.8 30.0 107.9 559 630 B F B S-J 567 0L 9 8,-0.3 8,-0.3 1,-0.1 2,-0.1 -0.657 77.0-114.1 -98.9 153.8 25.4 31.5 107.3 560 631 B S - 0 0 20 6,-3.0 3,-0.3 -2,-0.3 5,-0.2 -0.377 2.2-148.7 -83.3 157.1 22.5 30.2 105.2 561 632 B D S S+ 0 0 76 1,-0.2 -1,-0.1 -2,-0.1 49,-0.1 0.277 75.0 99.1-103.9 7.4 20.9 31.6 102.1 562 633 B D S S- 0 0 111 4,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.565 99.3-109.0 -73.6 -7.7 17.4 30.3 102.9 563 634 B G S S+ 0 0 60 -3,-0.3 -2,-0.1 3,-0.1 -1,-0.1 0.545 94.4 106.3 92.4 7.8 16.3 33.7 104.1 564 635 B S S S- 0 0 78 2,-0.1 3,-0.1 3,-0.0 -3,-0.1 0.730 80.0-131.5 -89.5 -24.7 16.1 32.7 107.8 565 636 B G + 0 0 14 1,-0.3 2,-0.1 -5,-0.2 -4,-0.1 0.636 66.8 121.6 81.6 14.3 19.3 34.6 108.8 566 637 B G - 0 0 24 1,-0.2 -6,-3.0 -7,-0.0 -1,-0.3 -0.358 68.4 -64.7-102.8-176.4 20.5 31.5 110.6 567 638 B R B -J 559 0L 56 -8,-0.3 -8,-0.3 -2,-0.1 2,-0.2 -0.331 49.0-112.9 -69.8 147.3 23.5 29.2 110.4 568 639 B R - 0 0 48 -10,-3.4 2,-0.6 -8,-0.1 5,-0.2 -0.577 33.2-115.5 -77.8 140.1 24.2 27.0 107.4 569 640 B D + 0 0 114 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.705 58.9 134.3 -81.9 120.5 23.8 23.3 108.1 570 641 B S S > S- 0 0 10 -2,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.948 71.2 -92.8-154.9 169.9 27.2 21.6 107.8 571 642 B N T 4 S+ 0 0 22 -2,-0.3 -44,-0.3 1,-0.2 4,-0.3 0.883 125.5 52.5 -58.8 -35.8 29.3 19.0 109.6 572 643 B L T >4 S+ 0 0 3 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.928 107.8 48.7 -65.6 -45.5 31.1 22.0 111.4 573 644 B Q G >4 S+ 0 0 32 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.829 105.2 61.3 -64.9 -29.4 27.8 23.6 112.6 574 645 B R G 3< S+ 0 0 157 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.551 89.5 69.0 -75.4 -5.6 26.7 20.2 113.9 575 646 B T G < S- 0 0 29 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.685 125.6 -62.0 -82.5 -16.5 29.7 20.1 116.3 576 647 B G X - 0 0 22 -3,-1.2 3,-2.1 -4,-0.4 -1,-0.3 -0.441 42.9 -97.9 140.7 143.9 28.0 22.9 118.2 577 648 B N T > S+ 0 0 98 1,-0.3 3,-0.6 -2,-0.2 4,-0.3 0.718 116.9 66.1 -57.4 -22.7 26.9 26.5 117.7 578 649 B D T 3> + 0 0 76 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.406 68.6 102.2 -83.2 4.8 30.1 27.6 119.3 579 650 B W H <> S+ 0 0 5 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.836 79.7 51.2 -58.1 -35.0 32.4 26.3 116.5 580 651 B I H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.922 110.7 48.0 -68.0 -43.9 32.9 29.7 115.0 581 652 B E H > S+ 0 0 37 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.912 111.5 50.2 -61.6 -45.8 33.9 31.2 118.3 582 653 B V H X S+ 0 0 29 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.886 107.1 55.0 -62.0 -39.0 36.3 28.4 119.0 583 654 B A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.8 44.3 -61.5 -41.9 37.9 28.8 115.6 584 655 B F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.925 112.2 49.1 -70.0 -45.4 38.6 32.5 116.3 585 656 B R H X S+ 0 0 107 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.908 112.9 50.7 -59.9 -39.8 39.9 32.0 119.8 586 657 B T H X S+ 0 0 21 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.925 110.0 49.0 -62.9 -45.1 42.2 29.2 118.4 587 658 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.895 106.1 56.0 -63.4 -42.1 43.5 31.5 115.6 588 659 B R H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.2 45.6 -58.7 -40.3 44.3 34.4 117.9 589 660 B A H < S+ 0 0 79 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.834 111.2 53.6 -72.5 -32.6 46.5 32.2 120.0 590 661 B A H < S+ 0 0 16 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.905 131.5 4.1 -68.5 -44.7 48.2 30.7 117.0 591 662 B D >< - 0 0 1 -4,-2.4 3,-1.2 -5,-0.1 -1,-0.3 -0.741 59.8-179.1-147.5 94.1 49.2 34.0 115.4 592 663 B P T 3 S+ 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.653 81.0 67.1 -65.9 -16.3 48.4 37.2 117.4 593 664 B A T 3 S+ 0 0 79 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.673 84.6 84.5 -81.3 -18.3 49.9 39.3 114.6 594 665 B A S < S- 0 0 3 -3,-1.2 2,-0.4 -7,-0.2 -43,-0.2 -0.631 79.3-122.1 -91.1 144.1 47.2 38.5 112.0 595 666 B K E -e 551 0J 81 -45,-2.3 -43,-2.2 -2,-0.3 2,-0.6 -0.685 29.3-139.1 -78.8 130.9 43.9 40.3 111.7 596 667 B L E -e 552 0J 0 -2,-0.4 33,-2.5 -45,-0.2 34,-2.0 -0.849 24.3-173.7 -99.6 117.1 41.1 37.7 112.0 597 668 B f E -ef 553 630J 0 -45,-2.8 -43,-1.8 -2,-0.6 -42,-0.9 -0.803 24.4-143.4-111.8 152.9 38.2 38.1 109.6 598 669 B Y E -ef 555 631J 0 32,-1.8 34,-3.7 -2,-0.3 2,-0.4 -0.924 29.5-160.1-105.1 134.2 34.8 36.4 109.1 599 670 B N E +ef 556 632J 0 -44,-2.3 -42,-2.8 -2,-0.5 2,-0.3 -0.963 21.4 143.9-126.2 136.7 34.1 36.1 105.4 600 671 B D E - f 0 633J 0 32,-1.9 34,-2.7 -2,-0.4 35,-0.4 -0.982 34.6-122.7-160.0 166.9 30.8 35.6 103.5 601 672 B Y S S+ 0 0 46 -2,-0.3 32,-0.0 1,-0.2 31,-0.0 -0.757 84.5 33.4-114.4 164.1 28.7 36.5 100.5 602 673 B N S S+ 0 0 44 -2,-0.3 9,-0.3 34,-0.1 -1,-0.2 0.877 84.6 106.0 58.9 40.6 25.3 38.0 100.1 603 674 B I + 0 0 0 -3,-0.2 -1,-0.1 7,-0.1 -2,-0.0 -0.024 50.7 91.0-131.3 23.9 25.8 40.2 103.2 604 675 B E S S+ 0 0 3 1,-0.1 2,-0.6 46,-0.0 46,-0.3 0.810 70.5 71.6 -89.0 -37.2 26.3 43.4 101.2 605 676 B N S > S- 0 0 17 1,-0.1 3,-1.3 45,-0.1 6,-0.3 -0.736 75.7-145.8 -84.2 121.8 22.6 44.6 101.2 606 677 B W T 3 S+ 0 0 65 -2,-0.6 6,-0.2 1,-0.2 -1,-0.1 0.816 92.2 60.2 -57.8 -35.1 21.6 45.8 104.6 607 678 B T T 3 S+ 0 0 93 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.683 80.1 104.5 -70.3 -18.8 18.0 44.6 104.3 608 679 B W S <> S- 0 0 72 -3,-1.3 4,-1.7 1,-0.1 5,-0.2 -0.374 72.3-134.7 -66.8 141.7 18.9 40.9 103.8 609 680 B A H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.822 105.4 58.0 -63.6 -33.6 18.3 38.6 106.8 610 681 B K H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 104.2 51.8 -63.1 -43.7 21.7 37.0 106.2 611 682 B T H > S+ 0 0 0 -6,-0.3 4,-2.3 -9,-0.3 -2,-0.2 0.937 112.9 44.0 -57.9 -49.8 23.4 40.4 106.6 612 683 B Q H X S+ 0 0 72 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.791 109.0 57.0 -69.4 -27.7 21.7 41.1 109.9 613 684 B G H X S+ 0 0 12 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.917 110.1 45.1 -68.4 -41.5 22.3 37.6 111.1 614 685 B V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 110.1 55.4 -67.1 -40.3 26.0 38.1 110.6 615 686 B Y H X S+ 0 0 45 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.934 107.5 49.2 -57.5 -47.0 25.8 41.6 112.2 616 687 B N H X S+ 0 0 89 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.851 108.9 52.4 -62.6 -35.6 24.3 40.1 115.4 617 688 B M H X S+ 0 0 13 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.941 110.9 46.5 -66.1 -46.7 27.0 37.4 115.6 618 689 B V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.911 111.7 51.5 -61.9 -42.2 29.8 40.0 115.4 619 690 B R H X S+ 0 0 117 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.922 111.4 48.2 -59.6 -43.9 28.0 42.2 118.0 620 691 B D H X S+ 0 0 61 -4,-2.2 4,-2.2 2,-0.2 6,-0.2 0.916 112.1 48.7 -61.9 -45.9 27.8 39.2 120.3 621 692 B F H X>S+ 0 0 4 -4,-2.8 5,-2.6 1,-0.2 4,-0.7 0.928 111.2 49.8 -61.0 -46.4 31.4 38.3 119.8 622 693 B K H <5S+ 0 0 77 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.842 111.8 48.6 -63.5 -34.0 32.5 41.9 120.4 623 694 B Q H <5S+ 0 0 132 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.860 115.5 43.1 -74.2 -35.9 30.5 42.0 123.6 624 695 B R H <5S- 0 0 110 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.427 116.4-109.8 -90.8 1.9 31.8 38.7 125.0 625 696 B G T <5 + 0 0 51 -4,-0.7 -3,-0.2 1,-0.3 -4,-0.1 0.670 57.9 160.9 82.2 15.7 35.4 39.4 124.0 626 697 B V < - 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