==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JAN-02 1KSD . COMPND 2 MOLECULE: ENDO-B-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NASUTITERMES TAKASAGOENSIS; . AUTHOR S.KHADEMI,L.A.GUARINO,H.WATANABE,G.TOKUDA,E.F.MEYER . 433 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 67.7 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 . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 17 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 1 0 0 0 0 0 1 0 2 1 3 3 1 0 1 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 . 7 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 M 0 0 215 0, 0.0 340,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.7 68.0 -39.5 -14.6 2 2 A A - 0 0 93 1,-0.1 2,-0.2 2,-0.0 431,-0.0 0.941 360.0-133.7 53.6 95.6 70.5 -42.1 -15.8 3 3 A Y - 0 0 46 1,-0.1 2,-1.5 2,-0.0 3,-0.2 -0.536 9.1-123.9 -81.3 144.7 69.8 -45.2 -13.8 4 4 A D > + 0 0 76 -2,-0.2 4,-2.0 1,-0.2 3,-0.5 -0.671 31.9 178.7 -86.8 83.8 72.7 -47.2 -12.2 5 5 A Y H > S+ 0 0 9 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.817 77.4 60.3 -58.1 -32.1 71.9 -50.6 -13.8 6 6 A K H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 107.9 43.6 -62.9 -42.6 74.9 -52.1 -12.1 7 7 A Q H > S+ 0 0 65 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.861 110.9 53.5 -72.0 -34.3 73.5 -51.3 -8.7 8 8 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.899 107.8 52.7 -65.9 -36.5 70.0 -52.4 -9.6 9 9 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.927 110.1 47.3 -61.8 -44.8 71.6 -55.7 -10.7 10 10 A R H X S+ 0 0 79 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.892 110.9 52.9 -63.0 -38.9 73.3 -56.0 -7.3 11 11 A D H X S+ 0 0 15 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.911 105.2 53.4 -62.8 -43.8 70.0 -55.1 -5.6 12 12 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.884 106.1 53.6 -59.6 -38.3 68.2 -57.9 -7.5 13 13 A L H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.845 104.4 55.5 -65.4 -31.2 70.8 -60.3 -6.2 14 14 A L H X S+ 0 0 43 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.2 0.849 103.4 55.9 -68.9 -32.4 70.0 -59.1 -2.7 15 15 A F H X S+ 0 0 0 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.935 106.9 48.6 -64.4 -44.1 66.3 -59.9 -3.3 16 16 A Y H >< S+ 0 0 1 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.883 107.3 55.0 -64.8 -34.5 67.3 -63.5 -4.1 17 17 A E H >< S+ 0 0 9 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.893 105.7 54.0 -63.1 -34.9 69.4 -63.7 -1.0 18 18 A A H 3< S+ 0 0 2 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.665 105.9 53.3 -70.8 -17.1 66.2 -62.6 0.9 19 19 A Q T << S+ 0 0 2 -3,-0.9 34,-3.2 -4,-0.7 -1,-0.2 0.427 81.2 125.5 -96.7 -2.0 64.4 -65.6 -0.7 20 20 A R B < -A 52 0A 10 -3,-1.1 2,-0.3 -4,-0.4 32,-0.2 -0.371 42.5-161.8 -65.2 132.3 66.9 -68.2 0.4 21 21 A S + 0 0 0 30,-2.8 2,-0.2 -2,-0.1 30,-0.2 -0.742 51.7 22.8-107.7 157.8 65.6 -71.2 2.4 22 22 A G B S-B 36 0B 0 14,-1.2 14,-1.5 -2,-0.3 2,-0.6 -0.539 110.6 -5.1 92.3-156.0 67.7 -73.5 4.5 23 23 A R S S- 0 0 178 12,-0.2 -2,-0.1 -2,-0.2 12,-0.1 -0.700 71.0-141.0 -82.7 119.6 71.1 -72.8 6.2 24 24 A L - 0 0 12 -2,-0.6 11,-0.1 1,-0.1 -2,-0.1 -0.553 18.7-110.5 -83.9 144.8 72.5 -69.4 5.2 25 25 A P > - 0 0 39 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.229 22.4-113.9 -70.4 158.7 76.2 -68.9 4.4 26 26 A A T 3 S+ 0 0 115 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.759 117.5 55.7 -64.0 -24.5 78.6 -66.9 6.6 27 27 A D T 3 S+ 0 0 90 2,-0.0 -1,-0.3 4,-0.0 4,-0.1 0.221 74.8 142.0 -94.5 15.0 78.9 -64.4 3.8 28 28 A Q < - 0 0 18 -3,-1.7 3,-0.1 1,-0.2 -4,-0.0 -0.310 35.0-164.7 -54.8 134.5 75.2 -63.8 3.5 29 29 A K S S+ 0 0 124 1,-0.2 2,-1.7 2,-0.0 -1,-0.2 0.779 79.6 66.2 -94.0 -33.6 74.6 -60.0 2.8 30 30 A V > + 0 0 13 1,-0.2 3,-1.1 -16,-0.1 -1,-0.2 -0.665 68.6 171.3 -88.9 82.5 70.9 -59.9 3.7 31 31 A T T 3 + 0 0 94 -2,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.488 60.4 74.4 -76.3 -6.9 71.6 -60.6 7.4 32 32 A W T 3 S+ 0 0 57 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.704 83.9 85.3 -78.1 -15.5 68.1 -60.0 8.8 33 33 A R < - 0 0 8 -3,-1.1 2,-0.2 96,-0.0 -14,-0.1 -0.633 69.0-163.8 -82.2 141.6 67.2 -63.3 7.2 34 34 A K - 0 0 109 -2,-0.3 -12,-0.1 1,-0.1 -2,-0.1 -0.767 31.7 -71.9-124.0 168.7 68.0 -66.4 9.3 35 35 A D + 0 0 63 -2,-0.2 2,-0.3 -11,-0.1 -12,-0.2 -0.322 65.6 157.4 -57.4 137.5 68.4 -70.2 9.0 36 36 A S B +B 22 0B 3 -14,-1.5 -14,-1.2 1,-0.1 14,-0.3 -0.975 39.8 37.6-158.5 168.8 65.0 -71.7 8.4 37 37 A A > + 0 0 13 93,-0.5 3,-1.0 -2,-0.3 13,-0.3 0.888 62.5 155.5 50.4 44.1 63.1 -74.7 7.0 38 38 A L T 3 + 0 0 92 1,-0.2 11,-0.1 -16,-0.1 -1,-0.1 0.489 63.7 57.9 -79.6 -3.0 65.9 -76.9 8.3 39 39 A N T 3 + 0 0 132 9,-0.1 -1,-0.2 8,-0.1 2,-0.1 0.323 69.4 135.5-107.4 4.7 63.6 -80.0 8.5 40 40 A D < + 0 0 4 -3,-1.0 8,-2.4 8,-0.1 9,-0.3 -0.360 31.6 151.4 -57.3 123.8 62.5 -80.0 4.9 41 41 A Q B -C 47 0C 96 96,-0.4 6,-0.2 6,-0.2 98,-0.1 -0.991 38.9-114.5-155.7 160.2 62.7 -83.7 3.8 42 42 A G > - 0 0 8 4,-1.9 3,-1.8 -2,-0.3 6,-0.1 -0.088 52.2 -74.8 -86.8-172.4 61.2 -86.3 1.4 43 43 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.0 2,-0.1 97,-0.0 0.800 133.2 38.4 -52.8 -38.7 59.2 -89.5 2.0 44 44 A Q T 3 S- 0 0 140 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.283 127.4 -93.5 -98.4 9.3 62.2 -91.4 3.2 45 45 A G < + 0 0 39 -3,-1.8 -2,-0.1 1,-0.2 3,-0.1 0.627 66.6 167.8 89.8 13.2 63.7 -88.5 5.2 46 46 A Q - 0 0 50 1,-0.1 -4,-1.9 2,-0.1 2,-0.3 -0.352 45.9-100.6 -61.1 139.6 66.0 -87.4 2.3 47 47 A D B +C 41 0C 82 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.467 48.0 165.3 -65.9 122.8 67.5 -83.9 2.9 48 48 A L + 0 0 0 -8,-2.4 -7,-0.2 -2,-0.3 -1,-0.1 0.029 26.5 137.0-125.7 23.7 65.5 -81.3 1.0 49 49 A T + 0 0 24 -9,-0.3 2,-0.3 -11,-0.1 -11,-0.1 -0.388 47.0 34.8 -72.8 150.6 66.8 -78.2 2.7 50 50 A G + 0 0 12 -13,-0.3 -28,-0.2 -14,-0.3 49,-0.1 -0.699 61.3 106.8 108.0-160.9 67.8 -75.2 0.7 51 51 A G S S- 0 0 1 47,-0.7 -30,-2.8 -2,-0.3 2,-0.4 -0.192 73.4 -58.7 76.9-174.5 66.4 -73.7 -2.5 52 52 A Y B -A 20 0A 2 -32,-0.2 2,-0.2 47,-0.1 -32,-0.2 -0.869 37.1-123.8-112.4 141.8 64.3 -70.5 -2.7 53 53 A F - 0 0 2 -34,-3.2 7,-0.2 -2,-0.4 362,-0.2 -0.595 33.7-128.6 -72.8 143.6 61.0 -69.6 -1.1 54 54 A D - 0 0 6 5,-2.6 361,-2.7 -2,-0.2 362,-0.3 0.949 63.0 -38.1 -64.9 -56.4 58.7 -68.8 -4.0 55 55 A A S S- 0 0 10 359,-0.3 359,-0.2 4,-0.2 -2,-0.1 0.006 108.5 -25.9-137.3-118.0 57.2 -65.4 -3.1 56 56 A G S S+ 0 0 5 357,-0.3 305,-1.9 303,-0.1 306,-0.2 0.407 124.0 67.5 -89.5 2.4 56.0 -63.7 0.0 57 57 A D S S- 0 0 10 303,-0.1 305,-0.1 2,-0.1 -2,-0.1 -0.291 87.2-118.0-106.5-169.9 55.4 -67.2 1.4 58 58 A F + 0 0 3 -5,-0.1 2,-0.3 -2,-0.1 62,-0.0 0.133 67.4 119.9-123.7 20.6 57.6 -70.1 2.4 59 59 A V - 0 0 0 61,-0.1 -5,-2.6 59,-0.0 2,-0.9 -0.625 59.3-137.4 -83.3 145.1 56.5 -72.8 -0.0 60 60 A K E -D 117 0D 0 57,-2.4 57,-1.1 -2,-0.3 2,-0.9 -0.871 21.4-168.6-104.8 95.8 59.2 -74.1 -2.3 61 61 A F E > -D 116 0D 3 -2,-0.9 4,-1.9 -9,-0.2 55,-0.2 -0.789 6.5-159.5 -89.7 104.4 57.3 -74.4 -5.7 62 62 A G H > S+ 0 0 3 53,-2.7 4,-2.1 -2,-0.9 5,-0.2 0.753 80.2 58.4 -56.5 -33.8 59.6 -76.3 -8.0 63 63 A F H > S+ 0 0 0 52,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.984 114.0 33.9 -67.6 -57.2 58.2 -75.3 -11.3 64 64 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.835 116.4 58.3 -69.2 -25.0 58.7 -71.5 -11.0 65 65 A M H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.918 108.1 45.8 -67.2 -40.5 61.9 -72.1 -9.0 66 66 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.923 111.6 51.5 -65.9 -45.0 63.4 -74.1 -11.9 67 67 A Y H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.912 108.4 52.9 -56.7 -43.8 62.2 -71.5 -14.4 68 68 A T H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.935 109.6 48.1 -57.5 -47.8 63.9 -68.8 -12.3 69 69 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.897 110.4 51.3 -61.7 -42.4 67.2 -70.8 -12.3 70 70 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.937 113.3 43.9 -62.2 -46.4 67.1 -71.3 -16.1 71 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.872 113.4 50.0 -68.7 -37.6 66.6 -67.6 -16.9 72 72 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.931 113.8 46.2 -66.1 -42.6 69.2 -66.4 -14.3 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.911 108.8 56.8 -63.9 -41.7 71.7 -68.9 -15.8 74 74 A W H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.918 107.9 46.6 -55.4 -47.1 70.8 -67.8 -19.3 75 75 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.847 110.0 54.3 -65.8 -33.8 71.6 -64.2 -18.5 76 76 A L H < S+ 0 0 5 -4,-1.7 4,-0.2 2,-0.2 -1,-0.2 0.823 110.9 46.6 -68.1 -32.3 74.9 -65.3 -16.9 77 77 A I H < S+ 0 0 37 -4,-1.9 3,-0.4 -3,-0.2 -2,-0.2 0.915 122.4 31.4 -76.6 -46.5 75.9 -67.1 -20.1 78 78 A D H < S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.751 132.6 30.3 -85.3 -25.5 75.0 -64.5 -22.7 79 79 A F >X + 0 0 6 -4,-2.2 3,-1.3 -5,-0.3 4,-1.0 -0.181 68.1 136.1-129.3 43.0 75.7 -61.4 -20.6 80 80 A E H 3> S+ 0 0 92 -3,-0.4 4,-2.5 1,-0.3 3,-0.4 0.872 71.2 64.8 -56.0 -38.5 78.5 -62.4 -18.2 81 81 A A H 3> S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.820 96.4 57.8 -55.2 -33.1 80.2 -59.1 -18.9 82 82 A G H <> S+ 0 0 0 -3,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.918 108.1 44.7 -64.6 -43.6 77.3 -57.4 -17.3 83 83 A Y H <>S+ 0 0 1 -4,-1.0 5,-3.1 -3,-0.4 6,-0.4 0.928 114.3 49.2 -66.0 -45.5 77.8 -59.3 -14.0 84 84 A S H ><5S+ 0 0 57 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.905 107.9 53.3 -61.4 -43.1 81.6 -58.7 -14.1 85 85 A S H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.814 111.0 47.8 -62.2 -29.5 81.3 -55.0 -14.8 86 86 A A T 3<5S- 0 0 2 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.389 113.8-119.8 -90.9 2.6 79.0 -54.8 -11.7 87 87 A G T < 5S+ 0 0 71 -3,-1.6 -3,-0.2 -4,-0.2 4,-0.1 0.849 86.1 111.5 61.2 35.0 81.4 -56.8 -9.6 88 88 A A >< + 0 0 3 -5,-3.1 4,-2.3 -6,-0.1 -4,-0.2 0.085 28.2 110.0-126.8 23.1 78.7 -59.4 -9.2 89 89 A L H > S+ 0 0 27 -6,-0.4 4,-2.3 2,-0.2 5,-0.2 0.942 83.0 46.9 -65.5 -47.5 79.9 -62.4 -11.1 90 90 A D H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 115.4 46.1 -59.3 -47.2 80.5 -64.5 -8.1 91 91 A D H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 109.3 55.6 -64.4 -36.1 77.2 -63.6 -6.5 92 92 A G H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.927 109.5 46.1 -61.5 -44.5 75.4 -64.3 -9.9 93 93 A R H X S+ 0 0 47 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.899 110.2 54.2 -64.4 -40.3 76.8 -67.8 -9.9 94 94 A K H X S+ 0 0 81 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.846 103.4 56.2 -63.2 -34.4 75.9 -68.3 -6.3 95 95 A A H X S+ 0 0 3 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.890 111.4 43.2 -65.3 -39.3 72.3 -67.3 -7.1 96 96 A V H >X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 3,-0.8 0.941 113.4 51.4 -70.2 -46.7 72.1 -70.0 -9.7 97 97 A K H 3X S+ 0 0 67 -4,-2.7 4,-2.6 1,-0.3 5,-0.3 0.799 99.0 64.4 -62.3 -29.9 73.8 -72.6 -7.5 98 98 A W H 3X S+ 0 0 44 -4,-2.0 -47,-0.7 -5,-0.2 4,-0.7 0.905 111.2 38.6 -61.1 -36.8 71.5 -72.0 -4.6 99 99 A A H S-F 112 0E 56 3,-1.2 3,-2.1 -3,-0.2 -1,-0.1 -0.959 88.6 -95.5-149.4 161.2 66.2 -91.1 -7.9 110 110 A Q T 3 S+ 0 0 105 -2,-0.3 77,-0.2 1,-0.3 -1,-0.1 0.881 126.4 26.0 -47.9 -45.8 66.8 -91.1 -11.7 111 111 A N T 3 S+ 0 0 56 76,-0.1 33,-0.4 75,-0.1 2,-0.4 -0.134 110.8 83.9-112.2 37.5 63.0 -91.0 -12.4 112 112 A E B < +F 109 0E 37 -3,-2.1 -3,-1.2 31,-0.2 2,-0.4 -0.998 49.4 172.9-139.4 133.2 61.9 -89.4 -9.2 113 113 A F E - E 0 142D 1 29,-2.3 29,-2.8 -2,-0.4 2,-0.6 -0.968 27.8-135.5-147.5 127.7 61.8 -85.7 -8.4 114 114 A Y E + E 0 141D 1 -8,-2.3 27,-0.3 -2,-0.4 3,-0.1 -0.707 22.2 178.3 -82.9 122.0 60.4 -83.6 -5.5 115 115 A G E + 0 0 0 25,-1.9 -53,-2.7 -2,-0.6 -52,-0.4 0.400 59.7 27.2-105.0 1.6 58.6 -80.6 -6.9 116 116 A Q E -DE 61 140D 0 24,-1.3 24,-2.4 -55,-0.2 2,-0.4 -0.957 46.0-170.3-164.8 143.3 57.3 -79.0 -3.7 117 117 A V E +DE 60 139D 0 -57,-1.1 -57,-2.4 -2,-0.3 22,-0.2 -0.990 69.5 29.2-134.1 123.4 58.0 -78.6 0.1 118 118 A G S S- 0 0 0 20,-3.2 2,-0.4 -2,-0.4 19,-0.2 0.110 82.4-103.5 101.6 142.0 55.3 -77.0 2.1 119 119 A Q > - 0 0 62 17,-0.4 4,-2.7 1,-0.1 5,-0.4 -0.839 23.2-127.9-100.9 138.2 51.6 -77.0 1.6 120 120 A G H > S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.920 105.4 39.8 -48.1 -55.8 49.9 -73.9 0.2 121 121 A D H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.929 117.2 45.9 -63.6 -49.1 47.2 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1,-0.1 4,-0.2 -0.955 48.4-157.0-161.7 140.3 51.0 -77.4 -21.3 211 211 A Y S > S+ 0 0 29 -2,-0.3 4,-1.3 -3,-0.1 3,-0.3 0.565 78.0 86.4 -98.2 -10.8 54.2 -79.4 -20.8 212 212 A R H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.856 85.5 53.4 -60.1 -37.5 55.1 -79.7 -24.5 213 213 A D H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 104.6 56.1 -67.9 -33.5 57.0 -76.4 -24.7 214 214 A E H > S+ 0 0 0 -3,-0.3 4,-3.1 -4,-0.2 -1,-0.2 0.841 102.4 56.3 -65.8 -33.1 59.2 -77.5 -21.7 215 215 A L H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.921 111.6 41.8 -65.3 -41.6 60.3 -80.6 -23.5 216 216 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.922 115.1 51.7 -68.8 -44.0 61.6 -78.6 -26.5 217 217 A W H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.930 112.0 46.2 -57.1 -49.4 63.1 -76.0 -24.1 218 218 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.917 112.0 49.7 -62.8 -45.6 64.9 -78.7 -22.1 219 219 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.903 110.1 51.9 -61.2 -40.8 66.2 -80.5 -25.2 220 220 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.918 111.1 46.7 -62.5 -44.1 67.5 -77.2 -26.7 221 221 A W H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.886 110.4 52.7 -66.2 -38.2 69.4 -76.5 -23.4 222 222 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 6,-0.4 0.870 108.3 51.1 -65.8 -35.2 70.8 -80.0 -23.3 223 223 A Y H X S+ 0 0 35 -4,-2.1 4,-3.6 2,-0.2 3,-0.3 0.948 110.4 49.1 -65.2 -45.7 72.1 -79.6 -26.9 224 224 A R H < S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.5 44.2 -59.9 -37.9 73.7 -76.3 -25.9 225 225 A A H < S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.690 128.7 24.8 -81.5 -20.1 75.3 -77.9 -22.9 226 226 A T H < S- 0 0 31 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.671 82.9-138.2-116.3 -26.2 76.5 -81.1 -24.6 227 227 A N < + 0 0 122 -4,-3.6 2,-0.8 -5,-0.3 -4,-0.1 0.736 53.1 150.9 67.8 21.4 76.9 -80.3 -28.3 228 228 A D >> - 0 0 68 -6,-0.4 3,-2.0 -5,-0.3 4,-0.8 -0.787 43.8-148.9 -89.5 107.8 75.2 -83.7 -28.7 229 229 A N H 3> S+ 0 0 95 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.733 89.9 71.7 -48.1 -29.7 73.3 -83.6 -32.0 230 230 A T H 3> S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.867 97.2 50.3 -58.0 -36.1 70.7 -86.0 -30.6 231 231 A Y H <> S+ 0 0 21 -3,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.871 110.1 49.1 -70.5 -36.7 69.3 -83.3 -28.4 232 232 A L H X S+ 0 0 18 -4,-0.8 4,-2.8 2,-0.2 5,-0.2 0.924 111.6 49.2 -67.6 -43.4 69.1 -80.8 -31.2 233 233 A N H X S+ 0 0 93 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.910 114.3 45.7 -61.4 -43.0 67.3 -83.3 -33.4 234 234 A T H X S+ 0 0 34 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.943 111.7 52.1 -65.4 -47.1 64.9 -84.0 -30.6 235 235 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.934 115.9 39.9 -54.2 -50.4 64.4 -80.3 -29.9 236 236 A E H X S+ 0 0 23 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.837 113.4 53.9 -70.7 -34.7 63.6 -79.5 -33.5 237 237 A S H X S+ 0 0 69 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.931 113.4 42.6 -65.6 -44.9 61.5 -82.7 -34.1 238 238 A L H X S+ 0 0 14 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.857 109.3 58.5 -69.1 -35.4 59.3 -81.9 -31.1 239 239 A Y H X>S+ 0 0 6 -4,-1.9 5,-1.9 -5,-0.3 4,-0.5 0.923 113.8 38.5 -59.5 -43.7 59.1 -78.2 -32.0 240 240 A D H <5S+ 0 0 102 -4,-2.0 3,-0.3 3,-0.2 -2,-0.2 0.910 115.3 52.2 -73.5 -43.2 57.6 -79.2 -35.4 241 241 A E H <5S+ 0 0 135 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.920 117.2 38.8 -58.4 -45.7 55.5 -82.0 -34.0 242 242 A F H <5S- 0 0 27 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.564 105.5-132.6 -82.0 -10.6 54.0 -79.7 -31.4 243 243 A G T ><5 + 0 0 16 -4,-0.5 3,-2.0 -3,-0.3 -3,-0.2 0.876 39.3 168.7 60.2 42.2 53.8 -76.8 -33.9 244 244 A L G > < + 0 0 0 -5,-1.9 3,-1.8 1,-0.3 -4,-0.1 0.722 63.3 78.4 -58.1 -23.5 55.4 -74.2 -31.5 245 245 A Q G 3 S+ 0 0 78 -6,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.784 100.5 42.4 -57.9 -24.0 55.8 -71.8 -34.4 246 246 A N G < S+ 0 0 140 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.363 89.4 113.2-104.3 4.1 52.1 -71.0 -34.0 247 247 A W S < S- 0 0 66 -3,-1.8 -4,-0.0 -4,-0.2 -3,-0.0 -0.419 82.6 -86.6 -75.0 152.7 51.9 -70.9 -30.2 248 248 A G - 0 0 61 1,-0.1 10,-0.2 -2,-0.1 9,-0.1 -0.333 53.2-113.4 -58.5 136.2 51.1 -67.6 -28.5 249 249 A G + 0 0 44 8,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.205 62.3 89.5 -71.1 163.1 54.3 -65.7 -27.9 250 250 A G - 0 0 8 6,-0.1 8,-1.9 59,-0.1 2,-0.4 -0.416 54.2-122.3 129.5 154.4 55.8 -64.9 -24.5 251 251 A L + 0 0 4 55,-0.2 2,-0.3 7,-0.2 5,-0.2 -0.997 47.0 121.7-133.0 126.7 58.2 -66.1 -21.9 252 252 A N S S- 0 0 29 3,-2.3 7,-0.1 -2,-0.4 5,-0.0 -0.931 76.2 -71.8-165.9 179.0 57.3 -66.8 -18.3 253 253 A W S S+ 0 0 37 -2,-0.3 3,-0.1 1,-0.2 -186,-0.1 0.745 131.2 39.8 -56.9 -23.7 57.3 -69.6 -15.7 254 254 A D S S+ 0 0 38 1,-0.2 2,-0.5 -46,-0.1 -44,-0.3 0.851 117.4 42.6 -93.6 -42.3 54.4 -71.3 -17.6 255 255 A S + 0 0 28 1,-0.1 -3,-2.3 -46,-0.1 -1,-0.2 -0.932 47.1 175.8-115.7 127.1 55.2 -70.7 -21.2 256 256 A K >> + 0 0 0 -2,-0.5 4,-3.0 -5,-0.2 3,-0.6 0.399 48.0 115.3-105.0 1.4 58.7 -71.1 -22.7 257 257 A V H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -6,-0.2 0.838 78.3 39.6 -37.9 -62.3 57.6 -70.5 -26.3 258 258 A S H 3> S+ 0 0 1 -8,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.836 116.8 51.4 -64.5 -31.8 59.5 -67.2 -27.0 259 259 A G H <> S+ 0 0 0 -3,-0.6 4,-2.4 -9,-0.4 -2,-0.2 0.929 108.9 50.6 -69.1 -44.3 62.6 -68.4 -25.2 260 260 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.914 112.0 48.8 -57.3 -45.1 62.6 -71.7 -27.1 261 261 A Q H X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.922 113.9 41.9 -64.9 -47.7 62.4 -69.8 -30.4 262 262 A V H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.860 116.6 51.7 -70.4 -30.7 65.2 -67.2 -29.7 263 263 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 3,-0.2 0.954 111.9 44.0 -68.2 -51.4 67.3 -70.0 -28.2 264 264 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.5 0.841 108.2 59.7 -63.0 -32.7 66.9 -72.3 -31.2 265 265 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.910 110.9 41.9 -61.6 -39.9 67.5 -69.4 -33.6 266 266 A K H < S+ 0 0 103 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.910 116.2 47.3 -72.9 -43.4 70.9 -68.9 -31.9 267 267 A L H < S+ 0 0 35 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.797 128.4 23.6 -69.8 -30.5 71.8 -72.6 -31.8 268 268 A T H < S- 0 0 29 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.669 86.1-141.2-108.3 -23.9 70.8 -73.4 -35.4 269 269 A N < + 0 0 115 -4,-1.9 2,-0.2 -5,-0.5 -4,-0.1 0.610 46.2 158.7 69.3 12.7 71.1 -70.0 -37.1 270 270 A K > - 0 0 103 -6,-0.4 4,-1.2 1,-0.1 3,-0.5 -0.483 44.7-139.6 -72.8 135.3 68.0 -71.0 -39.0 271 271 A Q H > S+ 0 0 106 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.826 95.3 67.6 -62.7 -34.6 66.0 -68.1 -40.5 272 272 A A H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 101.6 46.1 -54.7 -46.0 62.6 -69.7 -39.7 273 273 A Y H > S+ 0 0 11 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.901 111.4 53.1 -64.4 -40.1 63.1 -69.2 -35.9 274 274 A K H X S+ 0 0 28 -4,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.845 105.7 54.0 -64.1 -34.7 64.3 -65.7 -36.5 275 275 A D H X S+ 0 0 82 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.937 109.4 47.8 -64.3 -46.1 61.1 -64.9 -38.5 276 276 A T H X S+ 0 0 35 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.907 113.0 48.3 -60.9 -43.0 59.0 -66.1 -35.6 277 277 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.918 111.2 50.0 -64.0 -45.3 61.0 -64.0 -33.1 278 278 A Q H X S+ 0 0 56 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.919 109.5 50.8 -58.0 -48.8 60.8 -60.9 -35.2 279 279 A S H X S+ 0 0 84 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.908 112.2 47.8 -56.6 -45.4 57.1 -61.1 -35.7 280 280 A Y H X S+ 0 0 28 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.950 114.9 43.5 -62.3 -52.6 56.6 -61.5 -31.9 281 281 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.929 113.1 50.4 -61.8 -47.0 58.8 -58.6 -31.0 282 282 A N H X S+ 0 0 59 -4,-3.0 4,-2.8 1,-0.2 5,-0.4 0.882 109.0 54.7 -59.6 -36.2 57.5 -56.2 -33.6 283 283 A Y H X>S+ 0 0 111 -4,-1.8 4,-3.0 -5,-0.3 5,-2.1 0.930 109.1 46.4 -61.5 -47.1 54.0 -57.1 -32.4 284 284 A L H <5S+ 0 0 3 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.943 116.9 43.1 -60.7 -50.1 54.9 -56.1 -28.8 285 285 A I H <5S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 126.9 30.1 -64.1 -42.4 56.5 -52.9 -29.8 286 286 A N H <5S+ 0 0 112 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.809 136.0 7.5 -90.8 -32.7 53.9 -51.9 -32.4 287 287 A N T <5S+ 0 0 117 -4,-3.0 -3,-0.2 -5,-0.4 3,-0.1 0.762 82.4 111.2-125.1 -33.7 50.6 -53.4 -31.2 288 288 A Q S - 0 0 5 4,-2.7 3,-2.4 -2,-0.3 107,-0.2 -0.406 44.0-100.6 -76.1 161.6 49.7 -48.1 -20.4 292 292 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 106,-0.1 0.823 124.7 54.2 -53.5 -31.3 49.6 -44.4 -21.3 293 293 A K T 3 S- 0 0 125 2,-0.1 105,-0.0 49,-0.1 -2,-0.0 0.350 127.0 -95.5 -87.6 7.1 53.1 -44.0 -20.0 294 294 A G S < S+ 0 0 29 -3,-2.4 2,-0.3 1,-0.3 43,-0.1 0.390 73.2 141.6 102.0 -4.8 54.5 -46.7 -22.2 295 295 A L - 0 0 0 1,-0.1 -4,-2.7 42,-0.1 -1,-0.3 -0.567 56.6-116.7 -76.5 130.6 54.6 -49.9 -20.1 296 296 A L B -H 290 0G 0 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.3 -0.479 27.1-154.3 -62.3 128.4 53.7 -53.1 -22.0 297 297 A Y + 0 0 35 -8,-3.1 -8,-0.2 -2,-0.2 3,-0.1 -0.844 32.2 153.1-112.8 95.6 50.5 -54.4 -20.4 298 298 A I - 0 0 57 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.765 67.9 -19.5 -92.0 -31.0 50.3 -58.1 -20.9 299 299 A D - 0 0 70 4,-0.1 -1,-0.3 1,-0.1 7,-0.1 -0.957 57.2-111.0-171.3 160.0 48.2 -59.1 -17.9 300 300 A M S > S+ 0 0 77 -2,-0.3 3,-0.6 -3,-0.1 2,-0.5 0.749 97.2 78.0 -70.8 -26.3 47.1 -57.9 -14.5 301 301 A W T 3 S- 0 0 110 1,-0.3 5,-0.2 2,-0.1 108,-0.1 -0.752 116.9 -10.9 -89.6 129.4 49.2 -60.5 -12.6 302 302 A G T 3> S+ 0 0 0 107,-0.5 4,-2.2 -2,-0.5 -1,-0.3 0.921 79.8 174.4 49.0 50.7 52.9 -59.8 -12.4 303 303 A T H <> S+ 0 0 1 -3,-0.6 4,-1.8 1,-0.2 -5,-0.3 0.902 75.6 43.2 -54.6 -49.3 52.5 -56.9 -14.9 304 304 A L H > S+ 0 0 3 89,-2.7 4,-3.0 88,-0.3 5,-0.2 0.876 109.9 58.3 -67.5 -35.2 56.1 -55.7 -14.6 305 305 A R H > S+ 0 0 12 88,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.906 107.1 48.0 -58.8 -42.7 57.4 -59.3 -14.7 306 306 A H H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.910 113.2 46.5 -66.1 -42.4 55.7 -59.7 -18.0 307 307 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 -11,-0.2 -2,-0.2 0.899 113.8 48.3 -66.8 -41.0 57.1 -56.5 -19.4 308 308 A A H X S+ 0 0 4 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.871 110.3 51.5 -67.9 -37.0 60.6 -57.3 -18.1 309 309 A N H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.924 110.5 49.1 -64.4 -43.3 60.4 -60.8 -19.6 310 310 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 108.1 54.7 -61.3 -41.3 59.4 -59.3 -22.9 311 311 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.894 107.0 50.8 -60.3 -39.5 62.4 -56.9 -22.6 312 312 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.903 107.6 51.5 -67.1 -39.5 64.7 -59.8 -22.1 313 313 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.907 110.2 51.4 -61.8 -39.1 63.4 -61.6 -25.2 314 314 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.898 108.7 49.5 -63.6 -41.4 64.0 -58.4 -27.1 315 315 A L H X S+ 0 0 2 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.869 112.4 48.1 -66.0 -36.0 67.6 -58.1 -25.8 316 316 A E H X S+ 0 0 4 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.864 110.1 52.3 -71.3 -35.6 68.2 -61.7 -26.9 317 317 A A H ><>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 3,-0.9 0.890 104.6 56.5 -66.1 -39.2 66.6 -61.0 -30.3 318 318 A A H ><5S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.3 6,-0.3 0.857 100.2 58.6 -60.4 -36.1 69.0 -58.0 -30.7 319 319 A E H 3<5S+ 0 0 92 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.766 98.4 59.5 -65.4 -25.2 71.9 -60.4 -30.2 320 320 A L T <<5S- 0 0 39 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.583 126.1-103.5 -77.5 -11.1 70.7 -62.4 -33.2 321 321 A G T < 5S+ 0 0 57 -3,-1.4 2,-0.7 -4,-0.4 3,-0.2 0.558 73.9 145.3 98.6 11.3 71.1 -59.2 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