==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYL HYDROLASE 30-MAY-97 3TF4 . COMPND 2 MOLECULE: T. FUSCA ENDO/EXO-CELLULASE E4 CATALYTIC DOMAIN . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR J.SAKON,D.B.WILSON,P.A.KARPLUS . 1210 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 799 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 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 . 88 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 2 2 0 0 0 1 3 0 2 3 2 1 4 6 0 2 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 . 21 6 5 5 0 0 2 1 2 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 2 0 2 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 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 E 0 0 229 0, 0.0 444,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 139.3 24.6 60.6 21.5 2 2 A P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 444,-0.0 -0.222 360.0-125.5 -65.3 156.5 28.0 59.9 20.0 3 3 A A S S+ 0 0 71 1,-0.2 2,-0.4 353,-0.0 0, 0.0 0.846 98.7 18.3 -71.0 -36.6 28.4 57.9 16.8 4 4 A F S S- 0 0 48 352,-0.0 2,-2.3 364,-0.0 -1,-0.2 -0.982 91.6-106.3-135.2 144.1 30.8 55.5 18.5 5 5 A N >> + 0 0 40 -2,-0.4 4,-1.8 1,-0.2 3,-1.7 -0.444 38.8 179.3 -72.7 79.9 31.4 55.1 22.2 6 6 A Y H 3> S+ 0 0 4 -2,-2.3 4,-2.0 439,-0.3 -1,-0.2 0.687 77.1 60.5 -55.3 -19.2 34.7 56.9 22.4 7 7 A A H 3> S+ 0 0 0 438,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.815 104.3 47.1 -79.4 -30.6 34.8 56.2 26.2 8 8 A E H <> S+ 0 0 34 -3,-1.7 4,-2.1 2,-0.2 5,-0.2 0.887 112.6 50.5 -75.0 -41.0 34.7 52.4 25.7 9 9 A A H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 3,-0.4 0.970 112.0 46.2 -61.3 -50.4 37.4 52.7 23.1 10 10 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.883 111.9 53.3 -59.0 -39.1 39.6 54.8 25.4 11 11 A Q H X S+ 0 0 12 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.841 111.4 44.0 -64.7 -37.6 38.9 52.4 28.2 12 12 A K H X S+ 0 0 14 -4,-2.1 4,-1.3 -3,-0.4 -1,-0.2 0.762 106.2 62.8 -79.3 -23.8 40.0 49.4 26.1 13 13 A S H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.842 100.9 51.5 -68.5 -36.0 43.0 51.4 24.9 14 14 A M H < S+ 0 0 0 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.773 104.6 57.3 -73.0 -23.2 44.4 51.6 28.4 15 15 A F H >X S+ 0 0 4 -4,-0.6 4,-0.9 2,-0.2 3,-0.8 0.863 101.3 58.8 -72.5 -34.1 44.0 47.8 28.8 16 16 A F H >X S+ 0 0 0 -4,-1.3 3,-2.4 1,-0.3 4,-0.6 0.977 102.3 50.7 -55.2 -62.9 46.2 47.5 25.7 17 17 A Y H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.626 108.1 54.8 -52.9 -16.5 49.1 49.3 27.4 18 18 A E H <4 S+ 0 0 1 -3,-0.8 3,-0.3 -4,-0.4 -1,-0.3 0.649 103.5 53.7 -92.6 -18.4 48.7 47.0 30.4 19 19 A A H << S+ 0 0 3 -3,-2.4 -2,-0.2 -4,-0.9 -1,-0.2 0.451 104.3 58.0 -91.4 -3.1 49.0 43.9 28.3 20 20 A Q S < S+ 0 0 2 -4,-0.6 34,-2.5 -5,-0.2 -1,-0.2 0.405 81.0 121.4-104.2 -2.0 52.3 45.3 26.9 21 21 A R B -A 53 0A 0 -3,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.241 44.2-162.6 -62.3 152.2 53.8 45.5 30.3 22 22 A S + 0 0 0 30,-1.5 30,-0.2 2,-0.1 16,-0.1 -0.846 47.0 35.3-131.0 164.9 57.0 43.6 31.1 23 23 A G B S-B 37 0B 1 14,-1.5 14,-0.9 -2,-0.3 2,-0.8 -0.442 109.8 -12.8 87.6-166.6 58.8 42.7 34.3 24 24 A K S S- 0 0 158 12,-0.2 12,-0.1 14,-0.1 -2,-0.1 -0.629 72.9-142.7 -76.8 109.1 57.1 41.6 37.5 25 25 A L - 0 0 17 -2,-0.8 11,-0.1 1,-0.1 -2,-0.0 -0.326 19.4-107.7 -71.9 152.7 53.4 42.5 37.2 26 26 A P > - 0 0 44 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.157 25.1-108.0 -73.1 171.5 51.4 43.8 40.3 27 27 A E T 3 S+ 0 0 200 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.840 117.4 62.4 -68.3 -35.7 48.8 42.0 42.3 28 28 A N T 3 S+ 0 0 104 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.349 74.8 154.9 -74.2 8.3 46.1 44.2 40.8 29 29 A N < - 0 0 43 -3,-1.1 -4,-0.0 1,-0.1 -11,-0.0 -0.046 28.1-167.9 -43.3 122.7 46.9 42.9 37.3 30 30 A R S S+ 0 0 44 1,-0.1 2,-0.9 -15,-0.1 -1,-0.1 0.660 70.0 76.8 -90.1 -18.1 43.8 43.2 35.0 31 31 A V > - 0 0 0 -13,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.844 61.8-170.4 -95.3 104.1 45.1 41.0 32.2 32 32 A S T 3 S+ 0 0 49 -2,-0.9 -1,-0.1 1,-0.2 423,-0.1 0.671 81.0 59.5 -69.4 -18.7 44.7 37.5 33.4 33 33 A W T 3 S+ 0 0 5 456,-0.1 458,-0.4 -3,-0.1 2,-0.3 0.336 90.9 83.5 -94.0 10.0 46.7 36.0 30.5 34 34 A R < + 0 0 7 -3,-1.3 2,-0.2 456,-0.2 -14,-0.0 -0.852 52.8 170.2-113.1 144.7 49.9 37.9 31.3 35 35 A G - 0 0 12 -2,-0.3 2,-0.2 456,-0.0 -12,-0.1 -0.674 45.9 -51.1-136.4-168.9 52.5 36.9 33.8 36 36 A D + 0 0 76 -2,-0.2 2,-0.3 -12,-0.1 -12,-0.2 -0.532 63.3 158.4 -73.1 137.6 56.0 37.8 34.9 37 37 A S B +B 23 0B 6 -14,-0.9 -14,-1.5 -2,-0.2 95,-0.2 -0.947 48.3 36.6-152.7 162.0 58.5 38.1 32.0 38 38 A G > + 0 0 12 93,-0.5 3,-0.9 -2,-0.3 13,-0.2 0.875 64.9 152.4 57.4 43.7 61.8 39.8 31.3 39 39 A L T 3 + 0 0 92 1,-0.2 11,-0.1 -16,-0.1 -1,-0.1 0.545 67.4 48.7 -82.2 -11.6 62.9 39.2 34.9 40 40 A N T > S+ 0 0 134 9,-0.1 3,-1.8 2,-0.1 4,-0.4 0.174 75.9 139.2-112.2 14.9 66.6 39.1 34.1 41 41 A D T < S+ 0 0 6 -3,-0.9 8,-2.2 1,-0.3 9,-0.2 -0.447 74.6 18.5 -63.3 118.7 66.6 42.2 32.0 42 42 A G T >>>S+ 0 0 0 96,-0.5 3,-2.5 -2,-0.3 5,-1.5 0.024 87.0 116.4 108.1 -22.9 69.7 44.1 32.9 43 43 A A G X45 + 0 0 65 -3,-1.8 3,-1.1 1,-0.3 -2,-0.1 0.828 69.2 63.3 -46.7 -39.8 71.6 41.2 34.4 44 44 A D G 345S+ 0 0 94 -4,-0.4 -1,-0.3 94,-0.3 -3,-0.1 0.764 114.5 31.7 -60.9 -23.2 74.3 41.4 31.7 45 45 A V G <45S- 0 0 59 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.280 114.6-107.8-116.3 6.1 75.3 44.9 32.9 46 46 A G T <<5S+ 0 0 69 -3,-1.1 2,-0.2 -4,-0.7 -3,-0.2 0.699 81.7 108.9 76.5 22.8 74.5 44.6 36.6 47 47 A L S -C 117 0C 4 -2,-1.0 4,-1.1 55,-0.2 55,-0.2 -0.735 8.7-159.5 -84.4 119.6 62.8 49.8 22.1 63 63 A G H > S+ 0 0 5 53,-2.8 4,-1.0 -2,-0.6 5,-0.1 0.697 79.2 62.0 -75.0 -23.2 63.4 53.1 23.9 64 64 A F H >> S+ 0 0 0 52,-0.3 4,-2.0 2,-0.2 3,-1.1 0.998 113.1 32.2 -67.3 -63.7 62.9 55.6 21.1 65 65 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.761 115.0 60.7 -66.1 -22.5 59.2 54.9 20.3 66 66 A M H 3X S+ 0 0 3 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.777 106.3 47.3 -72.1 -28.5 58.5 54.0 23.9 67 67 A A H X S+ 0 0 0 -4,-1.6 3,-1.8 2,-0.2 4,-0.8 0.960 109.8 56.4 -73.1 -53.3 50.8 62.6 28.5 75 75 A W H >X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.3 3,-1.1 0.863 107.1 50.7 -44.9 -43.8 50.2 65.4 26.1 76 76 A G H 3X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.3 -1,-0.3 0.765 107.5 52.1 -69.2 -25.3 46.7 64.2 25.5 77 77 A A H << S+ 0 0 7 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.449 110.2 50.0 -86.2 -8.1 46.0 64.1 29.2 78 78 A I H << S+ 0 0 54 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.724 112.5 45.7 -96.4 -35.5 47.2 67.6 29.5 79 79 A E H < S+ 0 0 33 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.849 132.8 16.6 -74.2 -37.3 45.0 68.9 26.7 80 80 A S X + 0 0 0 -4,-1.5 4,-1.1 -5,-0.2 3,-0.2 -0.559 60.7 152.4-140.0 76.2 42.0 67.0 27.9 81 81 A P H > S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.871 80.2 62.6 -68.4 -32.2 42.0 65.8 31.5 82 82 A E H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.853 99.0 55.1 -59.6 -34.0 38.2 66.1 31.5 83 83 A G H > S+ 0 0 0 -3,-0.2 4,-1.4 1,-0.2 6,-0.3 0.911 109.4 45.2 -66.9 -41.8 38.1 63.4 28.8 84 84 A Y H <>S+ 0 0 0 -4,-1.1 6,-1.4 2,-0.2 5,-1.2 0.804 114.3 50.1 -71.8 -28.1 40.1 61.0 30.8 85 85 A I H ><5S+ 0 0 90 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.942 107.8 51.6 -74.6 -48.1 38.0 61.7 33.9 86 86 A R H 3<5S+ 0 0 142 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.827 109.6 49.0 -57.3 -38.9 34.6 61.3 32.2 87 87 A S T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.489 111.7-121.4 -81.0 -1.3 35.5 57.9 30.8 88 88 A G T < 5S+ 0 0 35 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.619 83.7 114.5 69.8 18.5 36.7 56.8 34.3 89 89 A Q >>< + 0 0 6 -5,-1.2 4,-2.6 -6,-0.3 3,-0.6 0.398 37.9 95.4-101.6 1.9 40.1 56.1 32.7 90 90 A M H 3> S+ 0 0 25 -6,-1.4 4,-2.0 1,-0.2 5,-0.2 0.885 84.3 52.7 -61.3 -39.7 42.2 58.8 34.5 91 91 A P H 34 S+ 0 0 81 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.766 112.7 46.8 -68.7 -18.0 43.4 56.4 37.2 92 92 A Y H <> S+ 0 0 78 -3,-0.6 4,-1.9 2,-0.2 3,-0.3 0.905 108.0 52.3 -87.3 -42.7 44.5 54.0 34.5 93 93 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.3 0.912 111.9 48.3 -57.3 -46.6 46.4 56.5 32.3 94 94 A K H X S+ 0 0 39 -4,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.779 109.2 53.8 -64.0 -28.2 48.3 57.6 35.4 95 95 A D H > S+ 0 0 51 -4,-0.5 4,-0.7 -3,-0.3 -1,-0.2 0.783 112.4 44.2 -77.9 -28.1 49.0 53.9 36.2 96 96 A N H X S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.2 5,-0.2 0.903 112.7 48.6 -82.2 -45.4 50.4 53.4 32.7 97 97 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.833 111.8 52.2 -63.6 -31.8 52.5 56.6 32.5 98 98 A R H X S+ 0 0 75 -4,-1.2 4,-1.6 -5,-0.3 -1,-0.2 0.811 106.7 53.6 -72.7 -30.8 53.8 55.7 36.0 99 99 A W H X S+ 0 0 37 -4,-0.7 4,-0.7 -3,-0.2 -47,-0.6 0.900 114.2 39.2 -70.0 -43.9 54.8 52.2 34.7 100 100 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.877 115.3 52.5 -75.2 -36.0 56.8 53.5 31.8 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.849 102.1 59.0 -68.7 -34.1 58.3 56.4 33.7 102 102 A D H X S+ 0 0 72 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.847 107.6 48.8 -61.4 -32.4 59.5 54.1 36.5 103 103 A Y H X S+ 0 0 4 -4,-0.7 4,-2.7 -3,-0.3 -1,-0.2 0.864 103.5 57.3 -75.0 -38.6 61.5 52.3 33.8 104 104 A F H < S+ 0 0 6 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.664 110.0 48.1 -63.5 -20.6 63.0 55.5 32.4 105 105 A I H >< S+ 0 0 43 -4,-0.9 3,-1.7 -3,-0.2 -2,-0.2 0.848 109.5 49.6 -85.1 -45.0 64.3 56.1 35.9 106 106 A K H 3< S+ 0 0 75 -4,-1.8 -2,-0.2 1,-0.3 -58,-0.2 0.905 111.3 52.4 -58.3 -40.1 65.7 52.6 36.3 107 107 A A T 3< S+ 0 0 1 -4,-2.7 8,-2.2 1,-0.2 -1,-0.3 0.251 97.4 68.9 -81.8 9.9 67.4 53.0 32.9 108 108 A H < + 0 0 6 -3,-1.7 -1,-0.2 6,-0.2 6,-0.1 -0.617 53.8 161.8-128.8 71.7 69.1 56.3 33.8 109 109 A P S S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.673 72.8 10.3 -66.8 -21.5 71.7 55.2 36.4 110 110 A S B > S-E 113 0D 49 3,-0.7 3,-1.9 -3,-0.1 0, 0.0 -0.974 90.7 -94.3-154.4 156.8 73.6 58.4 36.0 111 111 A P T 3 S+ 0 0 60 0, 0.0 77,-0.2 0, 0.0 -1,-0.1 0.806 119.3 34.7 -43.9 -48.7 73.0 61.8 34.2 112 112 A N T 3 S+ 0 0 51 76,-0.1 2,-0.4 75,-0.1 73,-0.0 -0.008 103.5 83.4-101.8 30.4 74.7 61.1 30.9 113 113 A V B < +E 110 0D 25 -3,-1.9 -3,-0.7 31,-0.2 2,-0.4 -0.976 49.1 171.5-136.1 120.1 73.9 57.4 30.6 114 114 A L E - D 0 143C 2 29,-2.1 29,-2.2 -2,-0.4 2,-0.6 -0.997 27.0-138.6-131.1 132.3 70.5 56.1 29.2 115 115 A Y E + D 0 142C 25 -8,-2.2 27,-0.3 -2,-0.4 -8,-0.1 -0.821 24.5 174.1 -90.9 119.9 69.6 52.5 28.4 116 116 A V E + 0 0 2 25,-1.0 -53,-2.8 -2,-0.6 -52,-0.3 0.362 56.3 28.4-109.1 2.5 67.6 52.6 25.1 117 117 A Q E -CD 62 141C 1 24,-1.2 24,-2.1 -55,-0.2 2,-0.4 -0.984 43.5-174.0-163.6 147.3 67.1 48.9 24.3 118 118 A V E +CD 61 140C 0 -57,-0.7 -57,-2.1 -2,-0.3 22,-0.2 -0.900 66.5 33.9-144.5 105.8 66.8 45.5 25.9 119 119 A G S S- 0 0 1 20,-3.2 2,-0.5 -2,-0.4 19,-0.1 -0.194 80.6-100.2 124.1 146.8 66.7 42.6 23.5 120 120 A D > - 0 0 54 17,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.892 27.0-141.5 -99.0 131.8 68.2 41.9 20.1 121 121 A G H > S+ 0 0 0 -2,-0.5 4,-1.2 80,-0.4 -1,-0.1 0.836 97.5 41.5 -63.6 -35.4 65.7 42.5 17.3 122 122 A D H > S+ 0 0 106 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.891 114.4 48.6 -80.2 -40.2 66.7 39.5 15.2 123 123 A A H 4 S+ 0 0 35 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.906 114.5 49.5 -64.3 -38.8 67.1 37.0 18.0 124 124 A D H >< S+ 0 0 2 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.829 108.6 49.4 -68.3 -40.0 63.7 38.1 19.3 125 125 A H H 3< S+ 0 0 70 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.579 95.7 72.1 -78.7 -13.5 61.8 37.9 16.0 126 126 A K T 3< S+ 0 0 179 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.2 0.603 93.9 64.4 -77.3 -9.6 63.1 34.4 15.2 127 127 A W < - 0 0 19 -3,-0.8 2,-0.6 -4,-0.2 260,-0.1 -0.941 65.3-160.2-118.8 136.2 60.9 33.0 17.9 128 128 A W + 0 0 17 -2,-0.4 258,-0.4 423,-0.1 259,-0.3 -0.919 47.3 90.7-115.6 106.0 57.1 33.0 18.0 129 129 A G S S- 0 0 0 -2,-0.6 250,-0.2 257,-0.1 422,-0.1 -0.982 74.7 -48.6-179.0 170.6 55.7 32.5 21.5 130 130 A P > - 0 0 1 0, 0.0 3,-1.2 0, 0.0 249,-0.1 -0.156 43.8-128.0 -53.4 145.6 54.5 33.9 24.9 131 131 A A G > S+ 0 0 2 1,-0.2 3,-0.5 2,-0.2 -93,-0.5 0.567 101.5 73.1 -72.9 -9.1 56.7 36.5 26.6 132 132 A E G 3 S+ 0 0 29 1,-0.2 -1,-0.2 -95,-0.2 361,-0.2 0.588 105.4 34.2 -82.7 -8.3 56.6 34.5 29.8 133 133 A V G < S+ 0 0 10 -3,-1.2 -1,-0.2 417,-0.1 -2,-0.2 0.108 73.9 159.3-132.8 22.0 58.9 31.8 28.4 134 134 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A S H 3X S+ 0 0 5 -4,-1.1 4,-1.5 -3,-0.4 -1,-0.2 0.786 96.0 59.3 -65.6 -25.0 55.4 65.5 35.6 165 165 A I H 3< S+ 0 0 50 -4,-0.9 4,-0.3 -3,-0.2 -1,-0.3 0.813 105.4 49.3 -72.3 -27.1 52.6 67.8 34.6 166 166 A V H <4 S+ 0 0 17 -3,-1.0 4,-0.4 -4,-0.4 3,-0.3 0.881 118.9 36.3 -78.9 -39.2 50.1 65.0 35.0 167 167 A F H X S+ 0 0 2 -4,-1.8 4,-3.0 1,-0.2 8,-0.3 0.600 87.4 105.0 -90.0 -11.7 51.4 63.9 38.4 168 168 A A T < S+ 0 0 40 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.772 91.0 29.0 -34.5 -51.2 52.1 67.4 39.7 169 169 A D T 4 S+ 0 0 147 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.824 124.6 46.4 -86.0 -35.7 49.1 67.6 42.0 170 170 A D T 4 S+ 0 0 106 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.938 133.0 8.8 -72.5 -52.6 48.8 63.9 42.9 171 171 A D X + 0 0 50 -4,-3.0 4,-2.6 -7,-0.1 3,-0.5 -0.620 66.0 173.3-133.4 77.6 52.4 63.1 43.6 172 172 A P H > S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.778 81.5 55.0 -58.3 -28.3 54.4 66.3 43.7 173 173 A A H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.926 110.1 44.3 -71.4 -43.1 57.5 64.4 44.9 174 174 A Y 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1,-0.2 4,-2.1 -3,-0.2 3,-0.3 0.822 107.4 51.7 -76.6 -30.7 63.3 67.8 15.9 215 215 A E H <> S+ 0 0 0 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.605 102.2 61.6 -82.9 -10.7 63.8 66.2 19.4 216 216 A L H X S+ 0 0 0 -4,-1.1 4,-0.7 -3,-0.2 -1,-0.2 0.741 111.8 36.8 -83.7 -29.2 65.8 69.2 20.6 217 217 A V H X S+ 0 0 0 -4,-0.6 4,-2.7 -3,-0.3 5,-0.2 0.860 119.6 49.6 -84.2 -47.9 62.9 71.6 20.0 218 218 A W H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.902 113.2 46.8 -57.9 -44.7 60.4 69.0 21.1 219 219 A G H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.846 112.7 48.8 -68.1 -36.5 62.4 68.3 24.3 220 220 A A H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 3,-0.5 0.938 105.5 55.8 -69.3 -49.4 62.9 71.9 25.2 221 221 A Y H X S+ 0 0 7 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.870 109.9 48.4 -52.2 -39.7 59.2 72.9 24.7 222 222 A W H X S+ 0 0 4 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.3 0.815 108.9 49.6 -74.5 -30.5 58.3 70.2 27.2 223 223 A L H X>S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.5 5,-0.7 0.843 108.0 58.0 -73.8 -30.6 60.9 71.2 29.9 224 224 A Y H X5S+ 0 0 33 -4,-2.5 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