==== 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 11-JAN-02 1KS8 . 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) . 15559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 68.8 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 . 21 4.8 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 . 18 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 42.5 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 4 1 1 0 0 0 0 0 1 1 1 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 . 6 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 0 187 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.1 67.1 -40.3 -15.7 2 2 A A - 0 0 90 1,-0.2 2,-0.2 2,-0.0 0, 0.0 0.967 360.0-167.8 55.3 59.6 70.8 -41.3 -15.6 3 3 A Y - 0 0 40 1,-0.1 2,-1.6 2,-0.0 3,-0.2 -0.570 25.9-127.0 -82.9 141.6 70.1 -44.6 -13.7 4 4 A D > + 0 0 87 -2,-0.2 4,-1.9 1,-0.2 3,-0.5 -0.654 31.4 177.4 -86.1 83.2 73.0 -46.5 -12.1 5 5 A Y H > S+ 0 0 9 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.824 76.1 60.8 -58.6 -33.8 72.2 -49.9 -13.7 6 6 A K H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 108.2 43.4 -60.3 -43.6 75.2 -51.5 -12.1 7 7 A Q H > S+ 0 0 68 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.847 110.3 54.1 -72.6 -33.1 73.8 -50.7 -8.7 8 8 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.908 107.9 52.5 -66.6 -36.3 70.3 -51.8 -9.6 9 9 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.934 110.3 46.9 -61.1 -46.3 71.9 -55.1 -10.6 10 10 A R H X S+ 0 0 81 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.888 111.2 53.0 -62.3 -38.1 73.6 -55.4 -7.3 11 11 A D H X S+ 0 0 15 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.909 105.3 53.4 -63.8 -42.3 70.3 -54.5 -5.6 12 12 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.888 106.2 53.4 -60.6 -37.7 68.5 -57.3 -7.5 13 13 A L H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.847 104.9 55.1 -66.1 -31.1 71.1 -59.7 -6.2 14 14 A L H X S+ 0 0 43 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.852 103.5 55.8 -69.1 -32.9 70.3 -58.5 -2.7 15 15 A F H X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.945 107.0 48.7 -63.6 -45.3 66.7 -59.3 -3.3 16 16 A Y H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.890 107.8 54.2 -63.3 -34.9 67.7 -62.9 -4.1 17 17 A E H >< S+ 0 0 10 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.891 105.6 54.8 -63.2 -35.2 69.8 -63.0 -0.9 18 18 A A H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.673 105.6 53.5 -69.7 -17.6 66.6 -62.0 0.9 19 19 A Q T << S+ 0 0 2 -3,-0.9 34,-3.2 -4,-0.8 -1,-0.2 0.416 80.7 126.0 -96.4 -1.4 64.7 -64.9 -0.7 20 20 A R B < -A 52 0A 9 -3,-1.2 2,-0.3 -4,-0.4 32,-0.2 -0.363 42.5-160.8 -65.7 133.7 67.2 -67.6 0.5 21 21 A S + 0 0 0 30,-2.8 2,-0.2 -2,-0.1 16,-0.1 -0.765 52.1 23.1-108.0 155.9 65.9 -70.5 2.4 22 22 A G B S-B 36 0B 0 14,-1.1 14,-1.6 -2,-0.3 2,-0.6 -0.558 110.6 -6.2 94.5-156.9 68.0 -72.8 4.6 23 23 A R S S- 0 0 157 12,-0.2 -2,-0.1 -2,-0.2 12,-0.0 -0.703 71.6-139.3 -82.2 119.7 71.3 -72.2 6.3 24 24 A L - 0 0 21 -2,-0.6 11,-0.1 1,-0.1 -2,-0.1 -0.543 19.9-109.1 -82.2 144.3 72.7 -68.8 5.2 25 25 A P > - 0 0 41 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.243 23.2-113.4 -69.9 158.0 76.4 -68.4 4.5 26 26 A A T 3 S+ 0 0 119 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.803 117.2 54.3 -60.5 -29.9 78.9 -66.4 6.7 27 27 A D T 3 S+ 0 0 95 2,-0.0 -1,-0.3 4,-0.0 4,-0.1 0.185 75.6 144.7 -92.7 18.5 79.3 -63.8 3.9 28 28 A Q < - 0 0 18 -3,-1.8 3,-0.1 1,-0.1 -4,-0.0 -0.306 34.3-163.4 -55.2 135.9 75.5 -63.2 3.6 29 29 A K S S+ 0 0 119 1,-0.2 2,-1.7 2,-0.0 -1,-0.1 0.788 80.0 66.0 -94.2 -34.2 75.0 -59.5 2.8 30 30 A V > + 0 0 13 1,-0.2 3,-1.1 -16,-0.1 -1,-0.2 -0.680 68.6 172.3 -89.0 83.8 71.3 -59.3 3.7 31 31 A T T 3 + 0 0 94 -2,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.515 61.3 74.1 -75.5 -9.3 72.0 -59.9 7.4 32 32 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.675 84.1 85.0 -77.3 -13.9 68.5 -59.3 8.8 33 33 A R < - 0 0 7 -3,-1.1 2,-0.3 96,-0.0 -14,-0.1 -0.672 69.0-164.0 -84.7 141.4 67.6 -62.7 7.2 34 34 A K - 0 0 110 -2,-0.3 -12,-0.1 1,-0.1 -2,-0.1 -0.785 31.5 -72.1-124.4 167.1 68.4 -65.7 9.4 35 35 A D + 0 0 72 -2,-0.3 2,-0.3 -11,-0.1 -12,-0.2 -0.284 65.2 156.7 -55.5 138.6 68.7 -69.5 9.0 36 36 A S B +B 22 0B 3 -14,-1.6 -14,-1.1 1,-0.1 14,-0.2 -0.979 40.4 36.9-160.3 167.9 65.3 -71.1 8.5 37 37 A A > + 0 0 13 93,-0.5 3,-1.1 -2,-0.3 13,-0.3 0.867 62.6 155.6 50.5 42.9 63.4 -74.1 7.1 38 38 A L T 3 + 0 0 70 1,-0.2 11,-0.1 -16,-0.2 -1,-0.1 0.501 64.4 57.1 -77.6 -4.5 66.3 -76.3 8.3 39 39 A N T 3 + 0 0 132 9,-0.1 -1,-0.2 8,-0.1 2,-0.2 0.279 69.6 136.1-108.1 7.7 64.0 -79.3 8.6 40 40 A D < + 0 0 5 -3,-1.1 8,-2.4 8,-0.1 9,-0.3 -0.390 32.5 154.7 -58.7 124.2 62.9 -79.3 4.9 41 41 A Q B -C 47 0C 97 96,-0.4 6,-0.2 6,-0.2 98,-0.1 -0.992 39.9-108.7-154.9 159.4 63.1 -82.9 3.8 42 42 A G > - 0 0 7 4,-2.3 3,-1.6 -2,-0.3 6,-0.1 -0.068 50.6 -84.5 -79.1-177.1 61.7 -85.6 1.4 43 43 A D T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.1 97,-0.0 0.726 131.9 41.9 -63.6 -23.6 59.5 -88.5 2.1 44 44 A Q T 3 S- 0 0 141 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.263 129.1 -94.6-104.1 8.7 62.5 -90.7 3.1 45 45 A G < + 0 0 39 -3,-1.6 -2,-0.1 1,-0.2 3,-0.1 0.608 67.2 165.9 89.7 12.2 64.0 -87.9 5.1 46 46 A Q - 0 0 50 1,-0.1 -4,-2.3 -5,-0.1 2,-0.3 -0.342 47.3 -99.9 -61.9 141.4 66.3 -86.7 2.3 47 47 A D B +C 41 0C 81 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.459 48.2 164.8 -65.6 124.0 67.8 -83.3 2.9 48 48 A L + 0 0 0 -8,-2.4 -7,-0.2 -2,-0.3 -1,-0.1 0.021 27.0 136.6-127.4 24.2 65.8 -80.6 0.9 49 49 A T + 0 0 11 -9,-0.3 2,-0.3 -11,-0.1 -11,-0.1 -0.396 47.6 34.1 -73.2 151.4 67.2 -77.6 2.8 50 50 A G + 0 0 11 -13,-0.3 -28,-0.2 -14,-0.2 49,-0.1 -0.695 62.6 106.1 106.3-160.3 68.2 -74.5 0.7 51 51 A G S S- 0 0 1 47,-0.7 -30,-2.8 -2,-0.3 2,-0.4 -0.183 73.9 -56.7 75.5-174.0 66.7 -73.1 -2.4 52 52 A Y B -A 20 0A 2 -32,-0.2 2,-0.2 47,-0.1 -32,-0.2 -0.862 37.1-124.6-111.3 140.9 64.6 -69.9 -2.7 53 53 A F - 0 0 2 -34,-3.2 7,-0.2 -2,-0.4 362,-0.2 -0.585 34.5-127.3 -72.0 143.5 61.4 -69.0 -1.0 54 54 A D - 0 0 5 5,-2.6 361,-3.0 -2,-0.2 362,-0.3 0.944 62.9 -41.3 -63.9 -54.6 59.0 -68.2 -3.9 55 55 A A S S- 0 0 2 359,-0.3 359,-0.2 4,-0.2 -2,-0.1 -0.024 108.1 -24.3-141.8-117.3 57.6 -64.7 -3.1 56 56 A G S S+ 0 0 2 357,-0.3 305,-1.9 303,-0.1 306,-0.2 0.428 124.3 67.2 -89.3 0.8 56.4 -63.0 0.1 57 57 A D S S- 0 0 11 303,-0.1 -2,-0.1 2,-0.1 305,-0.1 -0.286 87.2-118.4-104.8-170.3 55.7 -66.5 1.5 58 58 A F + 0 0 3 -5,-0.1 2,-0.3 -2,-0.1 62,-0.0 0.159 67.5 119.2-123.7 19.3 57.9 -69.4 2.4 59 59 A V - 0 0 0 61,-0.1 -5,-2.6 59,-0.0 2,-0.9 -0.612 59.5-137.4 -82.9 144.9 56.8 -72.2 0.1 60 60 A K E -D 117 0D 0 57,-2.5 57,-1.2 -2,-0.3 2,-0.8 -0.882 21.9-169.6-104.4 97.1 59.5 -73.5 -2.3 61 61 A F E > -D 116 0D 3 -2,-0.9 4,-1.7 -9,-0.2 55,-0.2 -0.822 7.7-158.2 -91.4 107.9 57.6 -73.8 -5.6 62 62 A G H > S+ 0 0 2 53,-2.8 4,-2.2 -2,-0.8 5,-0.2 0.758 80.7 58.2 -59.3 -33.0 59.9 -75.7 -8.0 63 63 A F H > S+ 0 0 2 52,-0.4 4,-2.3 2,-0.2 5,-0.2 0.989 113.6 35.2 -67.2 -59.1 58.5 -74.6 -11.3 64 64 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.836 116.5 57.5 -65.9 -25.3 59.0 -70.8 -10.9 65 65 A M H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.918 108.7 44.8 -68.4 -40.9 62.2 -71.5 -9.0 66 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.920 112.4 51.7 -66.8 -44.0 63.6 -73.4 -11.9 67 67 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.923 109.1 51.4 -56.9 -45.6 62.5 -70.8 -14.4 68 68 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.935 110.2 48.8 -57.5 -47.9 64.1 -68.1 -12.3 69 69 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.900 110.6 50.4 -60.3 -43.5 67.4 -70.1 -12.3 70 70 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.938 113.0 44.9 -62.1 -47.8 67.3 -70.6 -16.0 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.884 113.4 49.8 -66.3 -38.4 66.8 -66.9 -16.8 72 72 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.939 114.2 45.3 -65.4 -43.9 69.4 -65.8 -14.3 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.900 109.1 57.4 -64.4 -40.0 71.9 -68.2 -15.8 74 74 A W H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.919 109.1 44.3 -56.6 -46.5 70.9 -67.2 -19.3 75 75 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.852 110.0 56.0 -68.1 -34.2 71.8 -63.6 -18.6 76 76 A L H < S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.815 111.7 44.4 -66.0 -31.9 75.0 -64.6 -16.9 77 77 A I H >< S+ 0 0 35 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.944 121.9 33.6 -78.0 -51.8 76.1 -66.4 -20.0 78 78 A D H 3< S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.753 132.7 29.4 -77.8 -25.9 75.1 -63.8 -22.7 79 79 A F T >X S+ 0 0 6 -4,-2.3 3,-1.4 -5,-0.3 4,-1.1 -0.177 70.4 136.0-129.7 42.0 75.9 -60.7 -20.6 80 80 A E H <> S+ 0 0 83 -3,-0.6 4,-2.6 1,-0.3 3,-0.2 0.850 70.9 64.2 -56.4 -36.2 78.6 -61.9 -18.3 81 81 A A H 3> S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.819 96.7 57.6 -58.9 -31.5 80.4 -58.6 -19.0 82 82 A G H <> S+ 0 0 0 -3,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.921 108.3 44.7 -65.7 -44.1 77.6 -56.8 -17.4 83 83 A Y H <>S+ 0 0 1 -4,-1.1 5,-3.2 -3,-0.2 6,-0.5 0.920 114.5 49.5 -65.0 -44.3 78.0 -58.7 -14.1 84 84 A S H ><5S+ 0 0 59 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.910 108.1 52.4 -62.4 -43.0 81.8 -58.2 -14.3 85 85 A S H 3<5S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.1 48.5 -63.2 -28.4 81.5 -54.5 -14.9 86 86 A A T 3<5S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.402 113.7-119.7 -91.0 2.1 79.3 -54.2 -11.9 87 87 A G T < 5S+ 0 0 70 -3,-1.6 -3,-0.2 -4,-0.2 4,-0.2 0.846 85.9 112.8 61.7 33.9 81.8 -56.3 -9.8 88 88 A A >< + 0 0 3 -5,-3.2 4,-2.5 -6,-0.2 -4,-0.2 0.112 27.9 109.5-124.0 20.6 79.0 -58.8 -9.3 89 89 A L H > S+ 0 0 29 -6,-0.5 4,-2.3 2,-0.2 5,-0.2 0.944 83.4 46.1 -63.2 -48.5 80.2 -61.8 -11.2 90 90 A D H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 115.9 45.6 -60.0 -47.6 80.8 -63.9 -8.1 91 91 A D H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 109.8 55.8 -64.6 -36.2 77.5 -63.0 -6.6 92 92 A G H X S+ 0 0 1 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.928 109.5 45.8 -60.9 -44.7 75.7 -63.6 -9.9 93 93 A R H X S+ 0 0 44 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.906 110.4 54.4 -64.1 -40.7 77.1 -67.1 -9.9 94 94 A K H X S+ 0 0 89 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.859 103.5 55.8 -61.4 -36.5 76.2 -67.6 -6.3 95 95 A A H X S+ 0 0 3 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.879 111.7 43.1 -64.4 -37.9 72.6 -66.6 -7.1 96 96 A V H >X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 3,-0.8 0.939 113.2 51.4 -72.5 -46.4 72.4 -69.4 -9.7 97 97 A K H 3X S+ 0 0 64 -4,-2.8 4,-2.7 1,-0.3 5,-0.3 0.809 99.2 64.2 -62.7 -30.2 74.1 -72.0 -7.5 98 98 A W H 3X S+ 0 0 44 -4,-2.1 -47,-0.7 -5,-0.2 4,-0.7 0.892 111.1 38.9 -61.4 -35.2 71.8 -71.3 -4.6 99 99 A A H S-F 112 0E 56 3,-1.2 3,-2.1 -3,-0.2 -1,-0.1 -0.956 88.8 -96.8-148.5 160.7 66.4 -90.5 -7.9 110 110 A Q T 3 S+ 0 0 105 -2,-0.3 77,-0.2 1,-0.3 -1,-0.1 0.875 126.4 26.5 -49.4 -43.1 67.0 -90.5 -11.7 111 111 A N T 3 S+ 0 0 56 76,-0.1 33,-0.4 75,-0.1 2,-0.4 -0.137 110.8 83.7-113.4 36.4 63.2 -90.4 -12.4 112 112 A E B < +F 109 0E 37 -3,-2.1 -3,-1.2 31,-0.2 2,-0.3 -0.999 49.5 173.4-138.8 134.4 62.1 -88.7 -9.2 113 113 A F E - E 0 142D 1 29,-2.4 29,-2.6 -2,-0.4 2,-0.6 -0.962 27.8-135.0-148.0 126.6 62.0 -85.0 -8.4 114 114 A Y E + E 0 141D 1 -8,-2.5 27,-0.3 -2,-0.3 3,-0.1 -0.692 22.7 177.9 -81.4 122.2 60.7 -83.0 -5.5 115 115 A G E + 0 0 1 25,-1.9 -53,-2.8 -2,-0.6 -52,-0.4 0.409 59.5 27.5-105.1 0.6 58.8 -80.0 -6.8 116 116 A Q E -DE 61 140D 0 24,-1.4 24,-2.3 -55,-0.2 2,-0.4 -0.960 45.9-170.3-163.6 142.3 57.6 -78.4 -3.6 117 117 A V E S+DE 60 139D 0 -57,-1.2 -57,-2.5 -2,-0.3 22,-0.2 -0.986 70.4 29.0-133.1 122.0 58.3 -78.0 0.1 118 118 A G S S- 0 0 0 20,-3.1 2,-0.4 -2,-0.4 19,-0.2 0.096 82.6-104.8 103.5 141.1 55.6 -76.4 2.1 119 119 A Q > - 0 0 61 17,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.834 24.2-127.2 -99.4 139.6 51.9 -76.5 1.6 120 120 A G H > S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.916 105.0 40.7 -50.1 -52.5 50.2 -73.4 0.2 121 121 A D H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.939 116.5 45.8 -66.3 -48.6 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21.3-136.3-132.9 165.2 57.3 -84.9 -5.8 142 142 A I E +E 113 0D 0 -29,-2.6 -29,-2.4 -2,-0.3 2,-0.2 -0.859 34.0 157.9-113.9 152.1 56.8 -86.1 -9.4 143 143 A D - 0 0 25 3,-2.2 -31,-0.2 -2,-0.3 3,-0.2 -0.848 58.6 -65.4-155.3-169.1 57.9 -89.6 -10.5 144 144 A T S S+ 0 0 72 -33,-0.4 -32,-0.1 -2,-0.2 -2,-0.0 0.792 133.4 42.7 -62.7 -27.4 57.2 -92.2 -13.1 145 145 A S S S+ 0 0 92 1,-0.3 -1,-0.2 46,-0.0 -3,-0.0 0.734 126.8 32.1 -88.7 -24.9 53.6 -92.7 -11.9 146 146 A R S S- 0 0 132 -3,-0.2 -3,-2.2 47,-0.0 -1,-0.3 -0.750 89.9-169.9-133.2 82.5 52.9 -89.0 -11.4 147 147 A P - 0 0 24 0, 0.0 51,-0.2 0, 0.0 50,-0.2 -0.010 21.6-170.2 -70.6 173.4 55.0 -87.1 -14.1 148 148 A G > + 0 0 1 43,-0.5 4,-3.0 39,-0.1 5,-0.4 -0.378 9.2 172.3-166.2 74.6 55.8 -83.5 -14.6 149 149 A S H > S+ 0 0 0 44,-2.3 4,-2.1 1,-0.2 5,-0.2 0.831 83.2 50.4 -58.0 -37.3 57.4 -82.8 -18.0 150 150 A D H > S+ 0 0 2 43,-0.7 4,-2.6 2,-0.2 5,-0.2 0.942 115.0 41.2 -68.8 -46.8 57.2 -79.0 -17.4 151 151 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.939 120.2 43.1 -65.6 -48.9 58.7 -79.0 -14.0 152 152 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.887 115.7 51.1 -64.5 -39.0 61.4 -81.6 -14.9 153 153 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.4 -2,-0.2 0.925 110.1 46.1 -65.4 -46.7 62.0 -79.9 -18.2 154 154 A E H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.891 113.9 50.3 -65.0 -37.0 62.5 -76.4 -16.7 155 155 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.900 108.9 51.3 -67.3 -39.2 64.8 -77.8 -14.0 156 156 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.905 110.6 50.1 -63.0 -39.6 66.8 -79.6 -16.7 157 157 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.922 110.2 49.3 -63.8 -44.6 67.1 -76.3 -18.6 158 158 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.917 113.2 47.0 -61.4 -43.8 68.3 -74.5 -15.4 159 159 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.903 113.5 47.8 -65.8 -41.3 70.9 -77.2 -14.7 160 160 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.924 113.2 47.8 -66.1 -43.9 72.1 -77.2 -18.3 161 161 A A H >X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 3,-0.6 0.928 112.1 50.4 -62.4 -43.6 72.3 -73.4 -18.4 162 162 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.859 102.0 61.1 -63.2 -34.9 74.1 -73.5 -15.0 163 163 A S H 3< S+ 0 0 4 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.851 105.6 48.5 -61.7 -31.5 76.6 -76.1 -16.3 164 164 A I H X< S+ 0 0 21 -4,-1.2 3,-1.0 -3,-0.6 4,-0.3 0.920 107.5 54.9 -72.1 -44.2 77.7 -73.5 -18.9 165 165 A V H 3< S+ 0 0 17 -4,-1.8 4,-0.4 1,-0.2 3,-0.3 0.891 117.7 35.2 -55.1 -41.9 78.0 -70.8 -16.3 166 166 A F T 3X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 8,-0.4 0.370 82.5 113.6 -97.1 4.6 80.4 -72.9 -14.2 167 167 A R T <4 S+ 0 0 157 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.821 92.8 19.4 -43.8 -44.3 82.2 -74.6 -17.1 168 168 A N T 4 S+ 0 0 140 -4,-0.3 3,-0.5 -3,-0.3 -1,-0.2 0.848 125.4 48.7 -99.0 -41.6 85.5 -73.0 -16.4 169 169 A V T 4 S+ 0 0 81 -4,-0.4 -2,-0.2 1,-0.3 2,-0.1 0.820 131.8 12.6 -71.1 -32.0 85.4 -71.7 -12.8 170 170 A D X + 0 0 63 -4,-2.3 4,-2.6 1,-0.1 -1,-0.3 -0.568 66.2 170.4-146.9 77.1 84.1 -75.0 -11.4 171 171 A G H > S+ 0 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181 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.922 107.9 48.2 -61.4 -45.6 70.2 -82.1 -16.4 182 182 A R H X S+ 0 0 100 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.908 113.3 47.4 -62.0 -43.6 70.4 -85.0 -18.8 183 183 A Q H X S+ 0 0 57 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.898 111.3 50.1 -66.4 -41.8 68.6 -87.4 -16.5 184 184 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.857 109.3 51.9 -67.3 -33.5 65.8 -84.9 -15.7 185 185 A F H X S+ 0 0 6 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.929 109.6 49.1 -67.0 -43.7 65.3 -84.2 -19.4 186 186 A D H X S+ 0 0 75 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.916 112.2 49.0 -60.1 -42.7 65.0 -88.0 -20.1 187 187 A F H X S+ 0 0 1 -4,-2.3 4,-1.8 -77,-0.2 -2,-0.2 0.950 113.4 46.7 -60.7 -49.2 62.5 -88.2 -17.2 188 188 A A H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 5,-0.2 0.879 119.0 40.2 -61.0 -40.8 60.5 -85.2 -18.6 189 189 A N H < S+ 0 0 36 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.846 117.4 45.9 -79.7 -35.5 60.5 -86.6 -22.1 190 190 A N H < S+ 0 0 100 -4,-2.9 2,-0.5 -5,-0.2 -2,-0.2 0.724 117.4 43.7 -80.0 -24.4 59.9 -90.3 -21.4 191 191 A Y S < S- 0 0 91 -4,-1.8 -43,-0.5 -5,-0.3 -1,-0.2 -0.831 83.0-160.3-126.6 91.2 57.1 -89.7 -18.9 192 192 A R + 0 0 97 -2,-0.5 2,-0.2 -3,-0.2 -3,-0.1 -0.501 33.0 105.5 -77.7 135.7 54.7 -87.0 -20.2 193 193 A G - 0 0 14 -2,-0.2 -44,-2.3 -5,-0.2 -43,-0.7 -0.875 67.2 -85.4 167.1 160.1 52.4 -85.0 -18.0 194 194 A K >> - 0 0 83 -2,-0.2 3,-1.7 -46,-0.2 4,-0.5 -0.736 32.6-142.0 -84.2 128.4 51.6 -81.7 -16.3 195 195 A Y H >> S+ 0 0 1 -2,-0.5 4,-3.4 1,-0.3 3,-1.1 0.823 98.7 60.7 -61.9 -31.2 53.4 -81.4 -13.0 196 196 A S H 34 S+ 0 0 3 1,-0.3 7,-0.3 2,-0.2 -1,-0.3 0.539 96.6 60.2 -75.4 -3.9 50.4 -79.7 -11.3 197 197 A D H <4 S+ 0 0 81 -3,-1.7 3,-0.3 -50,-0.2 -1,-0.3 0.613 116.1 34.9 -90.1 -17.4 48.2 -82.8 -12.1 198 198 A S H << S+ 0 0 17 -3,-1.1 2,-1.5 -4,-0.5 -2,-0.2 0.849 123.0 41.3 -97.8 -56.2 50.7 -84.7 -9.9 199 199 A I S >< S+ 0 0 3 -4,-3.4 3,-1.3 1,-0.2 4,-0.3 -0.715 78.6 179.3 -92.7 82.0 51.6 -82.1 -7.3 200 200 A T G > + 0 0 70 -2,-1.5 3,-1.2 -3,-0.3 4,-0.3 0.722 68.3 70.3 -61.6 -23.9 48.0 -81.0 -7.0 201 201 A D G > S+ 0 0 28 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.873 95.8 56.7 -62.0 -32.4 48.7 -78.3 -4.3 202 202 A A G X> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 3,-2.0 0.649 81.7 87.2 -72.8 -15.7 50.5 -76.3 -7.0 203 203 A R G <4 S+ 0 0 116 -3,-1.2 4,-0.4 -7,-0.3 -1,-0.2 0.775 93.6 42.4 -56.7 -27.7 47.4 -76.3 -9.3 204 204 A N G <4 S+ 0 0 137 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.286 125.1 32.4-104.2 11.7 46.1 -73.2 -7.6 205 205 A F T <4 S+ 0 0 69 -3,-2.0 -2,-0.2 -4,-0.0 -3,-0.1 0.615 137.6 6.4-129.2 -48.0 49.4 -71.3 -7.3 206 206 A Y S < S- 0 0 24 -4,-2.7 -2,-0.1 -10,-0.0 -3,-0.1 -0.484 81.4-171.8-140.9 63.6 51.6 -72.2 -10.3 207 207 A A - 0 0 40 -4,-0.4 -4,-0.1 1,-0.1 2,-0.1 -0.239 28.0-106.5 -62.7 144.0 49.3 -74.3 -12.6 208 208 A S - 0 0 16 1,-0.1 -1,-0.1 -14,-0.0 -14,-0.1 -0.407 33.5-177.0 -67.4 144.2 50.7 -76.1 -15.6 209 209 A A - 0 0 50 45,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.634 68.0 -26.9-104.3 -94.0 49.8 -74.6 -19.0 210 210 A D > - 0 0 57 44,-0.5 3,-1.2 1,-0.1 4,-0.3 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