==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-07 2JEP . COMPND 2 MOLECULE: XYLOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS PABULI; . AUTHOR T.M.GLOSTER,F.M.IBATULLIN,K.MACAULEY,J.M.EKLOF,S.ROBERTS, . 725 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 42 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 2 2 0 0 2 2 2 0 0 0 2 2 0 0 4 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 6 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 . 2 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 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 33 A A 0 0 49 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.0 11.3 2.6 19.3 2 34 A D > - 0 0 72 1,-0.0 4,-2.6 222,-0.0 5,-0.2 -0.234 360.0 -82.2 -82.4-178.3 12.5 0.4 22.2 3 35 A A H > S+ 0 0 22 1,-0.2 4,-0.9 2,-0.2 -1,-0.0 0.791 129.1 41.5 -61.6 -31.6 15.9 -1.3 22.3 4 36 A S H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.905 115.3 49.2 -82.3 -41.2 14.8 -4.3 20.2 5 37 A Q H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.859 105.4 57.2 -67.5 -37.0 12.7 -2.4 17.7 6 38 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.927 104.4 52.3 -65.3 -40.2 15.4 0.2 16.9 7 39 A V H X S+ 0 0 19 -4,-0.9 4,-1.0 -5,-0.2 -1,-0.2 0.943 110.2 48.9 -59.4 -46.8 17.9 -2.5 15.9 8 40 A S H >< S+ 0 0 85 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.929 112.4 47.5 -55.4 -48.0 15.4 -3.9 13.5 9 41 A E H 3< S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 105.2 59.4 -67.2 -31.4 14.6 -0.5 12.0 10 42 A M H 3< S+ 0 0 0 -4,-2.2 42,-0.5 1,-0.2 -1,-0.2 0.698 79.5 172.2 -72.5 -22.7 18.3 0.4 11.6 11 43 A G << - 0 0 8 -4,-1.0 2,-0.4 -3,-0.7 -1,-0.2 -0.164 55.3 -12.6 56.5-138.4 19.0 -2.6 9.3 12 44 A A S S- 0 0 4 38,-0.4 40,-2.2 313,-0.1 41,-1.2 -0.834 75.7-148.4 -95.2 136.0 22.5 -2.6 7.8 13 45 A G E -ab 53 327A 1 313,-3.0 315,-2.6 -2,-0.4 2,-0.4 -0.639 8.0-155.0-104.8 166.0 24.4 0.7 8.1 14 46 A W E -ab 54 328A 0 39,-1.8 41,-2.1 313,-0.3 2,-0.4 -0.999 14.4-133.0-140.9 132.5 27.0 2.4 5.9 15 47 A N E -ab 55 329A 0 313,-2.6 2,-1.9 -2,-0.4 315,-0.5 -0.755 8.6-142.1 -88.6 133.2 29.7 4.9 6.9 16 48 A L E - b 0 330A 1 39,-2.9 3,-0.5 -2,-0.4 4,-0.4 -0.552 45.3-173.6 -82.7 67.6 30.2 8.1 5.0 17 49 A G + 0 0 0 -2,-1.9 39,-0.0 313,-1.8 312,-0.0 -0.323 49.5 19.9 -78.6 157.4 33.9 7.6 5.5 18 50 A N S S+ 0 0 31 1,-0.1 17,-0.4 -2,-0.1 15,-0.3 0.881 105.9 87.3 54.4 45.2 36.8 9.9 4.7 19 51 A Q S > S+ 0 0 1 -3,-0.5 3,-1.7 38,-0.1 10,-0.3 0.300 91.8 12.2-129.0 -97.0 34.5 12.9 4.5 20 52 A L T 3 S+ 0 0 0 -4,-0.4 39,-2.4 37,-0.3 38,-0.1 0.577 127.4 54.2 -75.4 -4.5 33.5 15.1 7.4 21 53 A E T 3 S+ 0 0 4 37,-0.3 -1,-0.3 36,-0.2 37,-0.1 0.574 83.4 112.5 -93.0 -12.6 36.2 13.6 9.7 22 54 A A < + 0 0 0 -3,-1.7 7,-2.3 35,-0.2 2,-0.3 -0.345 41.9 164.3 -65.4 135.6 38.9 14.3 7.2 23 55 A A E -I 28 0B 16 5,-0.3 2,-0.4 7,-0.1 84,-0.1 -0.971 25.3-161.9-153.1 144.3 41.4 16.9 8.3 24 56 A V E > S-I 27 0B 78 3,-1.4 3,-1.5 -2,-0.3 82,-0.0 -0.996 80.7 -9.6-133.7 132.3 44.9 18.2 7.5 25 57 A N T 3 S- 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 83,-0.1 0.858 131.3 -52.0 43.9 46.0 47.0 20.2 9.9 26 58 A G T 3 S+ 0 0 1 81,-0.3 36,-2.7 1,-0.1 37,-0.3 0.298 112.0 106.9 87.7 -7.1 44.1 20.6 12.2 27 59 A T E < -I 24 0B 66 -3,-1.5 -3,-1.4 34,-0.2 -1,-0.1 -0.909 63.8-131.7-111.1 118.8 41.3 21.9 9.9 28 60 A P E +I 23 0B 7 0, 0.0 -5,-0.3 0, 0.0 2,-0.3 -0.350 33.0 165.2 -63.3 147.4 38.4 19.6 8.9 29 61 A N > - 0 0 78 -7,-2.3 3,-2.1 -10,-0.3 4,-0.3 -0.818 35.3-141.5-166.3 118.0 37.6 19.6 5.2 30 62 A E T 3 S+ 0 0 16 1,-0.3 5,-0.3 -2,-0.3 3,-0.2 0.609 103.1 47.4 -67.5 -10.5 35.4 16.9 3.7 31 63 A T T > S+ 0 0 58 1,-0.1 3,-1.9 3,-0.1 -1,-0.3 0.376 81.3 100.2-101.6 2.4 37.6 16.8 0.5 32 64 A A T < S+ 0 0 37 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.719 82.6 48.1 -66.3 -25.8 40.9 16.6 2.3 33 65 A W T 3 S- 0 0 117 -15,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.109 126.6 -90.9-105.5 20.7 41.3 12.9 1.8 34 66 A G S < S+ 0 0 70 -3,-1.9 -2,-0.1 1,-0.3 -3,-0.1 0.347 86.4 121.2 95.0 -3.2 40.4 12.8 -1.9 35 67 A N - 0 0 14 -17,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.605 64.2-109.2 -86.3 154.4 36.6 12.3 -1.9 36 68 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.297 48.5 -74.7 -73.3 166.1 34.4 14.8 -3.6 37 69 A T - 0 0 78 1,-0.1 2,-0.1 -6,-0.1 -6,-0.0 -0.353 62.9-101.7 -56.3 136.2 32.1 17.1 -1.7 38 70 A V - 0 0 4 -3,-0.1 -1,-0.1 -22,-0.1 -8,-0.0 -0.365 43.4-172.1 -66.1 139.7 29.2 15.1 -0.4 39 71 A T >> - 0 0 58 -3,-0.1 3,-1.1 -2,-0.1 4,-1.0 -0.910 36.8-112.2-127.9 158.6 25.9 15.4 -2.4 40 72 A P H 3> S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.818 111.7 68.4 -60.5 -28.4 22.4 14.1 -1.8 41 73 A E H 3> S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.838 95.3 54.5 -60.9 -35.8 22.7 11.7 -4.8 42 74 A L H <> S+ 0 0 4 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.944 109.3 46.9 -62.3 -46.7 25.4 9.7 -3.0 43 75 A I H X S+ 0 0 1 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.907 110.4 53.0 -65.7 -36.0 23.1 9.1 -0.0 44 76 A K H X S+ 0 0 102 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.882 108.5 50.8 -64.0 -37.4 20.2 8.2 -2.3 45 77 A K H X S+ 0 0 80 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.907 109.6 49.4 -66.2 -42.0 22.4 5.6 -4.0 46 78 A V H <>S+ 0 0 0 -4,-2.3 5,-1.4 1,-0.2 4,-0.4 0.923 112.0 48.9 -63.7 -43.9 23.4 4.1 -0.7 47 79 A K H ><5S+ 0 0 80 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.912 107.2 55.5 -59.5 -43.4 19.7 3.9 0.3 48 80 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 100.5 60.2 -61.5 -28.2 18.8 2.3 -3.1 49 81 A A T 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.565 126.1-101.2 -76.9 -9.2 21.4 -0.4 -2.3 50 82 A G T < 5S+ 0 0 28 -3,-1.9 -38,-0.4 1,-0.4 -3,-0.2 0.304 72.9 141.6 111.1 -4.6 19.4 -1.3 0.8 51 83 A F < - 0 0 2 -5,-1.4 -1,-0.4 1,-0.1 -38,-0.2 -0.493 28.6-170.5 -70.2 140.4 21.2 0.3 3.7 52 84 A K + 0 0 113 -40,-2.2 41,-2.3 -42,-0.5 2,-0.3 0.498 65.6 47.9-111.1 -7.6 18.9 1.8 6.3 53 85 A S E -ac 13 93A 0 -41,-1.2 -39,-1.8 39,-0.2 2,-0.4 -0.990 61.1-158.4-136.9 143.2 21.4 3.7 8.5 54 86 A I E -ac 14 94A 0 39,-2.7 41,-2.2 -2,-0.3 2,-0.5 -0.991 6.8-155.1-121.3 123.8 24.2 6.2 7.7 55 87 A R E -ac 15 95A 0 -41,-2.1 -39,-2.9 -2,-0.4 41,-0.2 -0.882 9.8-161.2 -96.5 130.8 27.0 6.8 10.1 56 88 A I E - c 0 96A 2 39,-3.3 41,-1.1 -2,-0.5 2,-0.1 -0.879 6.6-150.3-118.3 96.1 28.7 10.2 9.5 57 89 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -37,-0.3 -0.475 21.0-172.3 -58.4 134.3 32.1 10.6 11.0 58 90 A V - 0 0 0 -37,-0.1 41,-2.7 -2,-0.1 -37,-0.3 -0.994 11.4-164.6-136.5 127.1 32.6 14.3 11.9 59 91 A S + 0 0 0 -39,-2.4 -37,-0.1 -2,-0.4 39,-0.0 -0.804 10.0 177.4-104.3 155.1 35.8 16.1 13.1 60 92 A Y > + 0 0 0 -2,-0.3 3,-2.5 -39,-0.1 -1,-0.1 0.716 27.7 138.3-120.5 -59.1 35.8 19.5 14.8 61 93 A L G > S+ 0 0 2 1,-0.3 3,-2.0 2,-0.2 -34,-0.2 -0.118 81.4 6.6 54.1-126.1 39.5 20.2 15.7 62 94 A N G 3 S+ 0 0 97 -36,-2.7 -1,-0.3 1,-0.3 -35,-0.1 0.562 115.7 79.0 -77.8 0.3 40.5 23.8 14.9 63 95 A N G < S+ 0 0 17 -3,-2.5 10,-2.7 -37,-0.3 2,-0.5 0.457 78.0 87.7 -76.0 -0.6 36.9 24.7 14.0 64 96 A I B < S-J 72 0C 11 -3,-2.0 8,-0.2 8,-0.2 7,-0.2 -0.898 79.6-139.8 -94.8 126.6 36.4 24.9 17.8 65 97 A G - 0 0 33 6,-2.4 -1,-0.1 -2,-0.5 -2,-0.1 0.073 31.0 -63.2 -77.4-170.2 37.3 28.4 19.1 66 98 A S > - 0 0 101 1,-0.1 4,-2.4 4,-0.1 3,-0.5 -0.228 69.6 -54.4 -78.8 161.9 39.1 29.4 22.2 67 99 A A T 4 S+ 0 0 56 1,-0.3 -1,-0.1 2,-0.2 53,-0.0 -0.386 106.4 26.4 -65.4 153.3 38.2 28.9 25.8 68 100 A P T 4 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 59,-0.1 -1.000 130.9 29.7 -87.6 -9.8 35.8 29.5 27.6 69 101 A N T 4 S- 0 0 105 -3,-0.5 -2,-0.2 2,-0.1 3,-0.2 0.835 75.7-161.3 -80.1 -31.1 33.0 29.5 24.9 70 102 A Y < - 0 0 25 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.898 20.0-163.7 49.9 45.5 34.7 27.0 22.6 71 103 A T - 0 0 80 -5,-0.5 -6,-2.4 -7,-0.2 2,-0.4 -0.398 11.5-132.8 -67.8 128.1 32.4 28.2 19.9 72 104 A I B -J 64 0C 4 -8,-0.2 -8,-0.2 -2,-0.2 -1,-0.1 -0.674 34.4 -94.7 -80.7 134.0 32.2 26.0 16.8 73 105 A N > - 0 0 83 -10,-2.7 4,-1.9 -2,-0.4 3,-0.4 -0.174 32.7-140.2 -47.2 124.6 32.5 27.7 13.4 74 106 A A H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 99.0 55.8 -63.3 -39.1 28.9 28.3 12.3 75 107 A A H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.844 106.5 52.2 -63.2 -34.2 29.6 27.4 8.7 76 108 A W H > S+ 0 0 22 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.947 109.7 47.0 -68.1 -49.2 30.9 24.0 9.8 77 109 A L H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.898 111.8 52.6 -57.6 -38.8 27.8 23.3 11.9 78 110 A N H X S+ 0 0 77 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.878 110.1 48.0 -65.8 -35.7 25.6 24.4 8.9 79 111 A R H X S+ 0 0 50 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.916 110.0 50.7 -69.0 -44.8 27.5 22.0 6.6 80 112 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.930 110.4 51.4 -57.7 -43.2 27.2 19.1 9.0 81 113 A Q H X S+ 0 0 48 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.902 107.3 52.4 -62.9 -39.4 23.5 19.8 9.2 82 114 A Q H X S+ 0 0 96 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.934 111.7 45.8 -61.2 -44.3 23.1 19.8 5.5 83 115 A V H X S+ 0 0 1 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.918 111.0 52.5 -67.6 -42.5 24.8 16.4 5.2 84 116 A V H >X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 3,-0.9 0.935 107.3 54.2 -52.9 -47.5 22.7 15.0 8.0 85 117 A D H 3X S+ 0 0 31 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.837 95.7 65.4 -61.7 -31.9 19.7 16.2 6.2 86 118 A Y H 3< S+ 0 0 35 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.884 117.1 28.5 -54.8 -38.5 20.7 14.3 3.0 87 119 A A H X<>S+ 0 0 0 -4,-1.0 5,-1.9 -3,-0.9 3,-1.1 0.874 120.9 51.7 -87.2 -46.2 20.2 11.1 5.0 88 120 A Y H ><5S+ 0 0 34 -4,-3.3 3,-1.7 1,-0.3 -3,-0.2 0.891 107.0 53.5 -62.4 -40.2 17.5 12.2 7.5 89 121 A N T 3<5S+ 0 0 115 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.651 103.3 59.6 -71.6 -13.2 15.2 13.6 4.8 90 122 A E T < 5S- 0 0 53 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.257 121.7-105.4 -94.4 10.2 15.4 10.2 3.0 91 123 A G T < 5S+ 0 0 44 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.591 75.2 139.0 83.6 8.2 14.0 8.4 6.0 92 124 A L < - 0 0 8 -5,-1.9 -1,-0.3 1,-0.1 2,-0.3 -0.489 58.6-111.9 -86.6 155.5 17.3 6.9 7.1 93 125 A Y E -c 53 0A 14 -41,-2.3 -39,-2.7 -84,-0.2 2,-0.4 -0.624 38.4-160.1 -74.4 147.2 18.7 6.5 10.6 94 126 A V E -cd 54 143A 0 48,-2.9 50,-3.2 -2,-0.3 2,-0.4 -0.998 13.2-163.9-137.8 134.1 21.8 8.8 11.0 95 127 A I E -cd 55 144A 0 -41,-2.2 -39,-3.3 -2,-0.4 2,-0.4 -0.985 7.4-174.3-117.6 129.7 24.6 8.7 13.5 96 128 A I E +cd 56 145A 1 48,-2.0 50,-2.8 -2,-0.4 2,-0.2 -0.958 13.3 167.5-119.8 143.9 26.9 11.8 14.0 97 129 A N - 0 0 0 -41,-1.1 2,-0.5 -2,-0.4 50,-0.2 -0.603 44.3-100.4-133.6-172.5 30.0 11.7 16.3 98 130 A I + 0 0 1 48,-0.3 51,-0.6 -2,-0.2 -39,-0.2 -0.995 53.9 164.1-116.1 117.1 33.2 13.5 17.3 99 131 A H > + 0 0 13 -41,-2.7 3,-1.3 -2,-0.5 50,-0.3 0.885 55.3 26.4-108.9 -77.7 35.8 11.6 15.3 100 132 A G G > S+ 0 0 5 1,-0.3 3,-2.0 2,-0.1 6,-0.2 0.795 106.0 76.6 -64.4 -26.9 39.4 12.8 14.7 101 133 A D G 3 S+ 0 0 0 1,-0.3 10,-2.6 -43,-0.2 9,-1.5 0.701 87.9 58.7 -59.6 -23.8 39.4 14.9 17.8 102 134 A G G < S+ 0 0 3 -3,-1.3 50,-0.5 8,-0.2 2,-0.5 0.460 85.8 97.2 -87.8 0.3 39.9 11.8 20.1 103 135 A Y X - 0 0 45 -3,-2.0 3,-1.0 -4,-0.2 6,-0.2 -0.776 59.3-154.4 -97.6 131.5 43.2 10.6 18.5 104 136 A N T 3 S+ 0 0 68 -2,-0.5 5,-0.2 48,-0.3 -1,-0.1 0.850 99.4 56.2 -57.4 -36.0 46.7 11.3 19.8 105 137 A S T 3 S+ 0 0 111 2,-0.1 2,-0.4 3,-0.1 -1,-0.2 0.502 87.8 90.8 -82.3 -6.7 47.9 10.8 16.3 106 138 A V S X S- 0 0 40 -3,-1.0 3,-2.5 -6,-0.2 2,-0.3 -0.770 86.7-111.9 -92.0 133.2 45.7 13.5 14.6 107 139 A Q T 3 S+ 0 0 115 -2,-0.4 -81,-0.3 1,-0.3 3,-0.1 -0.487 108.3 16.4 -62.7 121.7 47.0 17.0 14.4 108 140 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.3 -2,-0.3 2,-0.1 0.374 86.7 154.2 92.3 -4.8 44.9 19.1 16.7 109 141 A G < + 0 0 17 -3,-2.5 -1,-0.3 -6,-0.2 -7,-0.2 -0.430 4.5 157.2 -60.4 129.7 43.5 16.0 18.5 110 142 A W + 0 0 25 -9,-1.5 2,-1.7 -2,-0.1 -8,-0.2 0.503 42.7 91.1-134.0 -17.0 42.6 17.1 22.0 111 143 A L + 0 0 0 -10,-2.6 2,-0.6 -8,-0.1 -1,-0.1 -0.630 62.0 159.5 -90.8 77.5 40.0 14.6 23.5 112 144 A L > - 0 0 24 -2,-1.7 3,-1.9 1,-0.1 41,-0.1 -0.911 43.9-158.5-117.6 114.3 42.8 12.6 25.0 113 145 A V T 3 S+ 0 0 0 -2,-0.6 53,-0.1 39,-0.4 -1,-0.1 0.778 102.8 46.5 -59.2 -28.0 42.3 10.2 27.9 114 146 A N T 3 S+ 0 0 6 38,-0.3 -1,-0.3 468,-0.1 39,-0.1 0.434 87.3 124.2 -90.4 -3.9 46.1 10.6 28.5 115 147 A G < - 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0 0 19 -2,-0.5 -39,-0.4 -50,-0.5 -38,-0.3 -0.899 69.6 -97.6-165.7-173.7 84.4 8.2 23.8 516 185 B D - 0 0 22 2,-0.3 3,-0.1 -2,-0.3 -50,-0.0 0.245 65.6 -94.8-104.7 6.9 88.0 9.1 24.6 517 186 B G S S+ 0 0 39 1,-0.3 2,-0.4 2,-0.0 -51,-0.0 0.278 89.5 121.0 94.1 -9.9 89.7 7.3 21.6 518 187 B N - 0 0 103 1,-0.1 -1,-0.3 2,-0.1 -2,-0.3 -0.757 49.1-159.6 -89.6 133.6 90.4 4.1 23.6 519 188 B Y + 0 0 175 -2,-0.4 -1,-0.1 -3,-0.1 2,-0.0 0.510 67.6 71.0 -91.7 -6.9 88.9 1.0 22.2 520 189 B G S S- 0 0 36 1,-0.2 3,-0.1 0, 0.0 -2,-0.1 0.054 102.0 -23.6 -90.0-156.4 89.0 -1.1 25.3 521 190 B N S S- 0 0 112 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 -0.201 77.9-102.8 -60.5 136.0 87.0 -0.9 28.5 522 191 B P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.353 27.3-112.8 -63.8 139.9 85.5 2.5 29.2 523 192 B N > - 0 0 65 1,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.536 26.7-140.8 -61.8 121.1 87.1 4.9 31.8 524 193 B S H > S+ 0 0 89 -2,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.864 98.5 50.7 -62.5 -38.7 84.4 5.0 34.5 525 194 B A H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 111.7 48.2 -63.1 -45.2 84.8 8.7 35.1 526 195 B Y H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.867 107.1 55.9 -64.6 -35.6 84.5 9.5 31.4 527 196 B Y H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.894 103.7 55.6 -63.0 -37.8 81.4 7.3 31.2 528 197 B T H X S+ 0 0 90 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.917 106.1 50.6 -58.6 -42.2 79.9 9.5 34.0 529 198 B N H X S+ 0 0 30 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.938 109.7 50.3 -58.8 -46.7 80.5 12.5 31.8 530 199 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.943 111.0 48.7 -56.2 -49.0 78.8 10.8 28.9 531 200 B N H X S+ 0 0 18 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.876 108.6 54.6 -59.7 -38.9 75.8 9.9 31.1 532 201 B A H X S+ 0 0 23 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.886 105.7 52.2 -61.6 -42.3 75.7 13.6 32.3 533 202 B Y H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.949 109.4 49.7 -60.5 -46.6 75.5 14.8 28.7 534 203 B N H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 112.4 47.6 -59.6 -40.5 72.6 12.5 28.0 535 204 B Q H X S+ 0 0 47 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.913 112.1 48.7 -65.8 -45.3 70.8 13.7 31.2 536 205 B I H X S+ 0 0 39 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.916 111.9 51.0 -59.0 -44.8 71.4 17.4 30.3 537 206 B F H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.952 111.7 45.8 -56.0 -54.7 70.1 16.7 26.8 538 207 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.962 117.5 41.8 -58.2 -52.3 66.9 15.1 28.0 539 208 B D H X S+ 0 0 31 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.876 114.9 50.9 -68.3 -35.3 66.1 17.7 30.6 540 209 B T H X S+ 0 0 12 -4,-2.6 4,-0.6 -5,-0.3 3,-0.2 0.940 112.4 45.8 -65.7 -47.5 67.1 20.7 28.4 541 210 B V H >< S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.3 -2,-0.2 0.917 110.7 53.3 -61.2 -46.4 65.0 19.5 25.5 542 211 B R H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.817 103.8 56.3 -59.5 -33.1 61.9 18.7 27.6 543 212 B Q H 3< S+ 0 0 121 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.566 93.0 85.1 -84.2 -6.0 61.9 22.2 29.2 544 213 B T S << S- 0 0 16 -3,-1.3 5,-0.2 -4,-0.6 -51,-0.0 -0.390 83.4-103.0 -82.5 173.9 61.7 23.8 25.8 545 214 B G S > S+ 0 0 44 3,-0.1 3,-2.0 -2,-0.1 4,-0.2 0.238 73.5 37.2 -90.4-161.8 58.3 24.3 24.2 546 215 B G G > S- 0 0 45 1,-0.3 3,-0.6 2,-0.1 -45,-0.2 -0.243 122.6 -24.3 54.6-135.7 56.1 22.9 21.6 547 216 B N G >> S+ 0 0 42 -47,-3.2 3,-1.6 1,-0.2 4,-1.5 0.325 109.5 101.8 -90.7 8.4 56.2 19.1 21.2 548 217 B N G <4 S+ 0 0 0 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.787 73.5 61.5 -67.6 -23.8 59.7 18.8 22.7 549 218 B N G <4 S+ 0 0 53 -3,-0.6 31,-3.0 1,-0.2 -1,-0.3 0.644 116.9 30.2 -73.2 -10.9 58.3 17.7 26.0 550 219 B A T <4 S+ 0 0 15 -3,-1.6 -2,-0.2 29,-0.2 -1,-0.2 0.569 91.8 107.5-121.5 -18.7 56.8 14.6 24.4 551 220 B R S < S- 0 0 0 -4,-1.5 2,-0.3 1,-0.1 -44,-0.1 -0.163 76.6 -91.7 -69.5 163.2 58.9 13.6 21.4 552 221 B W - 0 0 7 -48,-0.3 -44,-1.4 -46,-0.2 2,-0.4 -0.545 38.3-159.9 -71.3 137.9 61.1 10.6 21.2 553 222 B L E -qr 508 590F 0 36,-1.8 38,-2.8 -2,-0.3 2,-0.5 -0.982 3.4-151.4-124.7 129.0 64.8 11.2 22.3 554 223 B L E +qr 509 591F 0 -46,-2.8 -44,-2.5 -2,-0.4 -43,-0.3 -0.862 16.8 179.0-109.1 125.1 67.6 8.9 21.2 555 224 B V E - r 0 592F 0 36,-2.6 38,-2.4 -2,-0.5 2,-0.2 -0.983 10.9-151.4-129.7 139.2 70.6 8.4 23.4 556 225 B P E - r 0 593F 0 0, 0.0 38,-0.1 0, 0.0 2,-0.1 -0.605 7.5-135.7 -98.9 167.1 73.8 6.3 23.0 557 226 B G > - 0 0 0 36,-0.7 3,-1.7 -2,-0.2 -43,-0.5 -0.221 64.5 -28.2 -95.2-161.9 76.2 4.6 25.4 558 227 B W G > S- 0 0 2 6,-0.4 3,-2.5 1,-0.3 6,-0.2 -0.321 126.1 -23.9 -61.1 120.0 80.0 4.6 25.0 559 228 B N G 3 S- 0 0 23 -45,-2.4 -1,-0.3 1,-0.3 36,-0.1 0.720 107.7 -78.7 50.3 30.3 81.1 4.8 21.4 560 229 B T G < S+ 0 0 4 -3,-1.7 35,-2.5 -46,-0.2 2,-0.5 0.764 89.6 155.9 49.9 29.7 77.7 3.4 20.3 561 230 B N <> - 0 0 52 -3,-2.5 4,-1.0 33,-0.2 -1,-0.2 -0.723 41.2-150.3 -93.6 123.2 79.2 0.0 21.3 562 231 B I H >> S+ 0 0 3 -2,-0.5 4,-2.9 33,-0.4 3,-1.2 0.943 95.2 48.2 -56.2 -54.7 76.7 -2.7 22.2 563 232 B D H 3> S+ 0 0 67 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.913 113.8 47.1 -55.5 -42.6 78.9 -4.5 24.7 564 233 B Y H 34 S+ 0 0 32 1,-0.2 7,-0.4 -6,-0.2 -6,-0.4 0.608 115.8 46.3 -78.9 -9.5 79.8 -1.3 26.5 565 234 B T H << S+ 0 0 2 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.785 120.6 34.8 -94.3 -40.2 76.2 -0.2 26.6 566 235 B V H < S+ 0 0 24 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.764 108.3 74.7 -87.1 -26.4 74.6 -3.4 27.8 567 236 B G S < S- 0 0 30 -4,-2.3 2,-1.8 -5,-0.4 3,-0.4 -0.103 100.6 -85.3 -83.0-177.2 77.4 -4.7 30.1 568 237 B N S S+ 0 0 167 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 -0.460 86.9 114.9 -88.7 68.1 78.4 -3.5 33.5 569 238 B Y S S- 0 0 84 -2,-1.8 -1,-0.2 -5,-0.2 -42,-0.1 0.429 93.9 -79.3-117.1 -5.2 80.7 -0.7 32.4 570 239 B G S S+ 0 0 33 -3,-0.4 -2,-0.1 1,-0.3 -39,-0.1 0.345 73.9 146.0 123.8 -5.6 78.9 2.4 33.7 571 240 B F - 0 0 29 -7,-0.4 2,-0.4 -4,-0.4 -1,-0.3 -0.418 24.1-173.2 -60.1 138.1 76.0 3.2 31.3 572 241 B T - 0 0 81 -45,-0.2 -1,-0.0 -2,-0.1 0, 0.0 -0.987 24.6-119.0-130.8 144.5 73.0 4.7 33.1 573 242 B L - 0 0 65 -2,-0.4 2,-0.1 1,-0.1 -42,-0.0 -0.606 34.4-117.4 -76.4 136.0 69.6 5.4 31.7 574 243 B P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.444 22.5-122.6 -70.0 147.8 68.6 9.1 31.9 575 244 B T - 0 0 72 -2,-0.1 -36,-0.1 1,-0.0 3,-0.1 -0.476 14.7-155.9 -77.1 161.4 65.6 10.1 34.0 576 245 B D > + 0 0 19 -2,-0.2 3,-1.4 1,-0.1 -1,-0.0 -0.323 37.2 143.9-137.6 54.5 62.9 12.0 32.2 577 246 B N T 3 + 0 0 135 1,-0.3 -1,-0.1 0, 0.0 -38,-0.0 0.642 69.0 55.9 -75.9 -14.6 61.1 13.9 34.9 578 247 B Y T 3 S+ 0 0 125 -3,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.348 83.0 121.7 -95.6 4.7 60.4 17.1 32.9 579 248 B R S < S- 0 0 61 -3,-1.4 -29,-0.2 1,-0.2 -30,-0.1 -0.195 75.2 -74.6 -69.1 162.2 58.6 15.2 30.1 580 249 B S > - 0 0 18 -31,-3.0 3,-1.3 1,-0.1 -1,-0.2 -0.210 29.5-136.1 -53.8 135.9 55.0 15.8 29.1 581 250 B S T 3 S+ 0 0 91 1,-0.2 -1,-0.1 -3,-0.1 4,-0.1 0.649 101.5 69.8 -66.3 -13.4 52.3 14.6 31.5 582 251 B A T 3 S+ 0 0 24 2,-0.1 -1,-0.2 3,-0.0 -468,-0.1 0.582 70.2 104.5 -82.1 -12.4 50.4 13.3 28.4 583 252 B I S < S- 0 0 8 -3,-1.3 6,-0.1 1,-0.1 4,-0.0 -0.578 94.0 -98.3 -68.4 126.4 53.0 10.6 27.8 584 253 B P > - 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