==== 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 OXIDOREDUCTASE 07-MAY-09 3HDL . COMPND 2 MOLECULE: ROYAL PALM TREE PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROYSTONEA REGIA; . AUTHOR L.WATANABE,P.R.MOURA,L.BLEICHER,A.S.NASCIMENTO,L.S.ZAMORANO, . 303 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 0.7 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 3 0 1 1 0 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 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 . 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 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 D 0 0 172 0, 0.0 120,-0.1 0, 0.0 289,-0.1 0.000 360.0 360.0 360.0 177.4 20.0 47.9 9.4 2 2 A L - 0 0 9 118,-0.1 2,-0.4 282,-0.1 120,-0.2 -0.366 360.0-164.4 -62.3 144.7 17.6 48.3 12.3 3 3 A Q E > -A 121 0A 123 118,-2.2 118,-2.3 116,-0.1 3,-1.0 -0.995 25.1-108.2-134.3 141.6 18.7 46.6 15.5 4 4 A I E 3 S+A 120 0A 79 -2,-0.4 4,-0.1 116,-0.3 114,-0.0 -0.454 107.4 19.5 -61.7 134.2 16.8 45.7 18.6 5 5 A G T > S+ 0 0 13 114,-0.6 3,-2.2 -2,-0.1 -1,-0.3 0.853 71.4 160.8 71.3 35.2 18.0 48.0 21.5 6 6 A F T < S+ 0 0 111 -3,-1.0 3,-0.4 1,-0.3 4,-0.4 0.823 77.7 50.1 -52.1 -32.4 19.4 50.6 19.2 7 7 A Y T 3> S+ 0 0 6 1,-0.2 4,-2.3 4,-0.1 -1,-0.3 0.189 70.9 122.3 -96.6 16.8 19.3 53.0 22.2 8 8 A N T <4 S+ 0 0 123 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.854 93.2 15.8 -43.4 -43.3 21.0 50.6 24.6 9 9 A T T 4 S+ 0 0 132 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.832 128.0 49.8-101.0 -44.7 23.6 53.2 25.2 10 10 A S T 4 S+ 0 0 57 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.749 134.1 3.0 -75.7 -26.0 22.2 56.5 23.9 11 11 A a >< + 0 0 2 -4,-2.3 3,-2.1 83,-0.1 4,-0.3 -0.405 64.5 178.1-159.2 78.4 18.9 56.2 25.7 12 12 A P T 3 S+ 0 0 99 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.764 86.6 43.0 -54.7 -31.9 18.6 53.1 28.0 13 13 A T T 3> S+ 0 0 67 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.289 80.4 110.0-100.2 9.8 15.1 54.0 29.2 14 14 A A H <> S+ 0 0 0 -3,-2.1 4,-1.7 -7,-0.2 -1,-0.2 0.912 81.8 41.8 -49.8 -52.9 13.7 55.1 25.8 15 15 A E H > S+ 0 0 52 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.842 113.7 51.6 -71.2 -33.0 11.3 52.1 25.4 16 16 A S H > S+ 0 0 50 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 108.1 53.1 -68.9 -38.4 10.1 52.1 29.0 17 17 A L H X S+ 0 0 34 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.906 111.1 45.8 -62.4 -42.5 9.3 55.8 28.8 18 18 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.940 111.4 52.1 -64.8 -46.0 7.2 55.3 25.7 19 19 A Q H X S+ 0 0 63 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.867 108.5 51.4 -60.3 -37.3 5.4 52.3 27.2 20 20 A Q H X S+ 0 0 112 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.865 110.2 48.4 -69.9 -35.5 4.5 54.3 30.3 21 21 A A H X S+ 0 0 20 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.901 114.3 46.4 -68.2 -41.0 3.0 57.1 28.2 22 22 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 111.9 50.9 -67.1 -43.8 1.0 54.6 26.2 23 23 A A H X S+ 0 0 30 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.901 110.7 48.9 -60.6 -42.7 -0.1 52.7 29.3 24 24 A A H X S+ 0 0 65 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.920 113.8 45.8 -63.1 -44.3 -1.3 56.0 30.9 25 25 A A H X S+ 0 0 19 -4,-2.1 4,-2.6 1,-0.2 7,-0.2 0.859 110.5 54.2 -66.5 -35.3 -3.2 57.0 27.8 26 26 A F H < S+ 0 0 49 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.874 104.9 53.1 -68.6 -38.8 -4.7 53.5 27.5 27 27 A A H < S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.871 114.1 44.1 -61.6 -37.1 -6.0 53.7 31.0 28 28 A N H < S+ 0 0 146 -4,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.881 137.3 2.5 -72.3 -41.5 -7.7 57.0 30.1 29 29 A N >< - 0 0 71 -4,-2.6 3,-1.8 -5,-0.1 -1,-0.3 -0.855 56.5-159.0-154.7 108.6 -9.0 55.7 26.7 30 30 A S T > S+ 0 0 65 -2,-0.3 3,-1.5 1,-0.3 -4,-0.1 0.695 86.5 78.9 -64.8 -18.1 -8.6 52.2 25.4 31 31 A G T 3> S+ 0 0 7 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.648 74.5 75.0 -65.2 -16.0 -9.1 53.5 21.9 32 32 A I H <> S+ 0 0 14 -3,-1.8 4,-2.5 -7,-0.2 -1,-0.3 0.785 86.8 64.2 -68.8 -23.1 -5.6 54.8 21.7 33 33 A A H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.2 5,-0.2 0.978 109.1 34.7 -65.2 -57.5 -4.4 51.2 21.3 34 34 A P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.901 116.4 60.0 -62.2 -36.4 -6.1 50.5 17.9 35 35 A G H X S+ 0 0 6 -4,-1.9 4,-2.1 1,-0.2 40,-0.3 0.930 108.9 41.1 -53.9 -48.3 -5.4 54.2 17.1 36 36 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 69,-0.2 0.851 113.1 52.1 -73.7 -36.5 -1.6 53.7 17.5 37 37 A I H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.942 114.1 44.4 -63.6 -45.6 -1.4 50.4 15.7 38 38 A R H X S+ 0 0 86 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.887 110.9 54.9 -64.8 -38.7 -3.3 51.8 12.7 39 39 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.904 107.2 49.5 -61.9 -41.1 -1.2 54.9 12.8 40 40 A H H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.911 110.3 51.5 -64.9 -42.0 2.0 52.9 12.6 41 41 A F H X S+ 0 0 44 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.947 110.3 48.3 -55.6 -49.5 0.5 51.0 9.6 42 42 A H H < S+ 0 0 3 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.812 111.0 52.0 -67.1 -29.0 -0.3 54.3 7.9 43 43 A D H >< S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.2 7,-0.3 0.980 110.8 46.4 -64.0 -55.6 3.3 55.5 8.6 44 44 A b H 3X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.3 5,-0.2 0.747 107.4 57.1 -64.4 -25.8 4.8 52.4 7.1 45 45 A F T 3< S+ 0 0 0 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.3 0.455 102.4 57.6 -87.8 -0.9 2.7 52.4 4.0 46 46 A V T <4 S- 0 0 1 -3,-1.7 4,-0.3 -4,-0.3 6,-0.2 -0.907 134.0 -26.4-130.4 108.8 3.6 55.9 2.8 47 47 A R T 4 S- 0 0 103 -2,-0.4 -2,-0.1 2,-0.1 5,-0.1 0.783 113.4 -81.2 60.2 25.7 7.3 56.6 2.3 48 48 A G S < S- 0 0 0 -4,-0.5 2,-2.1 1,-0.1 4,-0.4 0.071 76.6 -37.9 73.3 175.3 8.1 53.8 4.8 49 49 A b S S+ 0 0 0 236,-2.1 239,-0.3 -5,-0.2 -5,-0.2 -0.490 90.0 125.1 -76.0 79.9 8.2 54.0 8.6 50 50 A D S S- 0 0 6 -2,-2.1 76,-2.6 -4,-0.3 -1,-0.2 0.071 81.4-107.5-128.9 18.9 9.6 57.5 8.8 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.4 47,-0.2 4,-0.4 0.624 76.1 135.8 62.1 15.8 7.1 59.3 11.0 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.4 1,-0.3 12,-0.3 0.870 63.8 63.6 -61.0 -34.1 5.8 61.2 7.9 53 53 A V G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -7,-0.2 12,-0.1 0.723 94.3 62.6 -62.3 -21.4 2.2 60.6 9.0 54 54 A L G < S+ 0 0 4 -3,-1.4 -1,-0.3 10,-0.1 2,-0.2 0.641 77.5 108.0 -80.8 -15.6 2.9 62.7 12.2 55 55 A L < - 0 0 10 -3,-1.4 10,-0.6 -4,-0.4 246,-0.2 -0.453 66.3-130.9 -73.9 131.1 3.6 66.0 10.5 56 56 A D - 0 0 74 244,-2.6 8,-0.1 -2,-0.2 -1,-0.1 -0.464 27.8-104.4 -73.9 147.6 1.0 68.7 10.7 57 57 A S - 0 0 37 -2,-0.1 2,-0.2 6,-0.1 5,-0.2 -0.379 40.3-162.6 -64.8 152.2 -0.2 70.5 7.5 58 58 A T B > -B 61 0B 86 3,-2.7 3,-1.0 -2,-0.1 5,-0.1 -0.728 38.3 -85.0-128.7 179.3 1.2 74.0 7.0 59 59 A A T 3 S+ 0 0 103 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.835 129.4 30.9 -54.7 -34.4 0.4 77.0 4.9 60 60 A N T 3 S+ 0 0 163 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.351 119.0 53.9-109.7 3.4 2.4 75.6 2.0 61 61 A N B < -B 58 0B 55 -3,-1.0 -3,-2.7 69,-0.0 2,-0.9 -0.940 59.1-153.6-148.0 119.6 2.0 71.9 2.5 62 62 A T - 0 0 87 -2,-0.4 69,-2.7 -5,-0.2 70,-0.4 -0.829 33.8-152.5 -92.2 107.9 -1.1 69.7 2.9 63 63 A A > - 0 0 0 -2,-0.9 3,-2.0 67,-0.3 67,-0.2 -0.125 29.6 -94.4 -82.8 172.5 0.3 66.7 4.9 64 64 A E G > S+ 0 0 0 -12,-0.3 3,-2.4 1,-0.3 6,-0.2 0.823 115.9 74.3 -53.4 -34.2 -0.8 63.1 5.1 65 65 A K G 3 S+ 0 0 33 -10,-0.6 -1,-0.3 1,-0.3 9,-0.2 0.774 95.6 49.6 -49.3 -32.8 -2.9 64.0 8.2 66 66 A D G < S+ 0 0 68 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.364 84.2 119.2 -96.0 4.9 -5.5 65.6 5.9 67 67 A A S X> S- 0 0 1 -3,-2.4 4,-2.6 -4,-0.2 3,-1.1 -0.293 78.6-106.5 -65.6 156.5 -5.8 62.7 3.4 68 68 A I T 34 S+ 0 0 93 1,-0.3 5,-0.3 2,-0.2 -1,-0.1 0.903 119.7 45.0 -51.1 -51.7 -9.1 61.0 3.0 69 69 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.698 120.4 42.5 -68.4 -15.1 -8.2 57.8 4.9 70 70 A N T <> S+ 0 0 3 -3,-1.1 4,-2.6 -6,-0.2 -2,-0.2 0.763 86.5 102.0-104.6 -32.0 -6.6 59.9 7.7 71 71 A N T < S- 0 0 53 -4,-2.6 -1,-0.2 1,-0.3 143,-0.1 -0.916 103.6 -12.5-110.9 121.7 -8.8 62.8 8.5 72 72 A P T 4 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.913 127.3 70.7-100.8 19.9 -10.5 62.7 10.9 73 73 A S T 4 S+ 0 0 27 -5,-0.3 -2,-0.2 2,-0.0 -3,-0.1 0.783 72.4 94.0 -73.7 -30.8 -10.1 58.9 11.6 74 74 A L < + 0 0 12 -4,-2.6 2,-0.3 -9,-0.2 -38,-0.1 -0.355 54.7 174.4 -60.5 140.2 -6.5 58.8 12.8 75 75 A R + 0 0 88 -40,-0.3 -36,-0.2 1,-0.1 -37,-0.1 -0.997 42.0 61.7-149.9 151.6 -6.2 59.0 16.6 76 76 A G >> + 0 0 12 -2,-0.3 4,-1.5 -41,-0.1 3,-0.9 0.402 54.7 129.5 114.8 3.0 -3.5 58.8 19.2 77 77 A F H 3> S+ 0 0 48 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.864 72.0 57.2 -56.3 -37.8 -1.3 61.8 18.1 78 78 A E H 3> S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.804 101.3 55.8 -67.0 -29.9 -1.4 63.1 21.7 79 79 A V H <> S+ 0 0 8 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.905 107.9 48.2 -67.8 -41.8 0.1 59.9 23.0 80 80 A I H X S+ 0 0 2 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.924 111.6 50.6 -63.0 -43.7 3.1 60.2 20.7 81 81 A T H X S+ 0 0 53 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 111.9 47.2 -58.6 -44.9 3.5 63.9 21.7 82 82 A A H X S+ 0 0 40 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.902 113.7 47.1 -64.8 -42.8 3.5 62.8 25.4 83 83 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.926 112.3 50.0 -64.7 -44.7 5.9 60.0 24.8 84 84 A K H X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.864 107.2 55.4 -61.1 -38.8 8.2 62.3 22.8 85 85 A S H X S+ 0 0 83 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.933 111.4 43.9 -59.1 -46.8 8.1 64.9 25.6 86 86 A A H X S+ 0 0 36 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.921 114.6 48.2 -65.4 -46.1 9.3 62.4 28.1 87 87 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.884 109.7 51.8 -66.2 -39.4 12.0 60.9 25.9 88 88 A E H < S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.4 50.1 -64.6 -33.9 13.4 64.3 24.9 89 89 A A H < S+ 0 0 86 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.866 118.1 38.6 -70.4 -36.1 13.6 65.2 28.6 90 90 A A H < S+ 0 0 55 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.811 136.9 13.2 -84.8 -33.7 15.4 62.0 29.4 91 91 A a S >X S- 0 0 12 -4,-3.0 3,-1.1 -5,-0.2 4,-0.6 -0.615 86.1-138.5-147.1 80.4 17.6 61.8 26.3 92 92 A P T 34 S- 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.043 76.5 -12.2 -47.1 130.8 17.7 65.1 24.3 93 93 A Q T 34 S+ 0 0 139 1,-0.1 202,-0.1 2,-0.1 3,-0.1 0.807 108.9 103.0 51.3 43.0 17.6 64.8 20.5 94 94 A T T <4 + 0 0 37 -3,-1.1 2,-0.5 1,-0.2 -1,-0.1 0.757 57.4 64.3-119.9 -49.6 18.2 61.1 20.5 95 95 A V S < S- 0 0 0 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.716 74.6-130.5 -94.8 125.6 15.1 59.0 19.9 96 96 A S > - 0 0 0 -2,-0.5 4,-2.2 27,-0.3 5,-0.1 -0.350 11.7-129.9 -72.4 149.7 13.3 59.3 16.5 97 97 A c H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.847 110.8 59.7 -61.9 -33.6 9.5 59.9 16.3 98 98 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 107.2 44.0 -62.2 -43.7 9.5 56.9 13.8 99 99 A D H > S+ 0 0 0 24,-0.3 4,-3.2 2,-0.2 5,-0.2 0.901 110.5 55.4 -66.5 -42.4 10.9 54.6 16.5 100 100 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.914 108.3 48.3 -57.8 -42.5 8.5 56.0 19.1 101 101 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.911 112.5 48.3 -65.4 -42.6 5.5 55.2 16.9 102 102 A A H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.918 113.8 47.1 -61.9 -45.7 6.8 51.7 16.3 103 103 A F H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.917 111.3 52.2 -58.3 -45.1 7.4 51.2 20.0 104 104 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.848 106.1 52.3 -66.0 -36.5 4.0 52.6 20.8 105 105 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -69,-0.2 -1,-0.2 0.908 110.9 48.7 -65.1 -40.5 2.2 50.2 18.4 106 106 A R H X S+ 0 0 20 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.929 110.9 49.6 -62.6 -46.1 4.0 47.3 20.1 107 107 A D H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.862 109.8 52.9 -61.1 -35.8 3.0 48.6 23.5 108 108 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.886 105.8 51.9 -67.1 -41.8 -0.6 48.9 22.3 109 109 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 6,-1.6 0.856 110.8 50.0 -61.6 -35.7 -0.6 45.3 21.1 110 110 A N H X S+ 0 0 52 -4,-1.8 4,-1.9 4,-0.3 -2,-0.2 0.922 113.4 44.0 -69.0 -44.6 0.6 44.2 24.5 111 111 A L H < S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 120.8 39.9 -67.7 -38.9 -2.1 46.3 26.3 112 112 A A H < S+ 0 0 12 -4,-2.6 118,-2.4 -5,-0.1 -1,-0.2 0.712 139.5 3.4 -86.1 -23.9 -5.0 45.2 24.0 113 113 A G H < S- 0 0 23 -4,-1.7 -3,-0.2 116,-0.2 -2,-0.2 0.351 90.7-110.2-147.0 7.8 -4.1 41.5 23.5 114 114 A N < + 0 0 136 -4,-1.9 2,-0.6 1,-0.2 -4,-0.3 0.818 69.6 146.0 58.7 29.1 -1.1 40.5 25.6 115 115 A I + 0 0 10 -6,-1.6 2,-0.3 -9,-0.1 -1,-0.2 -0.893 23.0 174.4 -96.9 117.4 0.9 40.3 22.3 116 116 A T + 0 0 89 -2,-0.6 2,-0.3 -3,-0.1 160,-0.1 -0.931 10.6 153.6-129.4 153.1 4.5 41.3 22.9 117 117 A Y - 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0 0 12 44,-2.3 4,-3.0 -2,-0.4 5,-0.2 -0.293 26.4-139.4 -49.3 126.0 -25.4 38.8 7.7 198 198 A P H > S+ 0 0 103 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.825 104.1 51.6 -59.8 -31.4 -28.8 40.3 7.0 199 199 A S H > S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.895 111.2 45.7 -73.7 -39.5 -29.4 40.6 10.7 200 200 A Y H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 112.7 52.7 -63.7 -44.6 -26.1 42.4 11.3 201 201 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.895 104.7 55.0 -58.4 -43.6 -26.9 44.6 8.3 202 202 A A H X S+ 0 0 48 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.914 111.6 43.6 -57.4 -45.7 -30.3 45.5 9.8 203 203 A L H X S+ 0 0 116 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.878 112.5 52.3 -68.9 -39.5 -28.7 46.7 13.0 204 204 A L H >X S+ 0 0 5 -4,-2.5 4,-3.0 1,-0.2 3,-0.8 0.895 106.5 54.3 -62.0 -40.8 -25.9 48.6 11.1 205 205 A R H 3< S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 104.3 54.6 -61.5 -35.3 -28.5 50.4 9.0 206 206 A N H 3< S+ 0 0 140 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.703 117.4 37.1 -72.3 -18.5 -30.3 51.6 12.2 207 207 A T H << S+ 0 0 71 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.777 115.4 53.0 -99.5 -35.5 -26.9 53.1 13.4 208 208 A d S < S- 0 0 1 -4,-3.0 -1,-0.2 -5,-0.1 2,-0.1 -0.908 72.9-144.7-114.9 113.6 -25.5 54.3 10.1 209 209 A P > - 0 0 52 0, 0.0 3,-1.7 0, 0.0 -29,-0.1 -0.378 24.2-119.1 -69.0 151.0 -27.4 56.7 7.7 210 210 A A T 3 S+ 0 0 59 1,-0.3 -26,-0.1 -5,-0.1 -27,-0.0 0.774 112.4 58.7 -61.5 -27.2 -26.9 56.3 4.0 211 211 A N T 3 S+ 0 0 132 2,-0.0 -1,-0.3 -31,-0.0 -34,-0.1 0.266 76.7 138.3 -90.8 15.1 -25.5 59.8 3.8 212 212 A S < - 0 0 13 -3,-1.7 2,-0.2 -36,-0.1 -32,-0.1 -0.274 30.2-173.1 -57.3 139.6 -22.7 59.2 6.2 213 213 A T > - 0 0 71 -35,-0.0 3,-1.7 0, 0.0 -36,-0.5 -0.731 45.4 -89.4-123.2 178.2 -19.3 60.7 5.3 214 214 A R T 3 S+ 0 0 73 1,-0.3 -2,-0.1 -2,-0.2 -36,-0.0 0.720 128.7 54.4 -61.3 -19.2 -15.8 60.4 6.9 215 215 A F T 3 S+ 0 0 106 2,-0.1 -1,-0.3 -143,-0.0 -3,-0.0 0.531 76.8 109.8 -92.9 -8.2 -16.8 63.3 9.1 216 216 A T S < S- 0 0 32 -3,-1.7 2,-2.5 1,-0.1 -40,-0.3 -0.608 71.8-136.6 -71.0 115.0 -20.0 61.7 10.4 217 217 A P + 0 0 119 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.214 66.9 111.6 -76.4 51.2 -19.1 61.0 14.0 218 218 A I + 0 0 52 -2,-2.5 -42,-2.2 2,-0.0 2,-0.3 -0.989 41.2 175.3-125.6 121.9 -20.6 57.6 14.2 219 219 A T E -D 175 0D 62 -2,-0.5 2,-0.4 -44,-0.2 -44,-0.2 -0.885 14.9-155.8-126.4 158.3 -18.3 54.6 14.5 220 220 A V E -D 174 0D 24 -46,-2.5 -46,-2.3 -2,-0.3 4,-0.0 -0.994 31.8-100.7-135.3 137.2 -18.9 50.8 14.9 221 221 A S E -D 173 0D 46 -2,-0.4 -48,-0.3 -48,-0.2 3,-0.1 -0.333 23.6-142.6 -57.0 132.7 -16.5 48.2 16.4 222 222 A L S S+ 0 0 16 -50,-2.2 2,-0.7 1,-0.2 22,-0.5 0.842 92.1 49.1 -65.1 -36.1 -14.8 46.2 13.7 223 223 A D - 0 0 4 -51,-0.5 -1,-0.2 4,-0.2 11,-0.1 -0.911 63.9-172.5-111.9 108.6 -15.0 43.0 15.7 224 224 A I S S+ 0 0 83 -2,-0.7 -1,-0.1 18,-0.3 -2,-0.1 0.679 82.7 56.0 -72.9 -15.9 -18.5 42.3 17.0 225 225 A I S S- 0 0 63 1,-0.2 -1,-0.1 8,-0.1 9,-0.1 0.979 130.5 -1.0 -82.8 -63.6 -17.3 39.3 19.1 226 226 A T S > S+ 0 0 36 3,-0.1 3,-1.7 -56,-0.1 5,-0.2 -0.651 70.9 177.8-125.7 78.6 -14.5 40.8 21.3 227 227 A P T 3 S+ 0 0 53 0, 0.0 -55,-0.8 0, 0.0 -5,-0.2 0.674 80.0 36.8 -59.1 -20.4 -14.3 44.5 20.3 228 228 A S T 3 S+ 0 0 84 -57,-0.2 2,-0.5 -7,-0.1 -57,-0.1 0.303 98.8 85.5-117.9 10.4 -11.6 45.4 22.8 229 229 A V S < S- 0 0 60 -3,-1.7 2,-2.0 -59,-0.4 -116,-0.2 -0.948 70.4-139.1-113.8 124.4 -9.4 42.3 22.8 230 230 A L + 0 0 2 -118,-2.4 2,-0.2 -2,-0.5 -59,-0.1 -0.571 61.9 121.9 -78.4 80.8 -6.7 41.9 20.2 231 231 A D S > S- 0 0 18 -2,-2.0 3,-0.6 -5,-0.2 -61,-0.1 -0.539 79.5 -86.5-126.9-166.9 -7.3 38.2 19.6 232 232 A N T >> S+ 0 0 16 1,-0.2 4,-1.2 -2,-0.2 3,-1.1 0.302 93.1 103.0 -92.3 9.7 -8.3 36.0 16.7 233 233 A M H 3> + 0 0 71 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.719 67.9 72.5 -67.3 -19.3 -12.0 36.5 17.0 234 234 A Y H <> S+ 0 0 6 -3,-0.6 4,-2.1 1,-0.2 -1,-0.3 0.922 99.5 46.9 -55.9 -43.2 -11.8 38.8 14.0 235 235 A Y H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.908 108.5 52.7 -68.5 -43.7 -11.3 35.7 11.9 236 236 A T H X S+ 0 0 36 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.905 111.0 48.8 -59.7 -38.1 -14.1 33.8 13.4 237 237 A G H ><>S+ 0 0 3 -4,-2.5 5,-2.7 1,-0.2 3,-1.1 0.908 107.3 54.6 -65.8 -41.2 -16.4 36.8 12.7 238 238 A V H ><5S+ 0 0 4 -4,-2.1 3,-1.0 4,-0.3 5,-0.3 0.875 106.9 51.2 -60.8 -36.9 -15.2 36.9 9.1 239 239 A Q H 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.632 107.9 53.8 -73.3 -14.9 -16.1 33.3 8.6 240 240 A L T <<5S- 0 0 100 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.160 120.6-101.5-108.4 17.2 -19.6 33.8 9.9 241 241 A T T < 5S+ 0 0 65 -3,-1.0 -44,-2.3 -45,-0.1 -3,-0.2 0.660 97.4 111.8 67.3 20.3 -20.5 36.7 7.6 242 242 A L < + 0 0 41 -5,-2.7 -18,-0.3 -6,-0.2 -4,-0.3 0.354 33.2 124.0-104.4 3.2 -19.8 39.1 10.4 243 243 A G - 0 0 6 -6,-0.7 -46,-0.1 -5,-0.3 6,-0.1 -0.490 51.2-153.7 -60.8 133.6 -16.8 40.8 8.9 244 244 A L + 0 0 1 -22,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.924 65.5 58.7 -84.2 -48.8 -17.6 44.5 8.8 245 245 A L S > S- 0 0 13 1,-0.1 4,-2.3 -23,-0.1 3,-0.5 -0.506 79.8-124.3 -83.8 151.9 -15.5 45.9 5.9 246 246 A T H > S+ 0 0 25 -68,-0.4 4,-2.1 1,-0.2 -104,-0.2 0.917 118.2 52.7 -53.9 -42.3 -15.7 44.9 2.3 247 247 A S H 4 S+ 0 0 14 -106,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.743 106.0 54.0 -68.1 -24.7 -12.0 44.3 2.6 248 248 A D H >4 S+ 0 0 2 -3,-0.5 3,-1.5 -107,-0.2 -2,-0.2 0.948 110.9 43.7 -70.1 -52.8 -12.6 42.1 5.7 249 249 A Q H >< S+ 0 0 37 -4,-2.3 3,-2.4 1,-0.3 -2,-0.2 0.828 99.6 73.7 -62.3 -32.4 -15.1 39.9 3.8 250 250 A A G >< S+ 0 0 3 -4,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.774 80.5 75.0 -49.0 -28.1 -12.7 39.8 0.9 251 251 A L G < S+ 0 0 0 -3,-1.5 10,-0.3 -4,-0.4 -1,-0.3 0.592 96.9 45.2 -69.0 -10.5 -10.5 37.5 2.9 252 252 A V G < S+ 0 0 42 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.162 91.4 83.7-115.1 19.5 -12.8 34.6 2.4 253 253 A T S < S+ 0 0 75 -3,-1.9 2,-0.4 1,-0.1 -2,-0.1 0.409 88.6 52.5-100.7 -0.4 -13.3 35.1 -1.4 254 254 A E S > S- 0 0 76 -4,-0.2 4,-3.2 -3,-0.2 3,-0.4 -1.000 82.9-122.8-139.9 138.8 -10.2 33.3 -2.4 255 255 A A H > S+ 0 0 84 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.839 108.6 43.1 -43.6 -55.1 -9.0 29.7 -1.5 256 256 A N H > S+ 0 0 139 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.863 116.9 46.6 -66.7 -37.8 -5.6 30.6 0.0 257 257 A L H > S+ 0 0 4 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.931 111.5 52.0 -67.8 -45.0 -7.0 33.6 2.0 258 258 A S H X S+ 0 0 37 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.869 108.3 51.6 -58.3 -40.0 -9.9 31.6 3.2 259 259 A A H X S+ 0 0 58 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.877 109.9 49.3 -65.7 -38.6 -7.6 28.8 4.4 260 260 A A H X S+ 0 0 10 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.903 109.9 50.7 -66.7 -42.8 -5.5 31.4 6.3 261 261 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -10,-0.3 -2,-0.2 0.932 111.6 48.9 -58.2 -46.1 -8.6 32.9 7.9 262 262 A K H X S+ 0 0 125 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.918 111.7 48.4 -59.7 -46.2 -9.7 29.4 9.0 263 263 A A H X S+ 0 0 50 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.897 112.9 47.5 -63.6 -42.1 -6.3 28.6 10.4 264 264 A N H < S+ 0 0 4 -4,-2.6 3,-0.3 1,-0.2 7,-0.3 0.873 109.4 52.8 -68.3 -37.9 -6.1 31.9 12.4 265 265 A A H < S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 110.5 50.1 -66.2 -26.8 -9.6 31.4 13.8 266 266 A M H < S+ 0 0 145 -4,-1.3 2,-0.4 1,-0.2 -1,-0.2 0.690 115.6 37.7 -84.5 -24.2 -8.7 28.0 15.0 267 267 A N X + 0 0 78 -4,-1.0 4,-2.3 -3,-0.3 -1,-0.2 -0.797 51.4 179.7-142.4 98.0 -5.5 28.9 16.8 268 268 A L H > S+ 0 0 83 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.914 88.2 52.2 -59.4 -47.9 -4.9 32.1 18.8 269 269 A T H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 111.2 47.5 -58.3 -43.5 -1.4 31.3 19.8 270 270 A A H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 115.0 44.4 -66.0 -47.2 -0.3 30.6 16.2 271 271 A W H X S+ 0 0 0 -4,-2.3 4,-3.0 -7,-0.3 -2,-0.2 0.926 111.1 54.0 -62.8 -45.5 -2.0 33.8 14.9 272 272 A A H X S+ 0 0 19 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.883 108.8 49.0 -58.2 -40.7 -0.6 36.0 17.7 273 273 A S H X S+ 0 0 62 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.916 113.0 47.0 -65.2 -42.8 2.9 34.8 17.0 274 274 A K H X S+ 0 0 75 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.867 109.9 54.2 -65.8 -37.1 2.5 35.5 13.3 275 275 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.941 108.2 48.8 -62.5 -47.3 1.0 38.9 14.1 276 276 A A H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.938 113.8 46.7 -56.5 -47.6 4.0 39.9 16.2 277 277 A Q H X S+ 0 0 122 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.896 112.8 49.2 -62.9 -41.2 6.4 38.7 13.4 278 278 A A H X S+ 0 0 3 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.865 107.8 53.9 -68.9 -36.6 4.4 40.6 10.7 279 279 A M H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.918 108.6 50.4 -61.0 -43.6 4.3 43.8 12.8 280 280 A V H < S+ 0 0 32 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 112.7 46.1 -60.9 -41.9 8.1 43.6 13.0 281 281 A K H >< S+ 0 0 70 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.914 111.3 51.4 -67.3 -42.9 8.4 43.1 9.2 282 282 A M H >< S+ 0 0 4 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.894 102.7 61.4 -59.7 -39.4 5.9 46.0 8.6 283 283 A G T 3< S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.365 99.8 55.9 -73.5 6.7 7.9 48.3 10.8 284 284 A Q T X S+ 0 0 79 -3,-1.6 3,-0.8 -5,-0.1 2,-0.4 0.264 72.7 132.1-120.0 11.9 11.0 47.9 8.5 285 285 A I T < S- 0 0 3 -3,-1.7 -236,-2.1 1,-0.3 -129,-0.1 -0.507 89.1 -28.1 -68.9 119.3 9.4 49.0 5.3 286 286 A E T 3 S- 0 0 106 -2,-0.4 -1,-0.3 -238,-0.2 2,-0.1 0.815 89.1-178.0 45.1 47.6 11.5 51.6 3.5 287 287 A V < - 0 0 33 -3,-0.8 2,-0.4 -239,-0.1 -1,-0.1 -0.436 26.2-128.0 -79.3 148.3 13.1 52.9 6.7 288 288 A L + 0 0 42 -164,-0.5 -164,-1.9 -239,-0.3 2,-0.3 -0.789 38.4 174.2 -89.3 138.1 15.6 55.8 6.9 289 289 A T > + 0 0 47 -2,-0.4 3,-2.3 -166,-0.2 2,-0.5 -0.851 38.0 10.4-138.9 172.5 18.8 54.8 8.8 290 290 A G T 3 S- 0 0 58 -168,-0.3 -2,-0.0 1,-0.3 -168,-0.0 -0.418 130.7 -14.6 65.2-111.6 22.2 56.1 9.8 291 291 A T T 3 S+ 0 0 133 -2,-0.5 -1,-0.3 -167,-0.1 2,-0.1 0.339 105.4 118.4-107.3 2.2 22.5 59.8 8.9 292 292 A Q S < S- 0 0 101 -3,-2.3 -167,-0.1 2,-0.0 -4,-0.1 -0.381 79.4 -13.2 -65.5 147.9 19.5 59.8 6.6 293 293 A G S S- 0 0 41 -169,-0.1 2,-0.3 -2,-0.1 -167,-0.2 -0.161 91.5 -90.2 55.9-149.6 16.7 62.1 7.7 294 294 A E B -C 125 0C 38 -169,-2.2 -169,-3.0 -6,-0.0 2,-0.8 -0.869 24.6 -96.2-146.0 173.8 16.8 63.6 11.2 295 295 A I - 0 0 26 -2,-0.3 2,-0.2 -171,-0.2 -199,-0.1 -0.907 46.9-143.2 -95.3 101.3 15.8 63.1 14.8 296 296 A R - 0 0 0 -2,-0.8 3,-0.2 1,-0.2 -199,-0.1 -0.499 12.3-162.9 -66.8 129.2 12.7 65.2 14.8 297 297 A T S S+ 0 0 56 1,-0.3 2,-0.5 -2,-0.2 -1,-0.2 0.829 84.8 35.9 -83.1 -35.4 12.4 67.1 18.1 298 298 A N B > S-E 301 0E 80 3,-0.5 3,-2.2 1,-0.1 -1,-0.3 -0.977 78.9-149.6-118.9 110.9 8.7 68.0 17.8 299 299 A c T 3 S+ 0 0 5 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.689 93.0 59.6 -58.5 -17.9 7.0 65.1 16.1 300 300 A S T 3 S+ 0 0 23 -245,-0.2 -244,-2.6 1,-0.1 2,-0.3 0.535 109.9 34.7 -89.3 -8.3 4.4 67.4 14.5 301 301 A V B < S-E 298 0E 65 -3,-2.2 -3,-0.5 -246,-0.2 -4,-0.2 -1.000 82.9-106.8-149.5 144.1 6.9 69.6 12.6 302 302 A V 0 0 59 -2,-0.3 -175,-0.1 1,-0.1 -2,-0.0 -0.314 360.0 360.0 -65.2 154.1 10.2 69.1 10.7 303 303 A N 0 0 101 -6,-0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.332 360.0 360.0 -65.9 360.0 13.3 70.5 12.4