==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/SUGAR BINDING PROTEIN 24-MAY-10 2XFG . COMPND 2 MOLECULE: ENDOGLUCANASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR S.PETKUN,R.LAMED,S.JINDOU,T.BURSTEIN,O.YANIV,Y.SHOHAM,J.W.L. . 618 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 64.6 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 . 82 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 . 1 0.2 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 . 40 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 1 1 0 0 1 0 0 1 1 1 1 1 3 1 1 0 1 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 . 9 3 4 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 T 0 0 127 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.9 20.2 -45.3 53.0 2 2 A G - 0 0 31 2,-0.1 3,-0.0 442,-0.1 438,-0.0 0.405 360.0-145.0 -94.7-169.4 20.5 -44.3 50.4 3 3 A A S S+ 0 0 60 -2,-0.2 2,-0.3 2,-0.0 0, 0.0 0.609 80.1 29.7 -87.4 -17.3 21.2 -47.0 47.9 4 4 A F S S- 0 0 56 364,-0.0 2,-1.5 354,-0.0 3,-0.2 -0.922 90.8 -94.8-140.8 162.9 23.5 -45.0 45.6 5 5 A N > + 0 0 85 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.642 42.3 175.9 -80.8 88.8 26.0 -42.1 45.9 6 6 A Y H > S+ 0 0 4 -2,-1.5 4,-2.7 1,-0.2 434,-0.2 0.851 76.3 57.9 -65.9 -33.3 23.6 -39.2 45.0 7 7 A G H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 108.5 45.1 -63.2 -46.6 26.3 -36.6 45.6 8 8 A E H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 112.9 50.7 -58.8 -48.8 28.6 -38.2 43.1 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.910 111.1 49.7 -56.1 -42.3 25.8 -38.6 40.6 10 10 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.944 109.3 50.7 -62.7 -52.7 24.9 -34.9 41.1 11 11 A Q H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.925 116.0 42.3 -45.1 -50.0 28.5 -33.8 40.6 12 12 A K H X S+ 0 0 18 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.903 109.2 56.3 -71.2 -42.7 28.7 -35.8 37.4 13 13 A A H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.800 111.7 45.1 -63.8 -28.6 25.2 -34.8 36.1 14 14 A I H >X S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.2 4,-0.5 0.886 107.0 58.2 -75.3 -42.9 26.3 -31.1 36.3 15 15 A F H >X S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.3 4,-1.3 0.834 90.0 74.2 -54.2 -33.9 29.7 -31.8 34.7 16 16 A F H 3X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.3 3,-0.4 0.870 88.8 59.8 -48.1 -41.9 27.8 -33.1 31.7 17 17 A Y H <4 S+ 0 0 0 -3,-1.5 3,-0.4 -4,-0.4 -1,-0.3 0.790 98.2 57.4 -63.0 -27.8 27.0 -29.5 30.8 18 18 A E H X< S+ 0 0 8 -3,-1.5 3,-1.6 -4,-0.5 -1,-0.2 0.888 101.6 57.0 -66.6 -35.0 30.7 -28.6 30.5 19 19 A C H 3< S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.728 104.2 53.8 -65.3 -23.8 31.0 -31.4 27.9 20 20 A Q T 3< S+ 0 0 2 -4,-0.7 35,-2.8 -3,-0.4 -1,-0.3 0.368 79.2 132.7 -90.4 1.8 28.3 -29.6 25.9 21 21 A R B < -A 54 0A 26 -3,-1.6 2,-0.3 33,-0.2 33,-0.2 -0.330 35.0-167.2 -67.3 134.8 30.0 -26.1 25.7 22 22 A S + 0 0 0 31,-2.6 2,-0.2 2,-0.1 17,-0.2 -0.781 48.9 32.4-103.6 156.0 30.2 -24.3 22.4 23 23 A G B S-B 38 0B 1 15,-1.8 15,-1.4 -2,-0.3 2,-0.5 -0.521 103.4 -10.5 104.8-165.1 32.5 -21.3 21.9 24 24 A K - 0 0 162 13,-0.2 2,-0.3 -2,-0.2 -2,-0.1 -0.650 67.0-160.7 -75.0 121.2 35.8 -20.0 23.2 25 25 A L - 0 0 16 -2,-0.5 2,-0.9 -4,-0.1 12,-0.2 -0.739 20.3-131.2-103.1 151.7 37.0 -22.2 26.2 26 26 A D >> - 0 0 89 -2,-0.3 3,-1.8 1,-0.1 4,-1.4 -0.837 19.8-170.6 -94.6 95.4 39.5 -21.4 28.9 27 27 A S T 34 S+ 0 0 107 -2,-0.9 -1,-0.1 1,-0.3 5,-0.1 0.688 79.7 67.4 -64.0 -16.1 41.7 -24.6 28.9 28 28 A S T 34 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.668 113.7 27.3 -79.1 -14.9 43.4 -23.4 32.1 29 29 A T T <4 S+ 0 0 99 -3,-1.8 -2,-0.2 3,-0.0 -1,-0.2 0.475 90.5 116.6-123.5 -8.7 40.2 -23.8 34.2 30 30 A L < - 0 0 19 -4,-1.4 -5,-0.0 1,-0.1 427,-0.0 -0.327 61.9-138.4 -58.0 145.7 38.3 -26.5 32.3 31 31 A R S S+ 0 0 32 -16,-0.1 425,-3.1 424,-0.1 2,-0.3 0.159 84.6 45.7 -91.7 15.5 37.7 -29.7 34.3 32 32 A L B -c 456 0C 6 423,-0.2 425,-0.3 424,-0.1 3,-0.1 -0.969 65.3-145.7-150.9 164.8 38.5 -31.9 31.3 33 33 A N S S+ 0 0 39 423,-1.5 424,-0.1 -2,-0.3 457,-0.1 0.242 84.2 74.2-119.1 14.0 41.1 -32.0 28.5 34 34 A W S S+ 0 0 1 422,-0.3 459,-0.5 457,-0.2 2,-0.4 0.249 80.3 77.2-117.7 14.8 39.0 -33.2 25.6 35 35 A R + 0 0 6 457,-0.1 2,-0.2 -3,-0.1 -3,-0.1 -0.985 54.0 163.7-122.8 137.9 37.1 -30.1 24.7 36 36 A G - 0 0 12 -2,-0.4 -13,-0.1 1,-0.1 -10,-0.1 -0.740 47.8 -44.5-134.3-177.0 38.5 -27.1 22.9 37 37 A D + 0 0 78 -2,-0.2 2,-0.3 -12,-0.2 -13,-0.2 -0.227 65.1 159.9 -53.2 135.3 37.4 -24.0 21.0 38 38 A S B +B 23 0B 4 -15,-1.4 -15,-1.8 1,-0.1 14,-0.3 -0.993 49.0 25.7-157.0 155.9 34.5 -24.6 18.6 39 39 A G > + 0 0 11 93,-0.4 3,-1.5 -2,-0.3 13,-0.2 0.837 65.4 153.1 59.1 35.4 31.8 -22.7 16.8 40 40 A L T 3 + 0 0 81 1,-0.3 11,-0.2 -17,-0.2 -1,-0.1 0.732 68.6 53.3 -74.8 -15.0 33.9 -19.5 16.9 41 41 A D T > S+ 0 0 102 9,-0.1 3,-2.1 2,-0.1 4,-0.4 0.262 75.9 136.7 -98.5 12.1 32.2 -18.1 13.8 42 42 A D T < S+ 0 0 4 -3,-1.5 8,-2.3 1,-0.3 9,-0.2 -0.415 76.0 14.3 -62.4 123.5 28.7 -18.6 15.2 43 43 A G T > >S+ 0 0 0 96,-0.5 5,-2.1 -2,-0.2 3,-1.7 0.188 90.4 113.9 100.6 -17.8 26.7 -15.4 14.4 44 44 A K G X 5S+ 0 0 141 -3,-2.1 3,-0.8 1,-0.3 -2,-0.1 0.808 70.6 61.2 -65.4 -28.0 29.1 -14.1 11.7 45 45 A D G 3 5S+ 0 0 99 -4,-0.4 -1,-0.3 94,-0.3 -3,-0.1 0.768 111.3 41.3 -62.5 -26.3 26.6 -14.5 8.9 46 46 A A G < 5S- 0 0 37 -3,-1.7 -1,-0.2 2,-0.3 -2,-0.2 0.350 116.5-114.2 -99.3 -3.1 24.3 -12.1 10.8 47 47 A G T < 5S+ 0 0 69 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.716 81.8 108.1 76.2 21.1 27.2 -9.7 11.8 48 48 A I S -D 118 0D 3 -2,-0.8 4,-1.9 -9,-0.3 55,-0.2 -0.907 11.1-160.7-103.5 103.9 18.6 -25.2 19.7 64 64 A N H > S+ 0 0 1 53,-2.0 4,-2.6 -2,-0.7 5,-0.3 0.735 79.7 63.7 -68.3 -20.6 17.5 -22.4 22.0 65 65 A L H > S+ 0 0 0 52,-0.3 4,-2.4 2,-0.2 5,-0.2 0.994 113.4 31.2 -68.6 -59.2 14.1 -23.9 23.1 66 66 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.863 119.2 57.5 -64.7 -26.9 15.5 -27.0 24.8 67 67 A M H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.955 111.3 40.1 -67.8 -44.9 18.6 -25.0 25.8 68 68 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.911 114.1 53.9 -73.6 -39.1 16.6 -22.3 27.6 69 69 A Y H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.935 110.0 48.3 -56.7 -42.2 14.2 -24.9 29.1 70 70 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.931 110.8 48.9 -68.4 -42.0 17.3 -26.8 30.5 71 71 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.892 110.7 52.9 -64.5 -37.3 18.9 -23.6 32.0 72 72 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.920 110.3 46.7 -62.5 -43.2 15.5 -22.8 33.6 73 73 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.884 112.5 48.5 -70.0 -37.6 15.2 -26.2 35.2 74 74 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.932 113.1 49.6 -63.6 -41.9 18.8 -26.1 36.5 75 75 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.890 107.2 53.8 -63.8 -38.7 18.1 -22.7 37.9 76 76 A W H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.919 105.3 54.8 -64.5 -40.6 14.9 -23.9 39.5 77 77 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.901 110.2 45.3 -54.5 -46.3 17.0 -26.7 41.3 78 78 A V H < S+ 0 0 1 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.846 110.5 55.3 -67.3 -35.5 19.4 -24.0 42.8 79 79 A Y H < S+ 0 0 78 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.899 118.0 32.9 -65.8 -39.0 16.4 -21.8 43.7 80 80 A E H < S+ 0 0 43 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.844 132.8 26.1 -85.4 -36.3 14.8 -24.7 45.8 81 81 A Y X + 0 0 7 -4,-2.5 4,-1.7 -5,-0.2 3,-0.5 -0.271 67.9 142.7-130.0 45.7 17.8 -26.6 47.1 82 82 A E H > S+ 0 0 84 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.1 0.890 75.6 53.0 -56.8 -44.0 20.7 -24.0 47.3 83 83 A D H > S+ 0 0 81 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.855 103.3 56.7 -63.9 -36.5 22.0 -25.5 50.5 84 84 A A H > S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 6,-0.3 0.919 108.3 48.5 -61.0 -42.0 22.2 -29.0 49.0 85 85 A F H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 6,-0.9 0.910 113.4 47.0 -63.8 -40.9 24.4 -27.6 46.2 86 86 A K H ><5S+ 0 0 101 -4,-2.1 3,-1.3 4,-0.2 -2,-0.2 0.935 111.7 49.3 -66.3 -45.3 26.6 -25.9 48.8 87 87 A Q H 3<5S+ 0 0 81 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.0 48.8 -66.4 -31.6 27.0 -28.9 51.1 88 88 A S T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.474 113.4-117.9 -85.7 -2.6 27.9 -31.2 48.1 89 89 A G T < 5S+ 0 0 50 -3,-1.3 4,-0.3 -4,-0.3 -3,-0.2 0.678 87.2 110.4 76.2 17.3 30.5 -28.7 46.9 90 90 A Q >< + 0 0 6 -5,-2.3 4,-2.5 -6,-0.3 5,-0.2 0.310 40.7 97.3-105.3 8.2 28.5 -28.2 43.6 91 91 A Y H > S+ 0 0 23 -6,-0.9 4,-2.2 2,-0.2 5,-0.2 0.956 88.5 39.7 -71.0 -51.3 27.2 -24.7 44.0 92 92 A N H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 115.5 55.7 -61.5 -39.1 29.9 -22.8 42.0 93 93 A H H > S+ 0 0 50 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.927 109.0 44.6 -57.4 -48.1 29.8 -25.6 39.5 94 94 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.929 114.8 49.0 -67.6 -41.9 26.1 -25.4 38.8 95 95 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.922 107.9 54.2 -62.4 -42.0 26.2 -21.5 38.7 96 96 A N H X S+ 0 0 89 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.881 112.3 44.2 -56.9 -40.6 29.1 -21.6 36.2 97 97 A N H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.909 111.4 51.0 -74.3 -41.3 27.2 -23.8 33.9 98 98 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 3,-0.2 0.926 109.8 52.5 -61.7 -39.9 23.9 -21.9 34.1 99 99 A K H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.827 100.2 62.8 -65.8 -31.3 25.8 -18.7 33.3 100 100 A W H X S+ 0 0 55 -4,-1.2 4,-1.0 -5,-0.2 -47,-0.8 0.942 110.5 38.0 -57.9 -46.6 27.3 -20.4 30.2 101 101 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 3,-0.4 0.941 116.7 50.7 -69.6 -44.2 23.8 -20.7 28.7 102 102 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.842 103.3 58.2 -69.5 -32.6 22.5 -17.4 30.0 103 103 A D H X S+ 0 0 60 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.897 109.5 47.8 -59.4 -37.1 25.5 -15.4 28.6 104 104 A Y H X S+ 0 0 1 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.911 106.3 54.3 -68.4 -41.6 24.5 -16.9 25.2 105 105 A F H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 108.0 52.5 -62.4 -35.3 20.8 -16.0 25.5 106 106 A I H >< S+ 0 0 21 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.934 107.7 49.3 -65.6 -46.5 21.9 -12.4 26.2 107 107 A K H 3< S+ 0 0 70 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.2 59.3 -55.8 -35.7 24.1 -12.3 23.0 108 108 A C T 3< S+ 0 0 0 -4,-2.2 8,-2.6 1,-0.2 -1,-0.3 0.500 97.9 63.2 -73.7 -3.3 21.0 -13.7 21.2 109 109 A H < + 0 0 5 -3,-1.7 -1,-0.2 6,-0.2 6,-0.2 -0.627 56.2 155.6-122.8 72.9 19.0 -10.6 22.2 110 110 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.691 70.5 20.0 -78.2 -19.9 20.8 -7.7 20.5 111 111 A E B > S-E 114 0D 128 3,-0.6 3,-1.7 -3,-0.1 0, 0.0 -0.936 92.9 -95.3-142.6 162.9 17.7 -5.4 20.5 112 112 A K T 3 S+ 0 0 141 1,-0.3 77,-0.3 -2,-0.3 76,-0.0 0.768 120.3 25.6 -49.7 -43.4 14.4 -5.3 22.5 113 113 A D T 3 S+ 0 0 52 76,-0.1 33,-0.6 75,-0.1 2,-0.4 -0.270 104.0 89.2-117.9 35.2 12.3 -7.3 19.8 114 114 A V E < +EF 111 145D 16 -3,-1.7 -3,-0.6 31,-0.2 2,-0.4 -0.994 47.7 172.9-133.2 131.3 14.9 -9.3 18.0 115 115 A Y E - F 0 144D 0 29,-2.1 29,-2.6 -2,-0.4 2,-0.5 -0.949 25.3-144.4-144.7 118.9 16.0 -12.8 19.2 116 116 A Y E + F 0 143D 15 -8,-2.6 27,-0.3 -2,-0.4 3,-0.1 -0.719 20.6 178.9 -79.4 127.4 18.3 -15.3 17.6 117 117 A Y E + 0 0 4 25,-1.8 -53,-2.0 -2,-0.5 -52,-0.3 0.428 55.4 21.5-115.2 -1.3 16.9 -18.8 18.3 118 118 A Q E -DF 63 142D 1 24,-1.0 24,-2.0 -55,-0.2 2,-0.4 -0.958 46.5-163.5-163.3 142.9 19.2 -21.2 16.6 119 119 A V E +DF 62 141D 0 -57,-1.5 -57,-2.7 -2,-0.3 22,-0.2 -0.987 65.9 36.4-127.0 128.1 22.7 -21.6 15.2 120 120 A G S S- 0 0 1 20,-3.2 2,-0.5 -2,-0.4 19,-0.1 -0.078 80.1-101.5 111.6 145.3 23.4 -24.5 12.9 121 121 A D > - 0 0 60 17,-0.4 4,-2.8 1,-0.1 5,-0.3 -0.905 29.0-143.4 -98.1 120.5 21.3 -26.2 10.2 122 122 A G H > S+ 0 0 3 -2,-0.5 4,-2.4 79,-0.4 5,-0.1 0.915 96.4 44.5 -56.6 -47.7 19.9 -29.5 11.6 123 123 A H H > S+ 0 0 152 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.928 117.2 44.4 -63.8 -46.2 20.3 -31.6 8.4 124 124 A A H 4 S+ 0 0 32 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.883 113.7 51.2 -66.0 -39.4 23.8 -30.4 7.6 125 125 A D H >< S+ 0 0 3 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.931 112.3 45.0 -62.5 -44.8 24.9 -30.7 11.2 126 126 A H 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54.3-164.2-162.4 144.3 2.9 -16.1 17.4 196 196 A D > + 0 0 34 -2,-0.3 3,-1.9 -46,-0.3 -46,-0.1 0.130 56.3 120.0-113.5 20.3 5.4 -18.7 16.4 197 197 A D T 3 S+ 0 0 133 1,-0.3 -47,-0.1 3,-0.0 -1,-0.1 0.799 77.5 46.4 -58.2 -31.9 5.3 -17.9 12.7 198 198 A G T 3 S+ 0 0 9 -49,-2.3 2,-1.2 -3,-0.1 3,-0.3 0.565 87.4 94.5 -84.2 -10.3 8.9 -17.0 12.6 199 199 A Y < + 0 0 23 -3,-1.9 9,-0.2 -50,-0.7 -1,-0.1 -0.705 47.9 121.7 -86.6 94.5 10.1 -20.1 14.5 200 200 A T > + 0 0 88 -2,-1.2 3,-1.7 3,-0.1 -1,-0.2 0.654 42.6 77.5-128.5 -24.0 10.9 -22.4 11.6 201 201 A A T 3 S+ 0 0 20 -3,-0.3 -79,-0.4 1,-0.3 -2,-0.1 0.656 93.9 57.1 -76.3 -11.7 14.6 -23.7 11.6 202 202 A A T >> S+ 0 0 1 4,-0.1 4,-2.5 3,-0.1 3,-2.4 0.248 74.3 138.9 -97.3 11.6 13.9 -26.2 14.3 203 203 A N T <4 S+ 0 0 112 -3,-1.7 -81,-0.1 1,-0.3 -3,-0.1 -0.341 74.4 17.8 -59.1 131.6 11.1 -27.9 12.4 204 204 A G T 34 S+ 0 0 61 1,-0.1 -1,-0.3 -82,-0.0 -2,-0.1 0.391 130.2 51.9 86.9 -6.0 11.4 -31.7 12.8 205 205 A F T <4 S+ 0 0 77 -3,-2.4 -2,-0.2 0, 0.0 -1,-0.1 0.648 125.9 1.7-123.1 -57.5 13.6 -31.3 15.9 206 206 A Y S < S+ 0 0 25 -4,-2.5 -4,-0.1 2,-0.0 -3,-0.1 -0.423 75.1 169.7-137.8 58.8 12.0 -29.0 18.4 207 207 A N - 0 0 45 -5,-0.1 2,-0.9 1,-0.1 -7,-0.1 -0.360 44.3-110.6 -61.7 152.5 8.6 -27.9 17.1 208 208 A S + 0 0 30 -9,-0.2 4,-0.1 1,-0.2 -1,-0.1 -0.793 47.7 166.4 -83.2 107.6 6.3 -26.0 19.5 209 209 A W S S+ 0 0 196 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.901 71.0 40.0 -91.4 -48.5 3.6 -28.7 20.0 210 210 A S S S- 0 0 36 51,-0.3 3,-0.3 1,-0.3 4,-0.2 0.490 109.8-121.8 -80.3 -7.4 1.6 -27.4 23.0 211 211 A G - 0 0 25 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 -0.339 30.8 -73.9 91.1-176.7 1.8 -23.8 21.9 212 212 A F S > S+ 0 0 28 1,-0.1 4,-2.5 2,-0.1 5,-0.2 0.395 101.7 90.6-104.3 -0.9 3.2 -20.8 23.8 213 213 A Y H > S+ 0 0 60 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.879 88.4 52.0 -69.0 -30.7 0.7 -20.1 26.6 214 214 A D H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.951 111.4 47.5 -65.4 -43.7 2.4 -22.4 29.1 215 215 A E H > S+ 0 0 0 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.898 109.3 53.8 -66.1 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51.3 -90.7 52.8 -1.3 -36.8 31.4 256 256 A W S S- 0 0 83 -2,-1.2 2,-0.3 -3,-0.1 3,-0.0 -0.681 82.0-100.3-150.1-151.7 2.1 -35.7 30.3 257 257 A A - 0 0 0 -2,-0.2 5,-0.2 54,-0.0 7,-0.1 -0.991 33.9 -91.9-140.5 153.6 5.3 -34.3 31.9 258 258 A Q + 0 0 0 -2,-0.3 2,-0.3 61,-0.2 5,-0.2 -0.438 69.4 143.9 -51.5 125.7 7.2 -31.1 32.5 259 259 A C B > -H 262 0F 2 3,-2.0 3,-0.8 -2,-0.1 6,-0.0 -0.966 66.9 -75.3-162.9 175.7 9.5 -31.0 29.5 260 260 A W T 3 S+ 0 0 27 -2,-0.3 3,-0.1 1,-0.3 -191,-0.1 0.765 130.1 39.4 -56.1 -25.1 11.1 -28.7 26.9 261 261 A D T 3 S+ 0 0 15 1,-0.2 2,-0.4 -53,-0.1 -51,-0.3 0.708 120.1 39.8 -92.1 -24.5 7.8 -28.3 25.1 262 262 A D B < +H 259 0F 7 -3,-0.8 -3,-2.0 -5,-0.2 3,-0.2 -0.926 45.4 163.6-139.9 104.0 5.3 -28.1 28.0 263 263 A V > + 0 0 0 -2,-0.4 4,-1.6 -5,-0.2 5,-0.1 0.090 49.3 109.4-108.1 25.5 6.0 -26.3 31.3 264 264 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 74.0 55.3 -62.9 -42.1 2.3 -26.3 32.4 265 265 A Y H > S+ 0 0 3 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.904 108.3 44.7 -66.6 -47.2 3.0 -28.8 35.2 266 266 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.866 110.9 56.8 -63.0 -33.7 5.7 -26.8 36.9 267 267 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.923 103.2 53.6 -62.7 -43.7 3.5 -23.7 36.5 268 268 A Y H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.933 112.2 45.5 -51.4 -48.1 0.7 -25.4 38.4 269 269 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.930 112.1 48.6 -67.8 -45.2 3.0 -26.2 41.3 270 270 A L H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.930 115.2 45.2 -64.6 -41.7 4.6 -22.7 41.5 271 271 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.892 107.4 58.8 -69.0 -38.5 1.2 -21.0 41.4 272 272 A A H X S+ 0 0 5 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.919 109.2 44.2 -55.3 -44.4 -0.3 -23.5 44.0 273 273 A R H < S+ 0 0 49 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.899 114.4 49.7 -68.1 -41.6 2.4 -22.4 46.5 274 274 A I H < S+ 0 0 46 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.936 117.1 38.6 -62.0 -50.8 2.0 -18.7 45.8 275 275 A K H < S- 0 0 70 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.906 76.8-176.0 -70.3 -40.0 -1.8 -18.6 46.1 276 276 A N < + 0 0 74 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.852 41.8 123.2 43.9 44.8 -2.0 -21.1 49.1 277 277 A D S S- 0 0 96 -5,-0.2 -1,-0.1 0, 0.0 3,-0.1 0.067 83.6-110.9-122.8 25.3 -5.8 -20.9 48.9 278 278 A N S S+ 0 0 125 -6,-0.2 -6,-0.0 1,-0.1 2,-0.0 0.850 76.6 136.9 52.3 37.8 -6.6 -24.6 48.4 279 279 A G > - 0 0 19 -7,-0.1 4,-2.0 4,-0.0 3,-0.3 0.040 68.0 -58.9-105.8-153.0 -7.7 -23.8 44.9 280 280 A K H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.753 123.6 56.3 -70.9 -25.6 -7.5 -25.0 41.3 281 281 A Y H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.896 107.9 49.2 -75.2 -40.3 -3.7 -25.0 41.0 282 282 A K H > S+ 0 0 34 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.949 112.5 48.9 -53.4 -52.7 -3.3 -27.3 44.0 283 283 A E H X S+ 0 0 103 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.908 111.1 50.6 -57.2 -39.0 -6.0 -29.5 42.5 284 284 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.917 111.4 44.6 -71.9 -45.1 -4.2 -29.5 39.1 285 285 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.881 113.4 52.3 -64.7 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23.0-113.3 110.7 151.4 -3.3 -43.3 40.1 296 296 A Y B > S-I 299 0G 49 3,-3.4 3,-1.2 -5,-0.2 -9,-0.0 -0.966 87.3 -22.4-123.7 117.1 -6.0 -40.7 39.5 297 297 A N T 3 S- 0 0 132 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.913 130.6 -45.0 54.1 45.6 -9.6 -41.8 39.3 298 298 A G T 3 S+ 0 0 85 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.522 119.2 105.1 81.1 6.1 -8.6 -45.3 38.3 299 299 A E B < +I 296 0G 91 -3,-1.2 -3,-3.4 0, 0.0 2,-0.3 -0.943 39.9 170.5-123.3 147.8 -6.0 -44.3 35.8 300 300 A R - 0 0 128 -2,-0.4 -8,-0.2 -5,-0.3 -9,-0.1 -0.999 37.5 -98.1-151.3 144.5 -2.2 -44.4 36.1 301 301 A I - 0 0 6 -10,-2.4 2,-0.1 -2,-0.3 10,-0.1 -0.267 55.2 -89.6 -57.1 151.4 0.8 -44.0 33.9 302 302 A T - 0 0 83 8,-0.4 8,-3.1 7,-0.1 2,-0.3 -0.423 44.4-161.2 -58.7 135.1 2.3 -47.2 32.5 303 303 A Y B -J 309 0H 47 6,-0.2 6,-0.2 -2,-0.1 105,-0.0 -0.930 15.2-125.9-116.5 147.1 5.0 -48.7 34.8 304 304 A T > - 0 0 6 4,-2.2 3,-1.8 -2,-0.3 105,-0.2 -0.443 33.0-107.3 -79.6 160.0 7.7 -51.2 33.8 305 305 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 104,-0.1 0.871 121.4 54.4 -58.3 -33.0 7.9 -54.4 35.8 306 306 A K T 3 S- 0 0 131 2,-0.1 103,-0.1 1,-0.0 52,-0.0 0.354 127.7 -96.3 -88.8 7.6 11.2 -53.1 37.4 307 307 A G S < S+ 0 0 27 -3,-1.8 2,-0.5 1,-0.3 47,-0.1 0.532 71.5 143.2 102.6 7.2 9.4 -49.9 38.5 308 308 A L - 0 0 1 46,-0.1 -4,-2.2 100,-0.1 2,-0.6 -0.707 50.1-130.9 -77.9 125.7 10.1 -47.1 35.9 309 309 A A B -J 303 0H 0 -2,-0.5 2,-0.6 -6,-0.2 -6,-0.2 -0.695 32.2-156.9 -75.7 119.3 7.1 -44.7 35.3 310 310 A W + 0 0 41 -8,-3.1 -8,-0.4 -2,-0.6 3,-0.1 -0.874 29.0 165.3-120.1 105.5 7.2 -44.9 31.6 311 311 A L - 0 0 22 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.813 66.6 -15.1 -91.0 -30.2 5.6 -42.0 29.6 312 312 A D - 0 0 46 2,-0.0 -1,-0.3 1,-0.0 7,-0.1 -0.976 63.5-103.0-170.4 159.1 6.9 -42.6 26.1 313 313 A Q S S+ 0 0 104 -2,-0.3 2,-0.5 -3,-0.1 3,-0.4 0.718 101.2 71.6 -70.5 -22.2 9.6 -44.5 24.1 314 314 A W S S- 0 0 99 1,-0.2 5,-0.1 2,-0.1 106,-0.1 -0.851 118.3 -10.5 -99.1 124.9 11.8 -41.4 23.6 315 315 A G S > S+ 0 0 0 -2,-0.5 4,-2.2 105,-0.4 -1,-0.2 0.924 74.6 166.5 58.8 44.6 13.6 -40.1 26.7 316 316 A S H > S+ 0 0 1 -3,-0.4 4,-2.2 88,-0.3 -5,-0.3 0.938 77.8 45.9 -57.4 -45.0 11.7 -42.3 29.1 317 317 A L H > S+ 0 0 1 87,-2.0 4,-2.9 86,-0.2 5,-0.3 0.882 108.6 57.3 -66.1 -38.8 14.3 -41.6 31.9 318 318 A R H > S+ 0 0 12 86,-0.3 4,-1.9 1,-0.2 5,-0.2 0.933 110.1 43.2 -55.2 -46.9 14.1 -37.9 31.1 319 319 A Y H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.929 116.2 46.5 -71.8 -42.5 10.4 -37.7 31.6 320 320 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.932 114.6 46.1 -66.0 -42.8 10.3 -39.8 34.8 321 321 A T H X S+ 0 0 1 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.850 111.9 51.6 -71.7 -32.2 13.2 -38.0 36.5 322 322 A T H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.935 111.0 47.1 -67.5 -44.6 11.8 -34.6 35.6 323 323 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.901 107.3 58.3 -61.6 -36.7 8.5 -35.5 37.1 324 324 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.864 102.7 54.2 -61.4 -34.5 10.3 -36.9 40.2 325 325 A F H X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.944 106.7 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