==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-DEC-01 1ISY . 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 . 872 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 11.1 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 . 59 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 5 0 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 8 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 PARALLEL BRIDGES PER LADDER . 20 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 0 100 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0-161.5 6.0 25.1 53.9 2 2 A E + 0 0 86 8,-0.1 299,-0.1 9,-0.0 298,-0.0 0.199 360.0 95.1-165.8 21.4 7.6 28.2 55.5 3 3 A S S S+ 0 0 72 298,-0.0 2,-0.3 5,-0.0 294,-0.1 0.571 86.1 50.1 -95.3 -12.0 9.0 27.2 58.9 4 4 A T S > S- 0 0 24 1,-0.1 4,-2.6 293,-0.1 5,-0.2 -0.894 86.0-118.6-124.8 155.9 12.5 26.6 57.5 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.912 112.4 49.6 -58.7 -46.7 14.8 28.8 55.3 6 6 A G H > S+ 0 0 3 31,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.946 114.0 43.6 -58.3 -53.4 14.9 26.3 52.5 7 7 A A H > S+ 0 0 26 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.898 113.8 52.1 -59.4 -43.4 11.2 25.7 52.3 8 8 A A H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 4,-0.4 0.923 111.0 47.3 -59.3 -45.8 10.5 29.5 52.6 9 9 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 3,-1.7 0.896 104.4 62.2 -62.4 -41.1 12.9 30.1 49.8 10 10 A A H ><5S+ 0 0 51 -4,-2.5 3,-2.5 1,-0.3 -1,-0.2 0.791 86.4 73.8 -56.2 -32.3 11.3 27.4 47.7 11 11 A Q T <<5S+ 0 0 105 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.790 104.5 38.6 -53.7 -30.0 8.0 29.3 47.7 12 12 A S T < 5S- 0 0 52 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.194 125.8-100.0-106.4 15.7 9.5 31.7 45.2 13 13 A G T < 5S+ 0 0 70 -3,-2.5 -3,-0.2 1,-0.3 2,-0.2 0.668 88.8 114.7 76.9 16.8 11.3 29.0 43.3 14 14 A R < - 0 0 35 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.472 55.1-131.3-109.1-177.5 14.6 29.8 45.0 15 15 A Y E -a 262 0A 14 246,-0.8 248,-2.5 -2,-0.2 2,-0.4 -0.894 2.8-150.4-132.7 162.0 16.9 28.0 47.4 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.1 246,-0.2 24,-0.6 -0.942 31.7 170.6-134.1 110.0 18.7 28.7 50.7 17 17 A G E -ab 264 40A 0 246,-2.6 248,-2.4 -2,-0.4 2,-0.3 -0.547 18.5-156.0-114.6-179.0 21.9 26.8 51.1 18 18 A T E -ab 265 41A 0 22,-1.5 24,-1.7 246,-0.3 2,-0.5 -0.896 31.0 -96.8-146.4 172.0 24.9 26.5 53.3 19 19 A A E - b 0 42A 0 246,-0.8 2,-0.5 -2,-0.3 249,-0.2 -0.863 38.6-150.4 -97.3 129.4 28.5 25.4 53.1 20 20 A I E - b 0 43A 0 22,-2.8 24,-2.7 -2,-0.5 2,-0.6 -0.880 5.1-155.0-105.9 132.5 29.0 21.9 54.4 21 21 A A > - 0 0 11 -2,-0.5 3,-1.8 22,-0.2 4,-0.5 -0.924 12.0-145.5-104.5 118.3 32.2 20.7 56.1 22 22 A S G > S+ 0 0 41 -2,-0.6 3,-1.0 1,-0.3 4,-0.2 0.794 95.8 63.1 -54.5 -31.5 32.6 16.9 55.8 23 23 A G G 3 S+ 0 0 74 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.736 102.7 49.6 -67.5 -21.6 34.3 16.6 59.2 24 24 A K G X S+ 0 0 64 -3,-1.8 3,-2.2 1,-0.2 7,-0.4 0.488 81.9 91.3 -95.0 -5.6 31.2 17.9 60.9 25 25 A L T < S+ 0 0 33 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.578 82.6 60.2 -67.2 -6.1 28.8 15.5 59.2 26 26 A G T 3 S+ 0 0 79 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.412 86.0 91.5 -98.0 0.7 29.4 13.2 62.2 27 27 A D <> - 0 0 63 -3,-2.2 4,-2.9 1,-0.1 3,-0.3 -0.860 62.3-160.9 -98.9 110.1 28.1 15.8 64.6 28 28 A S H > S+ 0 0 88 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.823 91.9 56.7 -61.9 -31.8 24.3 15.4 65.2 29 29 A A H > S+ 0 0 49 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.908 113.0 42.8 -64.7 -39.6 24.0 19.0 66.4 30 30 A Y H > S+ 0 0 1 -3,-0.3 4,-2.7 -6,-0.2 -2,-0.2 0.960 117.1 43.8 -69.2 -55.1 25.4 20.1 63.1 31 31 A T H X S+ 0 0 30 -4,-2.9 4,-3.1 -7,-0.4 5,-0.4 0.850 106.0 61.7 -62.4 -36.5 23.5 17.8 60.9 32 32 A T H X S+ 0 0 75 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.939 113.2 36.8 -55.9 -47.4 20.2 18.3 62.7 33 33 A I H X S+ 0 0 8 -4,-1.2 4,-2.6 -5,-0.2 5,-0.3 0.962 118.7 50.1 -69.2 -50.4 20.3 22.0 61.7 34 34 A A H X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.899 111.0 45.9 -56.1 -49.5 21.9 21.4 58.3 35 35 A S H < S+ 0 0 42 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.828 118.5 44.2 -65.2 -31.9 19.5 18.8 57.0 36 36 A R H < S+ 0 0 104 -4,-1.1 -2,-0.2 -5,-0.4 -1,-0.2 0.903 117.3 37.4 -80.0 -46.1 16.4 20.8 58.2 37 37 A E H < S+ 0 0 1 -4,-2.6 -31,-2.0 -5,-0.2 2,-0.3 0.722 105.8 59.7 -85.3 -23.9 17.2 24.3 57.2 38 38 A F < - 0 0 5 -4,-1.5 -21,-0.2 -5,-0.3 3,-0.1 -0.825 38.7-178.7-116.3 149.9 18.9 24.1 53.8 39 39 A N S S+ 0 0 36 -23,-2.1 38,-1.9 -2,-0.3 2,-0.3 0.156 75.8 57.8-124.0 16.8 18.0 22.8 50.3 40 40 A M E -bc 17 77A 1 -24,-0.6 -22,-1.5 36,-0.3 2,-0.4 -0.991 66.2-162.4-144.9 139.7 21.3 23.7 48.6 41 41 A V E -bc 18 78A 0 36,-2.2 38,-2.5 -2,-0.3 2,-0.4 -0.981 12.0-173.0-132.7 139.3 24.8 22.5 49.5 42 42 A T E -bc 19 79A 0 -24,-1.7 -22,-2.8 -2,-0.4 2,-0.5 -0.996 31.5-124.0-124.9 129.3 28.3 23.7 48.7 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.3 -2,-0.4 -22,-0.2 -0.625 18.0-145.9 -72.8 124.6 31.3 21.5 49.9 44 44 A E S S- 0 0 25 -24,-2.7 -1,-0.2 -2,-0.5 -23,-0.1 0.871 82.9 -18.4 -61.1 -36.9 33.4 23.9 51.9 45 45 A N S > S+ 0 0 70 -25,-0.4 3,-1.4 3,-0.1 6,-0.3 0.522 113.1 90.4-143.9 -18.9 36.7 22.3 50.9 46 46 A E T 3 S+ 0 0 19 1,-0.2 18,-0.5 17,-0.1 19,-0.1 0.568 92.2 44.6 -66.1 -12.8 36.1 18.8 49.5 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.2 -4,-0.3 5,-0.1 0.264 85.5 115.4-115.3 11.2 35.7 19.8 45.8 48 48 A K S <> S- 0 0 14 -3,-1.4 4,-1.4 1,-0.1 5,-0.2 -0.222 80.5-100.3 -73.0 171.0 38.6 22.3 45.5 49 49 A I H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.920 119.6 45.8 -59.6 -51.3 41.5 21.6 43.2 50 50 A D H 4 S+ 0 0 64 38,-1.0 -1,-0.2 1,-0.2 39,-0.1 0.798 114.3 50.2 -65.0 -29.5 44.0 20.3 45.8 51 51 A A H 4 S+ 0 0 39 -6,-0.3 -1,-0.2 1,-0.1 12,-0.2 0.725 118.6 36.2 -81.8 -23.5 41.4 18.1 47.4 52 52 A T H < S+ 0 0 0 -4,-1.4 8,-3.2 -3,-0.4 -2,-0.2 0.711 127.6 31.1-101.9 -25.7 40.3 16.5 44.1 53 53 A E < + 0 0 1 -4,-2.5 -1,-0.2 6,-0.3 6,-0.2 -0.617 63.0 168.8-134.3 73.8 43.6 16.2 42.2 54 54 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.793 79.2 18.1 -53.9 -34.9 46.3 15.7 44.9 55 55 A Q B > S-I 58 0B 116 3,-1.0 3,-2.3 -3,-0.1 2,-0.1 -0.977 106.7 -83.3-138.1 148.5 48.8 14.8 42.1 56 56 A R T 3 S+ 0 0 102 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.307 116.1 7.5 -57.6 123.0 48.4 15.6 38.4 57 57 A G T 3 S+ 0 0 45 1,-0.1 2,-0.7 47,-0.1 -1,-0.3 0.290 107.6 102.3 89.3 -10.9 46.3 12.9 36.7 58 58 A Q B < -I 55 0B 123 -3,-2.3 -3,-1.0 2,-0.0 2,-0.3 -0.887 56.1-166.0-111.3 102.8 45.4 11.3 40.0 59 59 A F - 0 0 71 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.3 -0.623 10.4-166.8 -93.0 146.1 41.9 12.3 41.1 60 60 A N + 0 0 75 -8,-3.2 4,-0.2 -2,-0.3 3,-0.1 -0.945 17.5 161.7-133.2 110.4 40.4 11.8 44.6 61 61 A F > + 0 0 28 -2,-0.4 4,-3.6 1,-0.1 5,-0.3 0.313 44.4 105.3-111.9 7.4 36.6 12.2 45.0 62 62 A S H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.937 88.0 36.1 -53.0 -57.5 36.0 10.4 48.3 63 63 A A H > S+ 0 0 41 -12,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 119.4 50.6 -65.0 -44.3 35.5 13.4 50.5 64 64 A G H > S+ 0 0 0 -18,-0.5 4,-2.5 -4,-0.2 -2,-0.2 0.929 110.4 48.9 -59.5 -45.9 33.7 15.3 47.8 65 65 A D H X S+ 0 0 38 -4,-3.6 4,-3.0 1,-0.2 5,-0.3 0.818 104.8 60.7 -63.9 -30.9 31.4 12.4 47.1 66 66 A R H X S+ 0 0 156 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.942 110.7 39.0 -61.3 -48.8 30.7 12.2 50.9 67 67 A V H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.914 115.7 52.9 -67.8 -43.0 29.3 15.7 50.9 68 68 A Y H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.935 111.4 45.4 -58.4 -48.9 27.5 15.3 47.6 69 69 A N H X S+ 0 0 83 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.885 110.9 52.3 -64.3 -40.1 25.8 12.1 48.7 70 70 A W H X S+ 0 0 41 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.915 111.1 50.2 -62.2 -39.9 24.7 13.5 52.0 71 71 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 3,-0.8 0.983 113.6 41.3 -61.8 -60.1 23.2 16.5 50.2 72 72 A V H ><5S+ 0 0 69 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.907 113.4 54.0 -55.8 -45.4 21.2 14.5 47.6 73 73 A Q H 3<5S+ 0 0 161 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.776 112.7 45.3 -61.6 -26.3 20.0 12.0 50.2 74 74 A N T <<5S- 0 0 67 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.219 125.9 -95.4-103.2 13.8 18.8 14.9 52.4 75 75 A G T < 5S+ 0 0 56 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.855 79.8 127.8 80.3 37.5 17.0 16.8 49.7 76 76 A K < - 0 0 14 -5,-2.0 -36,-0.3 -8,-0.1 -1,-0.2 -0.972 48.8-140.8-128.5 141.0 19.7 19.4 48.6 77 77 A Q E -c 40 0A 113 -38,-1.9 -36,-2.2 -2,-0.4 2,-0.4 -0.338 30.0-123.6 -82.8 177.6 21.1 20.3 45.2 78 78 A V E -c 41 0A 2 41,-0.3 44,-1.3 -38,-0.2 43,-1.3 -0.981 12.4-153.1-134.1 140.8 24.8 21.0 45.0 79 79 A R E -cd 42 122A 1 -38,-2.5 -36,-0.7 -2,-0.4 2,-0.5 -0.946 28.2-130.1-106.5 125.6 27.0 23.9 43.9 80 80 A G E - d 0 123A 0 42,-3.9 44,-3.1 -2,-0.5 2,-0.4 -0.672 20.7-143.3 -81.2 124.0 30.5 22.7 42.8 81 81 A H E - d 0 124A 4 -2,-0.5 -34,-0.5 1,-0.2 44,-0.1 -0.949 57.7 -13.3-133.9 110.6 33.2 24.7 44.4 82 82 A T E + 0 0 0 42,-0.5 -1,-0.2 -2,-0.4 43,-0.2 0.708 39.6 164.7-150.4 158.3 35.5 25.2 42.5 83 83 A L E S+ 0 0 2 41,-2.2 2,-0.4 -3,-0.3 43,-0.2 0.881 83.5 24.2 -84.8 -43.2 37.3 24.3 39.2 84 84 A A E S+ d 0 126A 2 41,-1.9 43,-2.9 40,-0.4 2,-0.3 -0.977 73.0 144.2-131.5 120.2 39.9 26.9 38.4 85 85 A W E - d 0 127A 13 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.995 48.3-138.0-156.3 147.1 41.4 29.1 41.0 86 86 A H S S+ 0 0 49 41,-0.6 3,-0.4 -2,-0.3 2,-0.2 0.758 86.4 72.4 -77.6 -25.9 44.7 30.8 41.9 87 87 A S S S+ 0 0 41 1,-0.2 -2,-0.1 40,-0.2 40,-0.1 -0.585 98.1 11.0 -95.9 155.7 44.4 29.8 45.6 88 88 A Q S S+ 0 0 80 -2,-0.2 -38,-1.0 1,-0.2 -1,-0.2 0.797 79.2 160.6 51.6 36.7 44.8 26.5 47.3 89 89 A Q - 0 0 8 -3,-0.4 -1,-0.2 -40,-0.1 5,-0.1 -0.575 49.3 -97.6 -81.4 148.1 46.2 24.8 44.2 90 90 A P >> - 0 0 10 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.272 39.5-103.5 -62.4 158.4 48.0 21.6 45.0 91 91 A G H 3> S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -36,-0.1 0.882 119.7 54.8 -49.2 -46.1 51.8 22.0 45.1 92 92 A W H 34 S+ 0 0 33 -38,-0.3 3,-0.5 1,-0.2 4,-0.4 0.856 108.9 47.3 -59.7 -37.1 52.4 20.5 41.7 93 93 A M H X4 S+ 0 0 4 -3,-0.7 3,-1.2 1,-0.2 -1,-0.2 0.861 102.7 63.0 -72.8 -35.4 50.0 22.9 40.0 94 94 A Q H 3< S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 103.8 50.6 -60.6 -22.3 51.5 25.9 41.8 95 95 A S T 3< S+ 0 0 88 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.603 92.7 94.4 -92.4 -13.8 54.8 25.1 40.0 96 96 A L < + 0 0 28 -3,-1.2 2,-0.3 -4,-0.4 3,-0.0 -0.275 48.6 172.7 -76.9 166.1 53.3 24.9 36.5 97 97 A S >> + 0 0 72 49,-0.0 4,-1.4 46,-0.0 3,-0.9 -0.963 40.2 2.6-161.8 170.1 53.2 27.8 34.0 98 98 A G H >> S- 0 0 34 -2,-0.3 4,-2.4 44,-0.3 3,-0.6 -0.001 122.1 -7.1 46.0-143.9 52.3 28.6 30.4 99 99 A S H 3> S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.809 134.6 56.2 -51.2 -39.1 51.0 25.9 28.1 100 100 A T H <> S+ 0 0 66 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.897 110.0 44.1 -65.3 -40.5 51.5 23.1 30.7 101 101 A L H < S+ 0 0 39 -4,-1.4 3,-1.0 -5,-0.4 -1,-0.2 0.923 106.5 50.4 -63.8 -42.6 33.2 14.3 34.2 115 115 A H H 3< S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 121.5 32.9 -61.2 -41.8 33.0 12.6 37.6 116 116 A Y T >X S+ 0 0 0 -4,-1.9 3,-2.9 -5,-0.1 4,-0.7 0.179 86.3 159.4-101.4 16.6 30.0 14.7 38.7 117 117 A K T <4 S+ 0 0 111 -3,-1.0 -3,-0.1 1,-0.3 45,-0.1 -0.128 73.2 0.1 -45.7 121.2 28.5 14.9 35.1 118 118 A G T 34 S+ 0 0 52 2,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.490 115.9 86.4 76.8 4.5 24.8 15.8 35.3 119 119 A K T <4 + 0 0 76 -3,-2.9 2,-0.6 1,-0.1 -41,-0.3 0.523 67.8 82.2-112.1 -9.2 24.8 15.9 39.1 120 120 A I < - 0 0 6 -4,-0.7 46,-0.3 1,-0.2 -2,-0.2 -0.881 55.0-163.0-106.7 119.1 25.8 19.5 39.9 121 121 A A S S+ 0 0 28 -43,-1.3 45,-1.7 -2,-0.6 2,-0.3 0.906 81.5 8.4 -60.8 -46.1 23.3 22.3 39.7 122 122 A Q E -de 79 166A 7 -44,-1.3 -42,-3.9 43,-0.2 2,-0.5 -1.000 64.6-157.6-141.3 139.1 25.9 25.0 39.5 123 123 A W E -de 80 167A 0 43,-2.6 45,-3.3 -2,-0.3 2,-1.6 -0.967 16.4-143.7-117.7 129.0 29.7 24.9 39.1 124 124 A D E +de 81 168A 0 -44,-3.1 -41,-2.2 -2,-0.5 -42,-0.5 -0.747 30.5 176.1 -86.1 88.2 32.0 27.8 40.1 125 125 A V E + 0 0 0 -2,-1.6 -41,-1.9 43,-1.3 2,-0.4 0.940 65.9 25.1 -61.5 -50.7 34.2 27.2 37.1 126 126 A V E S-de 84 169A 0 42,-1.0 44,-2.3 -3,-0.2 2,-0.4 -0.972 76.2-160.0-121.1 131.5 36.5 30.1 37.7 127 127 A N E -de 85 170A 0 -43,-2.9 -41,-0.6 -2,-0.4 44,-0.2 -0.942 59.6 -21.2-119.8 131.1 37.0 31.6 41.2 128 128 A E + 0 0 22 42,-2.8 -42,-0.2 -2,-0.4 -1,-0.2 0.865 66.5 157.7 43.3 62.3 38.4 35.1 42.2 129 129 A A + 0 0 1 41,-0.2 10,-2.0 -3,-0.1 2,-0.4 0.367 47.3 86.1 -92.6 3.5 40.2 36.1 39.0 130 130 A F B S-J 138 0C 6 8,-0.3 8,-0.3 10,-0.0 51,-0.1 -0.883 75.9-117.8-113.6 142.4 40.1 39.8 39.7 131 131 A S - 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0 0 24 -3,-2.0 3,-2.2 1,-0.1 -1,-0.3 -0.140 42.8-103.3 129.0 134.6 47.0 34.2 28.7 148 148 A N T > S+ 0 0 94 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.708 115.1 68.5 -55.5 -21.0 44.1 36.5 29.4 149 149 A D T 3> + 0 0 76 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.376 67.7 99.8 -82.3 5.0 41.9 34.0 27.6 150 150 A W H <> S+ 0 0 3 -3,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.907 80.8 51.4 -59.0 -43.0 42.2 31.4 30.4 151 151 A I H <> S+ 0 0 0 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.947 111.0 47.7 -58.6 -49.4 38.9 32.2 31.9 152 152 A E H > S+ 0 0 39 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.891 113.1 48.8 -58.5 -42.6 37.1 31.9 28.6 153 153 A V H X S+ 0 0 29 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.914 106.8 56.1 -65.1 -42.1 38.8 28.6 27.9 154 154 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.927 111.2 44.6 -55.2 -46.0 37.9 27.3 31.4 155 155 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.892 111.9 50.0 -67.1 -43.0 34.2 28.0 30.6 156 156 A R H X S+ 0 0 112 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.916 112.2 49.5 -62.9 -40.1 34.2 26.6 27.1 157 157 A T H X S+ 0 0 19 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.926 110.7 50.5 -62.2 -45.8 35.9 23.4 28.5 158 158 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.923 105.8 53.6 -59.2 -49.7 33.3 23.2 31.2 159 159 A R H < S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.6 44.1 -53.4 -43.6 30.3 23.5 28.9 160 160 A A H < S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 111.0 54.6 -68.2 -40.9 31.7 20.6 26.9 161 161 A A H < S- 0 0 14 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.869 134.8 -3.4 -61.0 -40.6 32.5 18.6 30.0 162 162 A D >< - 0 0 3 -4,-2.7 3,-1.3 -5,-0.1 -1,-0.3 -0.647 60.0-177.0-158.5 93.0 28.9 18.8 31.3 163 163 A P T 3 S+ 0 0 83 0, 0.0 4,-0.1 0, 0.0 -4,-0.1 0.600 82.4 66.2 -67.4 -12.8 26.3 20.9 29.4 164 164 A A T 3 S+ 0 0 82 2,-0.1 2,-0.3 -5,-0.1 -5,-0.1 0.618 85.2 90.2 -84.4 -13.0 23.6 20.2 32.0 165 165 A A S < S- 0 0 2 -3,-1.3 2,-0.5 -7,-0.2 -43,-0.2 -0.664 79.7-126.6 -89.0 137.7 25.5 22.2 34.6 166 166 A K E -e 122 0A 65 -45,-1.7 -43,-2.6 -2,-0.3 2,-0.6 -0.713 29.3-140.1 -80.1 125.4 25.0 26.0 35.0 167 167 A L E -e 123 0A 0 -2,-0.5 34,-2.2 -45,-0.2 33,-2.2 -0.805 22.7-172.0 -96.0 120.8 28.4 27.6 34.8 168 168 A a E -ef 124 201A 0 -45,-3.3 -43,-1.3 -2,-0.6 -42,-1.0 -0.812 25.1-143.5-115.4 152.6 29.2 30.4 37.2 169 169 A Y E -ef 126 202A 0 32,-2.0 34,-3.9 -2,-0.3 2,-0.4 -0.955 30.4-162.5-105.6 126.6 32.0 32.9 37.6 170 170 A N E +ef 127 203A 0 -44,-2.3 -42,-2.8 -2,-0.5 2,-0.3 -0.931 20.6 143.9-118.2 136.4 32.4 33.4 41.4 171 171 A D E - f 0 204A 0 32,-1.8 34,-2.6 -2,-0.4 35,-0.3 -0.977 34.9-123.9-160.1 167.8 34.2 36.3 43.2 172 172 A Y S S+ 0 0 48 -2,-0.3 32,-0.0 32,-0.2 31,-0.0 -0.770 86.3 33.0-116.5 164.4 34.2 38.6 46.3 173 173 A N S S+ 0 0 22 -2,-0.3 9,-0.3 34,-0.1 -1,-0.2 0.792 86.3 107.9 60.5 27.8 34.1 42.4 46.6 174 174 A I + 0 0 0 -3,-0.3 -1,-0.1 7,-0.1 -2,-0.1 0.032 53.9 84.8-118.1 22.6 32.0 42.5 43.4 175 175 A E + 0 0 6 1,-0.1 2,-0.8 46,-0.0 46,-0.3 0.840 68.1 75.4 -92.0 -42.5 28.8 43.4 45.3 176 176 A N S > S- 0 0 26 1,-0.2 3,-1.8 45,-0.1 6,-0.3 -0.661 75.1-147.3 -76.8 112.8 29.1 47.2 45.6 177 177 A W T 3 S+ 0 0 58 -2,-0.8 -1,-0.2 1,-0.3 6,-0.1 0.757 92.5 58.6 -51.8 -29.8 28.4 48.5 42.1 178 178 A T T 3 S+ 0 0 97 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.687 81.0 105.0 -78.1 -17.5 30.7 51.5 42.4 179 179 A W S <> S- 0 0 91 -3,-1.8 4,-1.7 1,-0.1 3,-0.3 -0.396 73.4-133.2 -67.4 137.6 33.8 49.3 43.0 180 180 A A H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.857 106.1 59.2 -56.8 -38.3 36.2 49.0 40.1 181 181 A K H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 104.1 50.8 -59.0 -43.5 36.4 45.2 40.7 182 182 A T H > S+ 0 0 0 -9,-0.3 4,-2.3 -6,-0.3 -1,-0.2 0.917 111.7 47.0 -60.2 -44.0 32.7 44.9 40.1 183 183 A Q H X S+ 0 0 63 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.891 109.1 55.6 -65.0 -41.2 32.9 46.9 36.9 184 184 A G H X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.946 112.3 40.9 -56.3 -50.7 35.9 44.8 35.8 185 185 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.860 113.4 55.1 -66.1 -36.9 33.9 41.6 36.2 186 186 A Y H X S+ 0 0 36 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.945 107.6 48.4 -61.6 -49.5 30.8 43.2 34.7 187 187 A N H X S+ 0 0 78 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.909 111.9 50.9 -58.7 -41.7 32.6 44.2 31.5 188 188 A M H X S+ 0 0 14 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.968 112.0 44.5 -60.5 -55.1 34.1 40.7 31.2 189 189 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.894 112.8 53.1 -57.0 -41.6 30.7 38.9 31.5 190 190 A R H X S+ 0 0 101 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.940 110.7 47.0 -58.9 -47.5 29.2 41.4 29.1 191 191 A D H X S+ 0 0 57 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.935 111.0 51.7 -59.9 -47.5 31.9 40.7 26.6 192 192 A F H X>S+ 0 0 5 -4,-3.0 5,-2.8 1,-0.2 4,-0.6 0.908 110.2 48.8 -56.4 -45.2 31.5 36.9 27.1 193 193 A K H ><5S+ 0 0 67 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.899 111.8 48.5 -63.8 -40.9 27.7 37.2 26.5 194 194 A Q H 3<5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 116.1 43.7 -68.4 -32.4 28.2 39.2 23.3 195 195 A R H 3<5S- 0 0 105 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.413 116.0-112.2 -93.6 2.7 30.8 36.8 22.0 196 196 A G T <<5 + 0 0 51 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.681 53.9 166.6 78.1 16.8 28.8 33.7 22.9 197 197 A V < - 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0 0 18 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.197 27.7 -98.2 -67.3 154.1 21.8 43.1 89.7 651 714 B Y - 0 0 27 -8,-0.1 2,-0.3 2,-0.0 -318,-0.2 -0.416 41.4-166.9 -67.2 147.9 23.8 45.9 91.2 652 715 B N > - 0 0 40 -2,-0.1 3,-2.4 -320,-0.1 4,-0.2 -0.997 30.4-123.0-140.9 139.8 21.6 48.4 93.1 653 716 B S T > S+ 0 0 89 -2,-0.3 3,-1.8 1,-0.3 4,-0.4 0.757 105.1 75.7 -54.9 -24.9 22.5 51.9 94.3 654 717 B N T >> + 0 0 27 1,-0.3 4,-2.0 2,-0.2 3,-0.7 0.618 69.6 91.2 -65.9 -4.4 21.4 50.9 97.9 655 718 B F H <> S+ 0 0 1 -3,-2.4 4,-2.5 1,-0.3 -1,-0.3 0.880 78.8 60.6 -55.6 -36.4 24.7 48.9 98.0 656 719 B R H <> S+ 0 0 94 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.897 103.9 47.6 -59.7 -39.6 26.2 52.1 99.4 657 720 B T H <> S+ 0 0 53 -3,-0.7 4,-3.4 -4,-0.4 -1,-0.2 0.890 108.3 55.8 -69.4 -36.6 23.8 51.9 102.4 658 721 B T H X S+ 0 0 0 -4,-2.0 4,-2.5 -46,-0.3 5,-0.3 0.962 110.3 44.8 -57.3 -51.0 24.7 48.2 102.9 659 722 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.918 114.4 48.9 -59.6 -44.7 28.4 49.1 103.1 660 723 B Q H X S+ 0 0 96 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.910 109.7 53.5 -61.5 -42.3 27.6 52.0 105.5 661 724 B N H X S+ 0 0 51 -4,-3.4 4,-0.5 1,-0.2 -2,-0.2 0.926 113.2 40.6 -60.3 -47.4 25.4 49.7 107.6 662 725 B F H ><>S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 5,-0.8 0.906 111.8 56.5 -69.4 -39.0 28.1 47.1 108.1 663 726 B A H ><5S+ 0 0 12 -4,-2.6 3,-1.7 1,-0.3 4,-0.3 0.865 100.2 59.9 -58.5 -36.4 30.8 49.7 108.5 664 727 B A H 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.713 91.4 68.6 -65.7 -21.3 28.8 51.2 111.4 665 728 B L T <<5S- 0 0 30 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.529 123.6-101.2 -75.3 -4.8 29.0 47.8 113.2 666 729 B G T < 5S+ 0 0 33 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.785 85.5 114.1 91.2 27.8 32.7 48.5 113.7 667 730 B V < - 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