==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-SEP-10 2XQO . COMPND 2 MOLECULE: CELLULOSOME ENZYME, DOCKERIN TYPE I; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR A.L.CARVALHO,G.VERZE,J.L.A.BRAS,A.CARTMELL,E.A.BAYER,Y.VAZAN . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 1 0 0 1 0 1 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 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 34 A D 0 0 62 0, 0.0 123,-0.2 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0 -28.8 -6.2 13.2 3.1 2 35 A G - 0 0 40 118,-0.2 113,-0.1 1,-0.1 117,-0.0 -0.392 360.0-168.3 -65.8 139.3 -4.1 12.0 6.1 3 36 A Y + 0 0 103 2,-0.1 -1,-0.1 -2,-0.1 115,-0.0 0.921 67.7 44.6 -93.7 -50.4 -0.5 13.2 6.0 4 37 A F S S- 0 0 14 1,-0.2 3,-0.1 4,-0.1 4,-0.0 -0.432 105.6 -76.3 -94.7 163.1 1.3 11.2 8.7 5 38 A P > - 0 0 69 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.310 50.7-109.3 -61.5 141.5 0.8 7.4 9.3 6 39 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.422 108.3 41.1 -62.2 146.5 -2.5 6.5 11.0 7 40 A G T 3 S+ 0 0 81 1,-0.4 2,-0.1 -3,-0.1 107,-0.0 0.182 79.0 140.9 95.3 -16.7 -1.6 5.4 14.6 8 41 A T < - 0 0 24 -3,-2.0 -1,-0.4 1,-0.1 -4,-0.1 -0.404 57.8-110.4 -59.3 134.3 1.0 8.1 15.0 9 42 A S > - 0 0 57 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.185 18.6-113.6 -65.6 158.4 0.7 9.4 18.6 10 43 A K H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.929 117.4 54.4 -50.5 -52.1 -0.6 12.9 19.4 11 44 A H H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 112.9 41.7 -53.5 -43.0 2.9 13.9 20.6 12 45 A E H > S+ 0 0 84 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.852 109.4 57.3 -79.4 -37.9 4.5 12.9 17.4 13 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.946 113.5 42.4 -53.5 -44.3 1.7 14.4 15.2 14 47 A I H X S+ 0 0 40 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.940 115.9 46.3 -68.4 -47.6 2.5 17.7 16.9 15 48 A A H X S+ 0 0 36 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.918 113.8 48.7 -66.5 -40.5 6.2 17.5 16.8 16 49 A R H X S+ 0 0 100 -4,-3.1 4,-0.5 1,-0.2 3,-0.3 0.869 110.9 50.5 -68.8 -35.7 6.3 16.3 13.2 17 50 A A H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.3 51,-0.4 0.904 106.8 54.1 -61.0 -40.5 3.9 19.2 12.2 18 51 A S H 3< S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.761 111.2 49.8 -69.9 -25.1 6.3 21.9 14.1 19 52 A S H 3< S+ 0 0 87 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.426 82.3 116.4 -97.7 1.0 9.2 20.5 11.9 20 53 A L << - 0 0 24 -3,-1.1 48,-0.3 -4,-0.5 49,-0.1 -0.409 69.2-120.6 -62.5 134.4 7.4 20.7 8.5 21 54 A K > - 0 0 117 1,-0.1 4,-2.3 -2,-0.1 3,-0.4 -0.392 19.9-114.3 -67.4 153.6 9.1 23.2 6.2 22 55 A V H > S+ 0 0 22 1,-0.3 4,-2.7 168,-0.2 5,-0.2 0.904 119.3 56.1 -56.6 -44.0 7.1 26.1 4.9 23 56 A S H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.886 106.2 49.7 -56.9 -35.8 7.4 24.6 1.4 24 57 A E H > S+ 0 0 65 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.888 108.5 51.6 -72.6 -39.2 5.9 21.3 2.6 25 58 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 109.6 51.0 -60.7 -44.2 3.0 23.1 4.3 26 59 A K H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.899 108.9 51.8 -55.5 -46.0 2.3 24.9 0.9 27 60 A A H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.910 108.0 51.1 -60.4 -39.7 2.4 21.6 -0.9 28 61 A I H X S+ 0 0 13 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.927 112.4 47.2 -62.3 -45.9 -0.2 20.1 1.6 29 62 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.928 110.1 50.9 -59.6 -47.3 -2.5 23.1 1.0 30 63 A K H X S+ 0 0 46 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.891 106.4 55.6 -62.6 -37.2 -2.1 23.0 -2.8 31 64 A K H X S+ 0 0 104 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.936 109.7 45.9 -65.7 -35.9 -3.0 19.2 -2.9 32 65 A Q H X S+ 0 0 5 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.904 112.6 50.1 -70.3 -40.4 -6.3 19.9 -1.0 33 66 A V H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 4,-0.4 0.944 112.0 48.7 -61.6 -40.1 -7.1 22.8 -3.3 34 67 A D H >< S+ 0 0 69 -4,-3.0 3,-0.8 1,-0.3 4,-0.2 0.916 112.2 48.6 -64.4 -44.5 -6.4 20.6 -6.3 35 68 A E H 3< S+ 0 0 97 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.733 124.1 30.3 -62.7 -29.8 -8.6 17.9 -4.9 36 69 A H T 3X S+ 0 0 28 -4,-1.5 4,-2.4 -3,-0.4 3,-0.3 0.039 78.5 124.9-125.5 20.4 -11.5 20.3 -4.1 37 70 A W H <> + 0 0 32 -3,-0.8 4,-3.1 -4,-0.4 5,-0.3 0.879 70.0 55.4 -50.7 -46.4 -11.2 22.9 -6.8 38 71 A D H > S+ 0 0 103 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.949 111.6 41.6 -60.8 -41.0 -14.7 22.6 -8.1 39 72 A V H > S+ 0 0 6 -3,-0.3 4,-2.7 2,-0.2 5,-0.4 0.925 114.9 52.7 -72.3 -35.3 -16.5 23.2 -4.8 40 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.950 113.9 42.1 -61.3 -46.6 -14.0 26.0 -4.0 41 74 A R H X S+ 0 0 114 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.907 113.2 53.1 -65.5 -41.9 -14.6 27.7 -7.3 42 75 A D H < S+ 0 0 100 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.950 118.9 35.7 -62.2 -36.9 -18.5 27.1 -7.2 43 76 A V H < S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.956 131.9 24.5 -78.8 -50.0 -18.7 28.7 -3.7 44 77 A C H < S- 0 0 2 -4,-2.7 103,-0.3 -5,-0.4 -3,-0.2 0.752 85.3-137.3 -95.6 -25.1 -16.1 31.4 -3.9 45 78 A G < + 0 0 42 -4,-2.2 -4,-0.2 -5,-0.4 -3,-0.1 0.710 33.3 177.6 73.4 18.8 -15.7 32.3 -7.6 46 79 A F - 0 0 3 -6,-0.3 164,-0.2 1,-0.1 -1,-0.2 -0.321 37.0-120.6 -53.9 143.2 -12.0 32.5 -7.5 47 80 A K S S- 0 0 123 162,-2.8 2,-0.3 161,-0.1 163,-0.1 0.831 79.0 -28.4 -56.0 -41.6 -10.4 33.3 -10.9 48 81 A N S > S- 0 0 57 161,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.946 71.0 -82.2-166.3 178.5 -8.3 30.1 -11.0 49 82 A K H > S+ 0 0 72 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.829 118.4 59.8 -70.2 -35.2 -6.5 27.6 -9.0 50 83 A E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 107.6 44.6 -62.5 -49.7 -3.4 29.7 -8.5 51 84 A V H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.794 111.4 54.2 -67.0 -27.2 -5.2 32.5 -6.8 52 85 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.931 107.4 50.3 -71.4 -43.2 -7.1 30.0 -4.7 53 86 A Y H X S+ 0 0 17 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.948 111.3 49.7 -50.7 -50.8 -3.8 28.5 -3.6 54 87 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.883 107.1 54.4 -60.5 -38.8 -2.7 32.1 -2.7 55 88 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.934 110.8 45.3 -61.5 -48.0 -5.9 32.7 -0.7 56 89 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.795 109.8 53.9 -64.3 -33.5 -5.3 29.6 1.5 57 90 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.857 106.6 54.1 -67.0 -34.3 -1.6 30.6 1.9 58 91 A G H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.913 109.4 48.0 -58.3 -43.4 -3.0 34.0 3.1 59 92 A X H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.910 110.0 50.1 -64.1 -47.8 -5.1 32.0 5.6 60 93 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 6,-1.8 0.877 113.6 48.3 -57.7 -40.4 -2.1 29.9 6.8 61 94 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 4,-0.3 134,-0.4 0.940 114.7 42.6 -61.6 -51.6 -0.2 33.1 7.2 62 95 A R H < S+ 0 0 40 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.817 122.5 39.4 -64.9 -36.5 -2.9 35.0 9.2 63 96 A E H < S- 0 0 33 -4,-2.5 -1,-0.2 19,-0.3 -2,-0.2 0.784 139.9 -1.7 -84.0 -36.9 -3.8 32.0 11.4 64 97 A S H >< S- 0 0 3 -4,-2.2 3,-2.6 -5,-0.3 -3,-0.2 0.397 82.4-117.5-138.4 5.7 -0.4 30.4 12.1 65 98 A T T 3< S- 0 0 27 -4,-1.7 -4,-0.3 -5,-0.5 3,-0.1 0.871 81.7 -63.0 46.7 39.6 2.4 32.3 10.3 66 99 A F T 3 S+ 0 0 6 -6,-1.8 2,-1.0 16,-0.3 -1,-0.3 0.490 102.2 139.4 59.3 19.1 2.8 28.9 8.5 67 100 A R X - 0 0 152 -3,-2.6 3,-1.9 -7,-0.2 -1,-0.2 -0.717 39.2-162.1 -89.1 97.2 3.8 27.2 11.9 68 101 A A T 3 S+ 0 0 4 -2,-1.0 -50,-0.2 -51,-0.4 -1,-0.2 0.613 80.7 57.4 -62.5 -15.8 1.8 24.0 11.3 69 102 A A T 3 S+ 0 0 21 -52,-0.2 -1,-0.3 12,-0.1 -51,-0.1 0.316 72.9 136.4 -98.0 10.6 1.8 22.9 15.0 70 103 A T < - 0 0 35 -3,-1.9 11,-1.6 -6,-0.1 2,-0.4 -0.297 31.1-175.7 -62.7 134.4 0.2 26.1 16.3 71 104 A E E +A 80 0A 74 9,-0.2 2,-0.3 13,-0.1 9,-0.2 -0.998 11.3 155.4-137.4 127.6 -2.6 25.2 18.9 72 105 A T E +A 79 0A 69 7,-2.1 7,-3.1 -2,-0.4 -2,-0.0 -0.931 27.7 24.5-144.4 169.3 -4.9 27.8 20.4 73 106 A G - 0 0 53 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 0.011 63.0 -95.5 76.3-173.2 -8.3 28.4 22.1 74 107 A S S > S- 0 0 93 4,-0.1 3,-2.2 0, 0.0 2,-0.1 -0.991 70.4 -23.5-149.4 145.6 -10.8 26.4 24.0 75 108 A G G > S+ 0 0 37 -2,-0.3 3,-1.6 1,-0.3 12,-0.5 -0.292 135.6 7.3 53.0-123.2 -14.0 24.4 23.2 76 109 A A G 3 S+ 0 0 48 1,-0.3 12,-0.8 11,-0.1 -1,-0.3 0.773 139.9 44.9 -63.5 -22.5 -15.6 25.8 20.1 77 110 A S G < S+ 0 0 85 -3,-2.2 2,-0.4 9,-0.1 -1,-0.3 0.442 81.7 122.7 -98.7 -0.9 -12.4 28.1 19.3 78 111 A H < + 0 0 30 -3,-1.6 9,-1.9 -5,-0.2 2,-0.3 -0.447 44.4 171.2 -70.7 121.5 -9.9 25.2 20.2 79 112 A A E -AB 72 86A 5 -7,-3.1 -7,-2.1 -2,-0.4 2,-0.3 -0.938 21.5-172.2-135.7 150.9 -8.0 25.0 16.9 80 113 A F E > +AB 71 85A 0 5,-1.6 5,-2.3 -2,-0.3 3,-0.3 -0.943 40.0 29.1-137.1 160.9 -4.9 23.3 15.4 81 114 A G T > 5S- 0 0 0 -11,-1.6 3,-1.0 -2,-0.3 -12,-0.1 -0.151 95.7 -46.5 93.4 176.7 -2.8 23.4 12.3 82 115 A P T 3 5S+ 0 0 0 0, 0.0 -16,-0.3 0, 0.0 -18,-0.3 0.817 138.9 36.8 -57.5 -33.4 -1.7 25.8 9.5 83 116 A L T 3 5S- 0 0 0 -3,-0.3 -2,-0.2 -15,-0.1 -15,-0.0 0.447 109.6-119.5-101.1 0.1 -5.2 27.1 9.1 84 117 A Q T < 5 - 0 0 11 -3,-1.0 2,-0.6 1,-0.2 -3,-0.2 0.980 34.8-160.5 56.8 61.2 -6.3 26.9 12.7 85 118 A T E < -B 80 0A 0 -5,-2.3 -5,-1.6 31,-0.1 -1,-0.2 -0.602 9.8-140.6 -75.6 117.7 -9.1 24.5 12.1 86 119 A A E > -B 79 0A 10 -2,-0.6 3,-1.9 -7,-0.2 4,-0.3 -0.279 21.5-109.4 -79.9 158.4 -11.5 24.7 15.1 87 120 A E G > S+ 0 0 26 -9,-1.9 3,-2.0 -12,-0.5 -11,-0.1 0.834 113.0 73.1 -51.3 -30.7 -13.2 21.7 16.7 88 121 A T G 3 S+ 0 0 25 -12,-0.8 -1,-0.3 1,-0.3 5,-0.1 0.647 84.8 68.5 -68.6 -12.8 -16.6 22.9 15.2 89 122 A A G < S+ 0 0 1 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.837 89.7 82.3 -65.4 -29.5 -15.3 21.7 11.8 90 123 A Y S X S- 0 0 7 -3,-2.0 3,-0.8 -4,-0.3 4,-0.2 -0.485 81.5-115.6 -92.1 146.3 -15.5 18.1 12.9 91 124 A A B 3 S+c 110 0B 15 18,-2.0 20,-2.5 1,-0.2 -1,-0.1 -0.472 97.0 8.3 -69.9 140.4 -18.5 15.7 13.0 92 125 A N T 3 S+ 0 0 141 18,-0.2 -1,-0.2 -2,-0.1 18,-0.0 0.820 87.6 130.8 65.2 34.1 -19.5 14.4 16.5 93 126 A A S < S- 0 0 20 -3,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.892 78.5 -22.5 -91.7 -47.8 -17.2 16.8 18.3 94 127 A N > - 0 0 63 -4,-0.2 3,-2.1 3,-0.1 -1,-0.3 -0.877 54.6-127.2-158.6 143.5 -19.6 18.3 20.8 95 128 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.696 106.5 60.7 -72.0 -12.6 -23.4 18.5 20.8 96 129 A N T 3 S+ 0 0 142 2,-0.1 2,-0.4 -3,-0.0 -20,-0.0 0.417 81.2 104.0 -90.7 3.4 -23.4 22.2 21.4 97 130 A Y S < S- 0 0 41 -3,-2.1 -3,-0.1 1,-0.1 -5,-0.1 -0.683 81.2-112.1 -86.3 137.8 -21.5 22.9 18.2 98 131 A X - 0 0 121 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.405 43.4-105.5 -66.2 135.7 -23.6 24.3 15.3 99 132 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.219 22.3-158.5 -71.0 153.7 -23.8 21.7 12.5 100 133 A E + 0 0 6 1,-0.1 3,-0.3 -11,-0.1 32,-0.1 -0.595 41.0 136.7-129.5 68.9 -21.9 22.0 9.2 101 134 A H + 0 0 148 -2,-0.2 -1,-0.1 1,-0.2 7,-0.0 -0.001 47.0 90.0-106.2 30.7 -23.9 19.8 6.9 102 135 A N S S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.032 70.2 70.3-112.8 22.7 -23.8 22.1 4.0 103 136 A V > + 0 0 0 -3,-0.3 3,-2.0 3,-0.1 -1,-0.2 -0.508 48.0 158.0-133.0 62.7 -20.5 20.9 2.2 104 137 A P T 3 + 0 0 111 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.781 66.2 72.4 -62.2 -15.9 -21.5 17.6 0.9 105 138 A E T 3 S+ 0 0 88 1,-0.1 2,-0.4 -3,-0.1 -66,-0.1 0.628 98.5 50.8 -71.0 -14.6 -18.6 17.8 -1.6 106 139 A X S < S- 0 0 4 -3,-2.0 -3,-0.1 22,-0.1 -1,-0.1 -0.991 91.8-112.1-129.8 134.7 -16.0 17.2 1.1 107 140 A H - 0 0 113 -2,-0.4 2,-1.0 1,-0.1 21,-0.1 -0.318 23.8-137.9 -62.2 133.5 -16.0 14.5 3.7 108 141 A Q - 0 0 29 -4,-0.1 -1,-0.1 -18,-0.1 -18,-0.1 -0.801 23.4-143.6 -91.8 96.9 -16.6 15.7 7.3 109 142 A Y - 0 0 44 -2,-1.0 -18,-2.0 12,-0.1 2,-0.1 -0.309 17.8-109.2 -58.6 143.0 -14.1 13.8 9.4 110 143 A D B -c 91 0B 79 -20,-0.2 2,-0.9 1,-0.1 -18,-0.2 -0.369 38.9 -96.3 -69.5 153.2 -15.1 12.7 12.9 111 144 A F + 0 0 68 -20,-2.5 2,-0.3 4,-0.1 -1,-0.1 -0.616 68.2 140.2 -72.3 107.4 -13.5 14.4 15.8 112 145 A T > - 0 0 63 -2,-0.9 4,-2.5 1,-0.1 5,-0.3 -0.907 66.0-103.5-142.5 156.2 -10.6 12.1 16.9 113 146 A E H > S+ 0 0 111 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.935 122.0 44.3 -46.2 -50.6 -7.1 12.7 18.0 114 147 A Y H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 7,-0.2 0.931 113.0 49.9 -65.5 -48.3 -5.6 11.8 14.6 115 148 A N H 4 S+ 0 0 23 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.863 116.6 42.2 -66.5 -28.1 -8.2 13.8 12.6 116 149 A F H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.840 124.5 33.0 -79.3 -42.0 -7.7 16.9 14.7 117 150 A Y H < S+ 0 0 18 -4,-2.3 2,-0.4 -5,-0.3 -2,-0.2 0.613 89.1 100.6-100.6 -16.2 -3.8 16.8 15.0 118 151 A D X - 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