==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-FEB-99 1B80 . COMPND 2 MOLECULE: PROTEIN (RECOMBINANT LIGNIN PEROXIDASE H8); . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR W.BLODIG,A.T.SMITH,W.A.DOYLE,K.PIONTEK . 694 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 5 3 4 2 0 0 0 2 2 0 5 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 8 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 . 8 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 -4 A V 0 0 113 0, 0.0 2,-0.6 0, 0.0 286,-0.1 0.000 360.0 360.0 360.0 102.4 32.0 19.0 50.1 2 -3 A I - 0 0 108 679,-0.1 2,-0.4 656,-0.0 681,-0.1 -0.837 360.0-153.9 -92.6 117.9 34.0 21.4 47.8 3 -2 A E - 0 0 80 -2,-0.6 2,-0.7 13,-0.1 13,-0.2 -0.760 5.1-155.9 -98.3 139.1 34.1 25.0 49.2 4 -1 A K - 0 0 106 -2,-0.4 13,-1.0 2,-0.0 10,-0.1 -0.832 15.2-140.2-116.9 97.1 34.5 28.0 47.0 5 0 A R + 0 0 204 -2,-0.7 2,-0.3 11,-0.2 10,-0.2 -0.283 36.1 174.9 -54.2 133.2 36.0 31.0 48.9 6 1 A A E -A 14 0A 22 8,-2.2 8,-2.8 10,-0.1 2,-0.5 -0.980 38.5-125.0-149.7 154.8 34.2 34.1 47.7 7 2 A T E -A 13 0A 97 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.870 36.4-141.0 -99.5 123.8 33.7 37.9 48.1 8 3 A a > - 0 0 10 4,-3.1 3,-2.9 -2,-0.5 9,-0.0 -0.476 27.1-100.3 -81.1 169.1 30.1 38.7 48.7 9 4 A S T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.827 123.3 60.9 -58.2 -31.1 28.2 41.7 47.3 10 5 A N T 3 S- 0 0 75 2,-0.1 -1,-0.3 10,-0.1 3,-0.1 0.504 121.2-108.8 -73.9 -4.9 28.7 43.5 50.7 11 6 A G S < S+ 0 0 50 -3,-2.9 2,-0.3 1,-0.3 -2,-0.1 0.472 78.2 126.8 94.5 2.3 32.5 43.2 50.1 12 7 A K - 0 0 118 8,-0.1 -4,-3.1 -5,-0.0 2,-0.4 -0.753 55.2-131.5 -95.5 144.0 33.2 40.6 52.8 13 8 A T E -A 7 0A 53 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.716 27.6-177.4 -95.4 137.9 35.0 37.4 52.0 14 9 A V E -A 6 0A 0 -8,-2.8 -8,-2.2 -2,-0.4 276,-0.1 -0.910 38.6-109.9-129.8 165.0 33.6 34.1 53.2 15 10 A G S S+ 0 0 21 -2,-0.3 2,-0.3 274,-0.3 275,-0.1 0.700 101.9 19.3 -66.2 -26.8 34.6 30.4 53.1 16 11 A D S > S- 0 0 21 -13,-0.2 3,-1.9 -11,-0.1 4,-0.4 -0.995 72.0-126.9-147.8 139.4 31.9 29.4 50.5 17 12 A A G > S+ 0 0 39 -13,-1.0 3,-1.4 -2,-0.3 4,-0.3 0.819 107.2 67.0 -57.6 -28.4 29.9 31.4 48.1 18 13 A S G > S+ 0 0 61 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.712 89.4 67.8 -64.8 -18.0 26.6 29.9 49.5 19 14 A b G X S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.2 4,-0.5 0.751 79.5 78.5 -72.1 -24.1 27.3 31.8 52.8 20 15 A a G X S+ 0 0 32 -3,-1.4 3,-1.5 -4,-0.4 4,-0.5 0.857 84.4 61.3 -58.1 -33.8 26.7 35.2 51.1 21 16 A A G X> S+ 0 0 58 -3,-0.6 4,-1.2 -4,-0.3 3,-1.0 0.798 92.0 67.8 -65.7 -27.1 22.9 34.7 51.3 22 17 A W H <> S+ 0 0 16 -3,-1.2 4,-2.8 -4,-0.3 -1,-0.3 0.727 85.2 69.3 -67.5 -16.9 23.1 34.5 55.1 23 18 A F H <> S+ 0 0 21 -3,-1.5 4,-2.2 -4,-0.5 -1,-0.2 0.885 100.5 48.1 -67.0 -34.5 24.1 38.2 55.3 24 19 A D H <> S+ 0 0 102 -3,-1.0 4,-1.9 -4,-0.5 -1,-0.2 0.871 111.4 49.8 -69.5 -39.0 20.6 39.2 54.2 25 20 A V H X S+ 0 0 2 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.932 110.5 52.3 -61.6 -45.4 19.2 36.8 56.8 26 21 A L H X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.920 109.7 46.1 -55.1 -53.8 21.4 38.4 59.4 27 22 A D H X S+ 0 0 102 -4,-2.2 4,-1.6 2,-0.2 5,-0.2 0.895 112.9 51.6 -59.6 -38.8 20.3 42.0 58.6 28 23 A D H X S+ 0 0 17 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.980 114.8 39.6 -64.3 -52.4 16.7 40.9 58.6 29 24 A I H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-2.3 0.840 110.2 58.5 -70.4 -31.9 16.7 39.1 62.0 30 25 A Q H <5S+ 0 0 35 -4,-2.4 6,-2.4 -5,-0.3 7,-1.7 0.916 119.3 31.4 -60.5 -41.3 19.0 41.7 63.7 31 26 A Q H <5S+ 0 0 145 -4,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.897 132.1 30.4 -80.8 -44.2 16.4 44.4 63.0 32 27 A N H <5S+ 0 0 91 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.457 129.9 27.7-102.9 -4.0 13.2 42.4 63.1 33 28 A L T <5S+ 0 0 5 -4,-2.3 -3,-0.2 -5,-0.3 9,-0.2 0.643 128.5 34.6-121.2 -44.5 13.8 39.6 65.6 34 29 A F S > S- 0 0 18 -2,-0.6 4,-2.7 -6,-0.1 5,-0.2 -0.158 81.9 -50.3-105.9-154.2 17.1 40.4 75.3 41 36 A A H > S+ 0 0 12 1,-0.2 4,-2.6 303,-0.2 5,-0.2 0.894 131.8 47.6 -54.2 -50.8 14.1 38.1 75.4 42 37 A E H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 112.4 50.6 -64.1 -35.5 14.1 36.9 71.8 43 38 A A H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.954 112.0 47.6 -63.7 -48.9 17.9 36.3 71.8 44 39 A H H X S+ 0 0 16 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.920 111.6 49.8 -56.6 -50.1 17.5 34.2 75.0 45 40 A E H X S+ 0 0 16 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.911 108.9 53.1 -55.8 -40.1 14.6 32.2 73.6 46 41 A S H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.836 107.9 50.2 -65.1 -36.8 16.6 31.6 70.4 47 42 A I H X S+ 0 0 12 -4,-2.0 4,-1.1 2,-0.2 3,-0.4 0.934 111.5 48.8 -66.4 -46.6 19.6 30.2 72.4 48 43 A R H X S+ 0 0 83 -4,-2.4 4,-1.8 1,-0.2 3,-0.4 0.907 105.2 59.0 -55.6 -45.2 17.2 27.9 74.3 49 44 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.871 96.7 61.4 -57.5 -36.8 15.6 26.7 71.1 50 45 A V H X S+ 0 0 4 -4,-1.3 4,-2.6 -3,-0.4 -1,-0.2 0.932 107.2 44.6 -56.1 -47.5 19.0 25.4 69.8 51 46 A F H X S+ 0 0 50 -4,-1.1 4,-2.2 -3,-0.4 5,-0.2 0.922 113.2 49.2 -67.1 -39.5 19.2 23.0 72.7 52 47 A H H < S+ 0 0 15 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.762 114.8 45.6 -71.3 -27.1 15.5 21.8 72.5 53 48 A D H < S+ 0 0 1 -4,-2.4 3,-0.4 -5,-0.2 20,-0.3 0.939 120.6 38.8 -72.4 -52.1 15.9 21.2 68.7 54 49 A S H < S+ 0 0 3 -4,-2.6 18,-0.3 -5,-0.3 -2,-0.2 0.800 105.3 57.1 -72.2 -41.6 19.3 19.4 69.0 55 50 A I S < S+ 0 0 0 -4,-2.2 2,-2.4 -5,-0.2 -1,-0.2 0.739 79.0 97.5 -72.7 -11.4 19.2 17.2 72.1 56 51 A A + 0 0 3 -3,-0.4 15,-1.6 -4,-0.3 2,-0.3 -0.434 60.4 103.6 -77.9 68.9 16.2 15.3 70.9 57 52 A I - 0 0 26 -2,-2.4 12,-0.2 13,-0.2 13,-0.1 -0.974 46.3-174.0-151.9 136.2 18.2 12.4 69.4 58 53 A S > + 0 0 4 11,-0.5 4,-2.3 -2,-0.3 3,-0.3 -0.671 20.2 179.3-147.1 97.7 18.7 9.0 70.9 59 54 A P H > S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.868 91.3 61.5 -59.2 -36.6 21.0 6.2 69.7 60 55 A A H > S+ 0 0 44 2,-0.2 4,-0.9 1,-0.2 -2,-0.1 0.944 106.7 44.4 -56.1 -48.7 19.7 4.1 72.6 61 56 A M H >4>S+ 0 0 47 -3,-0.3 5,-1.8 1,-0.2 3,-1.4 0.945 110.7 53.5 -62.2 -46.7 16.2 4.3 71.2 62 57 A E H ><5S+ 0 0 91 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.863 104.1 57.2 -56.1 -35.0 17.4 3.6 67.7 63 58 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.793 103.2 54.6 -66.3 -26.4 19.1 0.5 69.0 64 59 A Q T <<5S- 0 0 133 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.174 125.5-101.2 -90.1 12.1 15.7 -0.7 70.3 65 60 A G T < 5S+ 0 0 71 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.501 86.8 115.2 81.9 5.3 14.1 -0.4 66.9 66 61 A K S > S+ 0 0 0 36,-0.3 4,-2.4 -3,-0.2 3,-1.7 0.564 74.1 137.3 72.8 13.7 14.6 21.8 62.7 75 70 A S H 3> + 0 0 1 -4,-0.3 4,-3.0 1,-0.3 8,-0.2 0.897 63.5 62.3 -60.7 -39.6 11.9 19.3 63.9 76 71 A I H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 8,-0.2 0.768 113.6 36.0 -60.2 -22.3 10.8 21.5 66.7 77 72 A M H X4 S+ 0 0 6 -3,-1.7 3,-1.2 2,-0.1 -2,-0.2 0.855 118.0 48.6 -94.7 -44.7 9.8 24.2 64.2 78 73 A I H 3< S+ 0 0 58 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.896 127.4 27.2 -60.4 -46.5 8.5 21.9 61.4 79 74 A F T >X S+ 0 0 43 -4,-3.0 4,-2.3 -5,-0.2 3,-1.1 -0.369 78.6 144.4-109.0 49.4 6.4 19.9 63.8 80 75 A D H <> + 0 0 10 -3,-1.2 4,-2.5 1,-0.3 5,-0.4 0.900 65.8 63.5 -58.9 -39.2 5.9 22.7 66.4 81 76 A D H 34 S+ 0 0 108 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.1 0.821 114.3 32.3 -53.0 -35.4 2.3 21.5 67.1 82 77 A I H X4 S+ 0 0 66 -3,-1.1 3,-0.9 2,-0.1 4,-0.4 0.930 124.1 40.5 -84.7 -62.2 3.7 18.2 68.4 83 78 A E H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 6,-0.2 0.832 109.8 55.3 -63.8 -36.6 7.0 19.1 70.0 84 79 A T T 3< S+ 0 0 22 -4,-2.5 9,-0.3 -5,-0.3 7,-0.2 0.651 100.4 63.5 -74.5 -10.1 6.1 22.4 71.6 85 80 A A T < S+ 0 0 81 -3,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.601 78.6 103.3 -83.4 -14.2 3.3 20.6 73.5 86 81 A F S X S- 0 0 34 -3,-1.3 3,-1.4 -4,-0.4 -3,-0.0 -0.498 81.8-123.8 -68.5 137.5 5.9 18.4 75.3 87 82 A H G > S+ 0 0 95 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.893 108.7 55.6 -56.0 -42.1 6.3 19.6 78.9 88 83 A P G 3 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.696 107.2 53.2 -61.0 -21.0 10.1 20.2 78.7 89 84 A N G X S+ 0 0 2 -3,-1.4 3,-2.3 -6,-0.2 4,-0.3 0.190 78.8 150.4-100.8 15.4 9.5 22.5 75.7 90 85 A I T < + 0 0 68 -3,-1.8 98,-0.1 1,-0.3 -5,-0.1 -0.204 67.0 14.8 -51.2 135.0 7.0 24.6 77.5 91 86 A G T > S+ 0 0 19 -7,-0.2 3,-0.7 257,-0.1 4,-0.5 0.240 94.7 108.0 82.9 -5.5 6.9 28.2 76.3 92 87 A L T <> + 0 0 2 -3,-2.3 4,-2.3 1,-0.2 3,-0.2 0.667 57.3 75.4 -82.9 -14.5 8.8 27.5 73.0 93 88 A D H 3> S+ 0 0 40 -4,-0.3 4,-3.0 -9,-0.3 5,-0.2 0.872 89.3 62.7 -65.9 -26.9 6.0 27.9 70.5 94 89 A E H <> S+ 0 0 20 -3,-0.7 4,-1.5 254,-0.3 -1,-0.2 0.942 108.8 38.6 -57.7 -48.6 6.2 31.7 71.0 95 90 A I H > S+ 0 0 0 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.900 114.1 55.4 -73.5 -36.4 9.8 31.9 69.7 96 91 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.943 108.5 48.6 -58.6 -46.1 9.1 29.2 67.0 97 92 A K H < S+ 0 0 115 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 111.4 49.7 -63.7 -32.0 6.2 31.4 65.7 98 93 A L H < S+ 0 0 67 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.833 115.0 44.4 -73.7 -30.5 8.3 34.5 65.7 99 94 A Q H >X S+ 0 0 0 -4,-2.1 4,-1.0 -3,-0.2 3,-1.0 0.842 94.6 79.4 -82.2 -34.7 11.1 32.6 63.7 100 95 A K H >X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.3 3,-0.8 0.801 87.8 53.5 -41.5 -52.8 8.8 30.8 61.2 101 96 A P H 3> S+ 0 0 65 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.855 104.5 55.6 -57.9 -38.2 8.3 33.8 58.8 102 97 A F H <> S+ 0 0 19 -3,-1.0 4,-1.5 -4,-0.3 -2,-0.2 0.829 107.9 49.6 -63.2 -35.4 12.0 34.4 58.4 103 98 A V H S+ 0 0 15 -4,-1.0 4,-1.5 -3,-0.8 5,-1.0 0.930 112.4 46.0 -67.8 -49.2 12.5 30.8 57.3 104 99 A Q H <5S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.2 3,-0.2 0.900 114.9 48.4 -59.6 -46.8 9.7 30.9 54.7 105 100 A K H <5S+ 0 0 144 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 117.5 38.3 -63.2 -37.3 10.9 34.3 53.4 106 101 A H H <5S- 0 0 51 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.564 98.6-129.4 -96.0 -11.5 14.6 33.4 53.0 107 102 A G T <5 + 0 0 70 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.871 58.2 139.1 65.0 41.1 14.2 29.8 51.8 108 103 A V < - 0 0 26 -5,-1.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.708 60.8 -92.8-107.6 162.1 16.7 28.3 54.3 109 104 A T > - 0 0 34 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.494 29.9-124.4 -74.6 148.1 16.1 25.0 56.2 110 105 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -36,-0.3 0.884 110.8 52.3 -56.6 -45.5 14.5 25.3 59.6 111 106 A G H > S+ 0 0 1 -38,-0.4 4,-2.0 26,-0.3 -37,-0.2 0.889 109.8 46.6 -60.9 -44.4 17.4 23.5 61.2 112 107 A D H > S+ 0 0 14 25,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.916 111.6 53.2 -66.9 -35.9 20.0 25.9 59.7 113 108 A F H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.895 107.1 50.8 -63.8 -41.8 17.9 28.9 60.7 114 109 A I H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.927 112.8 45.7 -64.0 -40.7 17.7 27.7 64.4 115 110 A A H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.900 114.7 49.6 -68.7 -34.9 21.4 27.2 64.6 116 111 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.961 110.6 47.2 -67.3 -49.2 22.0 30.6 62.9 117 112 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.860 111.0 53.4 -63.2 -35.8 19.7 32.6 65.1 118 113 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.890 111.1 45.5 -63.5 -43.1 21.2 31.0 68.2 119 114 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.941 115.0 46.7 -68.1 -41.6 24.7 32.0 67.2 120 115 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.939 109.4 55.8 -65.0 -43.8 23.7 35.6 66.2 121 116 A A H >< S+ 0 0 0 -4,-2.6 3,-1.0 -5,-0.2 4,-0.4 0.942 109.4 45.6 -51.0 -51.5 21.7 35.9 69.5 122 117 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 6,-0.3 0.909 104.2 61.8 -63.3 -37.9 24.8 35.0 71.5 123 118 A S H 3< S+ 0 0 7 -4,-2.1 175,-0.6 1,-0.3 -1,-0.3 0.778 98.9 59.9 -59.1 -20.4 27.0 37.4 69.4 124 119 A N T << S+ 0 0 23 -4,-1.2 -85,-0.4 -3,-1.0 -1,-0.3 0.648 88.8 83.3 -82.0 -12.2 24.7 40.2 70.8 125 120 A c S X S- 0 0 0 -3,-1.9 3,-1.9 -4,-0.4 79,-0.2 -0.815 88.3-116.5 -96.4 118.2 25.6 39.5 74.4 126 121 A P T 3 S+ 0 0 20 0, 0.0 79,-2.7 0, 0.0 174,-0.2 -0.188 98.8 28.1 -52.7 138.0 28.7 41.1 75.7 127 122 A G T 3 S+ 0 0 4 171,-3.1 173,-0.1 1,-0.3 77,-0.1 0.234 86.7 139.1 96.1 -11.9 31.4 38.6 76.7 128 123 A A < - 0 0 7 -3,-1.9 -1,-0.3 -6,-0.3 139,-0.1 -0.221 57.3-104.4 -68.1 154.6 30.2 35.8 74.3 129 124 A P - 0 0 1 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.234 45.0 -89.9 -65.5 170.1 32.7 33.6 72.4 130 125 A Q - 0 0 90 166,-0.1 2,-0.2 167,-0.1 166,-0.1 -0.756 60.3-137.2 -81.7 112.4 33.2 34.3 68.7 131 126 A M - 0 0 9 -2,-0.7 2,-0.2 164,-0.4 163,-0.2 -0.510 9.8-136.2 -84.8 153.5 30.5 31.9 67.5 132 127 A N - 0 0 46 139,-0.2 2,-0.3 -2,-0.2 -1,-0.1 -0.557 11.7-166.3 -99.9 164.4 30.5 29.4 64.6 133 128 A F + 0 0 4 -2,-0.2 157,-2.2 -14,-0.1 2,-0.4 -0.876 7.3 179.1-151.6 111.2 27.8 28.7 62.1 134 129 A F E -B 289 0B 32 -2,-0.3 2,-0.3 155,-0.2 155,-0.2 -0.892 14.5-148.7-112.9 145.1 27.8 25.7 59.8 135 130 A T E +B 288 0B 14 153,-2.8 153,-1.8 -2,-0.4 -116,-0.0 -0.736 53.6 88.6-108.6 164.8 25.1 24.9 57.2 136 131 A G + 0 0 45 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.540 37.2 142.1 130.7 10.1 23.7 21.7 55.9 137 132 A R - 0 0 2 -3,-0.2 -25,-0.5 -28,-0.1 -26,-0.3 -0.710 40.1-144.6 -86.6 112.6 20.8 20.4 58.0 138 133 A A - 0 0 69 -2,-0.8 3,-0.1 1,-0.1 -1,-0.0 -0.382 36.8 -86.4 -69.1 151.4 18.1 18.8 55.8 139 134 A P - 0 0 72 0, 0.0 -65,-0.2 0, 0.0 -1,-0.1 -0.251 48.5-106.5 -58.8 137.6 14.5 19.4 57.1 140 135 A A - 0 0 11 -67,-1.6 -3,-0.0 1,-0.1 -69,-0.0 -0.401 25.2-165.0 -61.4 147.3 13.3 16.8 59.6 141 136 A T S S+ 0 0 130 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 0.571 74.6 37.4-111.0 -12.2 10.8 14.2 58.3 142 137 A Q S S- 0 0 100 3,-0.0 -72,-0.3 -63,-0.0 -1,-0.2 -0.991 84.4-117.7-137.0 139.6 9.6 12.9 61.7 143 138 A P - 0 0 37 0, 0.0 -74,-0.2 0, 0.0 -67,-0.0 -0.345 40.6-100.2 -68.6 157.8 9.0 14.8 64.9 144 139 A A - 0 0 4 1,-0.1 -75,-0.1 -75,-0.1 -76,-0.1 -0.513 35.9-112.1 -79.2 154.2 11.1 13.8 67.9 145 140 A P - 0 0 37 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.308 35.5-107.5 -71.7 164.7 9.7 11.6 70.5 146 141 A D S S+ 0 0 78 1,-0.2 -63,-0.0 2,-0.1 -60,-0.0 -0.371 94.6 59.2 -86.4 173.9 9.0 13.0 74.0 147 142 A G S S+ 0 0 57 2,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.564 80.7 96.2 83.1 12.2 11.2 12.2 77.0 148 143 A L + 0 0 4 -3,-0.4 -91,-0.2 1,-0.1 -2,-0.1 0.612 63.6 73.1-106.3 -21.0 14.4 13.4 75.4 149 144 A V S S- 0 0 9 -93,-0.1 -2,-0.2 1,-0.0 -1,-0.1 -0.887 86.2-115.1-100.5 128.5 14.7 17.0 76.8 150 145 A P - 0 0 25 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.085 23.5-144.7 -62.3 149.0 15.7 17.3 80.4 151 146 A E > - 0 0 20 4,-0.1 3,-1.7 1,-0.1 77,-0.1 -0.841 23.6-115.6-108.7 158.4 13.4 18.8 83.0 152 147 A P T 3 S+ 0 0 27 0, 0.0 90,-1.1 0, 0.0 76,-0.1 0.737 115.3 54.1 -68.4 -18.1 14.5 21.0 86.0 153 148 A F T 3 S+ 0 0 61 88,-0.2 2,-0.1 74,-0.1 75,-0.1 0.368 83.0 111.3 -97.3 7.1 13.2 18.3 88.4 154 149 A H S < S- 0 0 48 -3,-1.7 2,-0.0 1,-0.1 5,-0.0 -0.475 73.3-107.6 -75.3 153.6 15.3 15.4 86.9 155 150 A T > - 0 0 70 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.330 25.1-109.8 -74.3 163.6 18.1 14.0 88.9 156 151 A V H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 120.7 52.2 -59.9 -44.2 21.8 14.6 88.2 157 152 A D H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 107.6 51.2 -59.7 -43.8 22.1 10.9 87.1 158 153 A Q H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.873 113.3 44.4 -56.4 -45.8 19.1 11.2 84.8 159 154 A I H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.905 112.1 51.7 -69.5 -41.8 20.6 14.3 83.0 160 155 A I H X S+ 0 0 19 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.955 113.1 46.0 -58.0 -46.9 24.1 12.9 82.8 161 156 A N H X S+ 0 0 99 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.870 110.4 54.0 -66.7 -36.1 22.7 9.7 81.2 162 157 A R H X S+ 0 0 31 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.951 112.3 41.2 -64.6 -47.4 20.5 11.7 78.8 163 158 A V H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 6,-1.5 0.812 112.3 56.2 -75.7 -23.0 23.3 13.9 77.4 164 159 A N H X S+ 0 0 86 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.951 111.2 44.7 -69.8 -43.4 25.7 10.9 77.3 165 160 A D H < S+ 0 0 38 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.964 113.6 49.6 -60.4 -54.3 23.1 9.0 75.1 166 161 A A H < S- 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 138.4 -8.5 -56.3 -45.4 22.4 12.0 72.8 167 162 A G H < S- 0 0 25 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.271 92.1-102.1-143.5 17.2 25.9 13.0 71.9 168 163 A E < + 0 0 168 -4,-2.3 2,-0.3 1,-0.2 -4,-0.2 0.788 65.2 161.8 61.0 31.3 28.4 11.1 74.0 169 164 A F - 0 0 10 -6,-1.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.694 28.1-142.8 -82.3 143.5 28.9 14.1 76.2 170 165 A D > - 0 0 75 -2,-0.3 4,-1.4 -3,-0.1 -1,-0.1 -0.229 33.0 -89.3 -94.5-172.8 30.5 13.5 79.6 171 166 A E H > S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.798 125.0 56.0 -70.8 -25.9 29.7 15.2 82.9 172 167 A L H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.964 106.8 49.7 -67.6 -46.9 32.2 18.0 82.4 173 168 A E H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.809 103.3 60.7 -64.0 -27.9 30.6 18.9 79.1 174 169 A L H X S+ 0 0 5 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.925 105.0 49.2 -61.4 -43.7 27.2 19.0 80.7 175 170 A V H < S+ 0 0 0 -4,-1.3 4,-0.4 -3,-0.4 -2,-0.2 0.939 109.1 52.7 -62.6 -44.9 28.5 21.7 83.0 176 171 A X H >< S+ 0 0 36 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.919 106.3 50.7 -60.3 -45.2 29.8 23.7 80.1 177 172 A M H >< S+ 0 0 15 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.827 99.3 66.8 -68.7 -21.7 26.6 23.7 78.1 178 173 A L G >< S+ 0 0 26 -4,-1.6 3,-2.2 1,-0.3 -1,-0.3 0.621 75.8 88.3 -72.0 -5.1 24.7 25.0 81.2 179 174 A S G X S+ 0 0 0 -3,-1.9 3,-1.9 -4,-0.4 -1,-0.3 0.734 70.4 76.0 -58.3 -26.7 26.8 28.2 80.8 180 175 A A G X S+ 0 0 19 -3,-1.5 3,-2.1 1,-0.3 -1,-0.3 0.782 76.8 73.3 -59.9 -21.7 24.0 29.4 78.5 181 176 A H G X S+ 0 0 45 -3,-2.2 3,-0.6 1,-0.3 17,-0.3 0.638 78.0 77.9 -71.9 1.5 21.9 30.0 81.7 182 177 A S G < S+ 0 0 0 -3,-1.9 22,-0.5 1,-0.3 -1,-0.3 0.703 101.4 38.5 -74.6 -14.5 24.2 33.1 82.2 183 178 A V G < S+ 0 0 2 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.3 -0.606 106.7 92.8-134.0 70.9 22.0 34.8 79.5 184 179 A A < - 0 0 12 -3,-0.6 14,-1.9 -2,-0.2 15,-0.5 -0.999 47.2-161.0-165.2 152.8 18.6 33.6 80.4 185 180 A A E -C 197 0C 28 -2,-0.3 2,-0.5 12,-0.3 -2,-0.0 -0.903 23.3-121.4-139.7 165.8 15.3 34.0 82.3 186 181 A V E +C 196 0C 14 10,-2.1 10,-1.9 -2,-0.3 9,-0.9 -0.939 29.2 165.0-115.2 120.7 12.4 31.8 83.4 187 182 A N S S+ 0 0 22 -2,-0.5 -1,-0.1 7,-0.2 6,-0.1 0.630 73.0 38.0-105.7 -21.5 8.9 32.5 82.2 188 183 A D S S+ 0 0 49 -98,-0.1 6,-0.1 6,-0.1 -97,-0.1 0.445 94.0 72.1-118.6 2.7 7.0 29.3 83.0 189 184 A V S S+ 0 0 38 1,-0.2 38,-0.1 4,-0.1 40,-0.1 0.868 99.1 46.3 -85.4 -42.5 8.1 27.8 86.3 190 185 A D S > S- 0 0 1 3,-0.4 3,-1.3 1,-0.1 -1,-0.2 -0.897 74.2-159.0 -99.7 117.4 6.5 30.4 88.7 191 186 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.655 85.2 60.4 -74.1 -8.6 3.0 31.0 87.4 192 187 A T T 3 S+ 0 0 98 1,-0.2 2,-0.3 31,-0.0 -3,-0.0 0.531 111.8 25.2 -93.2 -11.7 2.8 34.3 89.2 193 188 A V < - 0 0 34 -3,-1.3 -3,-0.4 -6,-0.1 2,-0.3 -0.955 63.9-151.7-157.2 135.3 5.6 36.1 87.4 194 189 A Q S S+ 0 0 69 -2,-0.3 -7,-0.2 1,-0.2 -6,-0.1 -0.814 70.1 35.4-107.0 151.1 7.4 35.8 84.1 195 190 A G + 0 0 0 -9,-0.9 148,-2.4 -2,-0.3 -8,-0.2 0.786 60.9 162.2 89.4 25.3 11.0 36.7 83.3 196 191 A L E -C 186 0C 9 -10,-1.9 -10,-2.1 -3,-0.3 -1,-0.2 -0.715 34.2-131.2 -80.4 126.0 13.0 35.9 86.4 197 192 A P E -C 185 0C 0 0, 0.0 41,-2.2 0, 0.0 -12,-0.3 -0.272 6.8-138.3 -76.1 154.8 16.7 35.6 85.5 198 193 A F S S+ 0 0 13 -14,-1.9 2,-0.3 -17,-0.3 -13,-0.1 0.686 89.8 17.7 -80.1 -24.1 19.1 32.8 86.4 199 194 A D S S- 0 0 0 -15,-0.5 10,-0.1 -18,-0.1 -15,-0.1 -0.934 86.2-103.3-137.9 173.7 21.9 35.2 87.3 200 195 A S S S+ 0 0 36 -2,-0.3 141,-0.2 1,-0.2 3,-0.1 0.522 114.3 51.0 -78.9 1.6 22.2 38.9 88.1 201 196 A T > + 0 0 20 3,-0.1 3,-2.2 -19,-0.1 -1,-0.2 -0.615 58.8 160.7-131.5 61.8 23.6 39.7 84.6 202 197 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.679 78.0 53.3 -67.5 -9.4 21.2 38.2 82.0 203 198 A G T 3 S+ 0 0 29 -3,-0.1 2,-0.4 -20,-0.1 -20,-0.1 0.312 101.7 70.3-100.7 5.3 22.5 40.4 79.3 204 199 A I S < S- 0 0 48 -3,-2.2 2,-1.1 -22,-0.5 -77,-0.2 -0.989 75.1-137.0-128.6 132.6 26.1 39.5 79.8 205 200 A F + 0 0 0 -79,-2.7 2,-0.2 -2,-0.4 -22,-0.1 -0.670 60.7 120.9 -87.3 100.7 27.8 36.2 79.0 206 201 A D S S- 0 0 6 -2,-1.1 3,-0.4 -5,-0.2 4,-0.1 -0.783 76.4 -90.0-144.9-171.7 29.8 35.8 82.2 207 202 A S S > S+ 0 0 0 99,-0.3 4,-1.8 -2,-0.2 3,-0.5 0.250 86.2 107.6 -97.2 14.1 30.4 33.5 85.1 208 203 A Q H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.860 75.1 60.8 -62.4 -31.9 27.8 35.1 87.5 209 204 A F H > S+ 0 0 0 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.905 106.9 45.4 -56.0 -43.2 25.6 32.0 87.0 210 205 A F H 4 S+ 0 0 0 -3,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.843 116.4 45.7 -71.9 -32.9 28.3 29.8 88.4 211 206 A V H >< S+ 0 0 0 -4,-1.8 3,-0.9 2,-0.2 4,-0.4 0.925 115.6 44.2 -70.7 -51.4 29.0 32.2 91.3 212 207 A E H >< S+ 0 0 0 -4,-3.2 3,-0.9 1,-0.3 -2,-0.2 0.824 106.8 57.3 -73.9 -24.1 25.4 32.8 92.3 213 208 A T T 3< S+ 0 0 3 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.732 103.2 58.3 -74.7 -16.7 24.2 29.2 92.1 214 209 A Q T < S+ 0 0 1 -3,-0.9 105,-3.2 -4,-0.4 -1,-0.2 0.565 87.3 94.6 -90.3 -9.5 26.9 28.3 94.7 215 210 A L B < S-D 318 0D 0 -3,-0.9 103,-0.2 -4,-0.4 2,-0.2 -0.368 93.3 -88.3 -77.1 159.4 25.5 30.8 97.3 216 211 A R - 0 0 124 101,-2.6 2,-0.3 -2,-0.1 -1,-0.1 -0.488 41.5-124.8 -66.7 131.7 23.1 29.5 99.9 217 212 A G + 0 0 18 -2,-0.2 15,-0.2 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