==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-OCT-11 3UCQ . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS GEOTHERMALIS; . AUTHOR F.GUERIN,S.PIZZUT-SERIN,V.GUILLET,L.MOUREY,G.POTOCKI-VERONES . 651 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 3 2 2 4 1 1 0 0 2 2 0 2 0 2 0 0 1 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 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 . 2 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 1 0 0 1 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 -4 A G > 0 0 82 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-163.6 6.4 19.6 -63.2 2 -3 A P H > + 0 0 120 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.861 360.0 47.9 -53.8 -46.6 5.6 15.9 -63.9 3 -2 A L H > S+ 0 0 152 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.934 116.4 42.8 -61.5 -50.2 9.3 14.8 -63.9 4 -1 A G H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 116.2 49.7 -57.2 -46.2 10.1 16.7 -60.6 5 0 A S H X S+ 0 0 66 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.836 107.0 54.1 -63.7 -41.6 6.8 15.5 -59.0 6 1 A M H X S+ 0 0 107 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.898 108.4 48.6 -62.2 -43.9 7.3 11.9 -59.9 7 2 A L H X S+ 0 0 125 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.885 110.5 51.6 -60.7 -41.9 10.8 11.8 -58.2 8 3 A K H X S+ 0 0 72 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.931 108.9 50.6 -62.1 -49.1 9.3 13.4 -55.1 9 4 A D H X S+ 0 0 92 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.889 109.1 51.0 -51.8 -47.9 6.5 10.8 -54.9 10 5 A V H X S+ 0 0 57 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.908 112.3 47.4 -64.8 -37.0 9.0 8.0 -55.2 11 6 A L H X S+ 0 0 16 -4,-2.0 4,-2.7 2,-0.2 3,-0.4 0.974 111.4 49.7 -66.0 -51.3 11.0 9.5 -52.4 12 7 A T H X S+ 0 0 86 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.919 113.5 46.4 -52.3 -46.1 8.0 10.0 -50.1 13 8 A S H X S+ 0 0 74 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.778 110.4 52.9 -74.1 -24.2 6.9 6.5 -50.7 14 9 A E H X S+ 0 0 99 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.890 109.9 48.1 -72.8 -38.9 10.4 5.1 -50.0 15 10 A L H X S+ 0 0 15 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.952 111.5 51.7 -61.8 -45.0 10.5 7.0 -46.7 16 11 A A H X S+ 0 0 32 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.888 109.4 49.6 -59.7 -42.1 7.1 5.6 -45.9 17 12 A A H X S+ 0 0 48 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.911 107.6 52.3 -65.8 -44.2 8.2 2.0 -46.6 18 13 A Q H X S+ 0 0 52 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.899 112.3 47.3 -59.2 -42.4 11.4 2.3 -44.5 19 14 A V H >X S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 3,-0.5 0.946 114.2 45.2 -63.9 -48.9 9.2 3.4 -41.5 20 15 A R H >< S+ 0 0 119 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.878 111.7 53.4 -63.5 -38.8 6.6 0.7 -41.9 21 16 A D H 3< S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.774 103.4 59.9 -59.3 -32.2 9.3 -2.0 -42.4 22 17 A A H << S+ 0 0 32 -4,-1.1 2,-0.4 -3,-0.5 -1,-0.2 0.585 98.1 63.2 -82.9 -11.1 10.9 -0.8 -39.1 23 18 A F << - 0 0 12 -3,-0.8 -1,-0.1 -4,-0.5 6,-0.0 -0.950 45.2-174.9-122.3 129.1 7.9 -1.5 -36.7 24 19 A D S S+ 0 0 164 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 0.832 82.7 69.6 -80.4 -35.7 6.1 -4.8 -35.9 25 20 A D S >> S- 0 0 93 1,-0.1 4,-1.7 2,-0.0 3,-0.6 -0.746 76.1-153.7 -81.5 116.6 3.5 -2.8 -33.9 26 21 A D H 3> S+ 0 0 113 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.852 90.8 60.0 -65.5 -31.9 1.4 -0.9 -36.4 27 22 A R H 3> S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 105.7 50.4 -59.7 -40.3 0.4 1.9 -33.9 28 23 A D H <> S+ 0 0 37 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.940 111.2 47.9 -61.8 -45.7 4.1 2.7 -33.6 29 24 A A H X S+ 0 0 1 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.917 113.0 48.0 -62.0 -42.0 4.5 2.8 -37.3 30 25 A E H X S+ 0 0 81 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.854 112.1 49.0 -71.0 -40.7 1.5 5.0 -37.7 31 26 A T H X S+ 0 0 45 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.949 112.3 48.0 -58.3 -51.8 2.7 7.4 -34.9 32 27 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.939 113.2 49.2 -56.6 -46.5 6.2 7.7 -36.4 33 28 A L H X S+ 0 0 15 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.861 108.4 52.1 -61.5 -39.7 4.6 8.3 -39.8 34 29 A L H X S+ 0 0 105 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.867 111.9 47.5 -65.3 -41.7 2.2 11.1 -38.5 35 30 A R H X S+ 0 0 38 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.917 109.7 51.7 -65.3 -43.2 5.2 12.8 -36.9 36 31 A L H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.893 111.3 49.7 -60.9 -34.9 7.2 12.5 -40.1 37 32 A E H < S+ 0 0 150 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.867 112.9 46.1 -69.4 -38.8 4.2 14.1 -41.9 38 33 A R H < S+ 0 0 162 -4,-2.0 4,-0.2 1,-0.1 -2,-0.2 0.920 131.7 19.0 -65.6 -44.7 4.0 16.9 -39.4 39 34 A Y H X S+ 0 0 27 -4,-2.8 4,-2.7 1,-0.1 -2,-0.2 0.479 98.4 92.7-106.2 -7.7 7.8 17.7 -39.4 40 35 A G H X S+ 0 0 5 -4,-2.4 4,-3.2 -5,-0.3 5,-0.3 0.878 85.4 49.9 -66.0 -39.1 9.1 16.1 -42.7 41 36 A E H > S+ 0 0 112 -4,-0.3 4,-2.3 -5,-0.2 5,-0.4 0.927 113.9 46.4 -68.1 -43.8 8.7 19.1 -44.9 42 37 A D H > S+ 0 0 16 -4,-0.2 4,-2.9 3,-0.2 5,-0.3 0.987 115.8 46.9 -52.6 -64.1 10.6 21.3 -42.4 43 38 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.880 119.8 36.1 -40.5 -62.1 13.3 18.6 -42.0 44 39 A W H X S+ 0 0 26 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.874 117.8 48.4 -74.8 -40.8 13.9 17.9 -45.7 45 40 A E H X S+ 0 0 100 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.894 112.7 50.5 -65.1 -38.2 13.5 21.4 -47.1 46 41 A S H X S+ 0 0 1 -4,-2.9 4,-1.0 -5,-0.4 -2,-0.2 0.939 110.9 49.3 -62.9 -45.6 15.8 22.6 -44.4 47 42 A L H >X S+ 0 0 0 -4,-2.3 4,-3.5 -5,-0.3 3,-0.6 0.905 111.0 48.1 -58.9 -42.1 18.3 20.0 -45.3 48 43 A R H 3X S+ 0 0 84 -4,-2.2 4,-1.3 1,-0.3 -1,-0.2 0.748 106.0 60.2 -75.2 -20.9 18.2 20.8 -49.1 49 44 A A H 3< S+ 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.787 118.3 28.4 -68.6 -30.9 18.6 24.5 -48.3 50 45 A V H << S+ 0 0 20 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.843 136.4 25.6 -97.2 -44.9 21.9 23.8 -46.6 51 46 A Y H >< S- 0 0 15 -4,-3.5 3,-1.2 1,-0.2 -3,-0.2 0.455 83.2-157.5-107.1 -4.1 23.2 20.7 -48.5 52 47 A G G >< S- 0 0 30 -4,-1.3 3,-1.5 -5,-0.3 -1,-0.2 -0.279 71.5 -12.1 61.0-139.6 21.5 20.8 -51.9 53 48 A D G > S+ 0 0 144 1,-0.3 3,-2.5 2,-0.2 4,-0.4 0.671 120.5 80.1 -74.8 -16.4 21.2 17.4 -53.7 54 49 A Q G X S+ 0 0 116 -3,-1.2 3,-1.2 1,-0.3 -1,-0.3 0.799 83.4 69.1 -51.0 -30.5 23.6 15.6 -51.3 55 50 A V G X S+ 0 0 0 -3,-1.5 3,-2.3 1,-0.2 -1,-0.3 0.743 80.3 73.5 -61.1 -22.9 20.6 15.5 -49.1 56 51 A R G < S+ 0 0 110 -3,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.796 98.3 47.0 -71.0 -26.1 19.0 13.0 -51.5 57 52 A A G <> S+ 0 0 80 -3,-1.2 4,-0.5 -4,-0.4 -1,-0.3 0.424 103.5 72.6 -84.2 -0.4 21.3 10.3 -50.2 58 53 A L H <> S+ 0 0 2 -3,-2.3 4,-2.8 2,-0.2 5,-0.2 0.846 72.5 70.4 -92.9 -37.3 20.6 11.4 -46.6 59 54 A P H > S+ 0 0 2 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.908 98.3 55.4 -54.5 -44.3 17.0 10.3 -45.6 60 55 A G H > S+ 0 0 33 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.925 114.0 37.1 -46.6 -64.1 18.0 6.7 -45.5 61 56 A R H X S+ 0 0 128 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.828 118.5 50.5 -56.9 -39.5 20.9 7.2 -43.0 62 57 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 3,-0.2 0.943 109.6 50.3 -70.8 -46.2 18.9 9.9 -41.0 63 58 A L H X S+ 0 0 0 -4,-3.6 4,-3.5 -5,-0.2 5,-0.3 0.829 105.2 58.1 -60.4 -38.8 15.8 7.6 -40.7 64 59 A E H X S+ 0 0 121 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.922 108.2 44.8 -50.7 -53.5 18.0 4.8 -39.4 65 60 A V H X S+ 0 0 28 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.914 118.9 44.3 -57.0 -45.8 19.3 7.0 -36.5 66 61 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.902 111.7 50.4 -70.5 -46.6 15.7 8.2 -35.7 67 62 A L H X S+ 0 0 7 -4,-3.5 4,-2.6 2,-0.2 5,-0.2 0.935 113.8 45.1 -55.8 -49.3 14.0 4.8 -36.0 68 63 A H H X S+ 0 0 107 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.938 112.8 50.8 -61.8 -46.0 16.5 3.1 -33.7 69 64 A A H X S+ 0 0 5 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.889 110.1 51.6 -58.2 -37.7 16.3 6.1 -31.2 70 65 A Y H >< S+ 0 0 10 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.951 111.2 45.8 -66.2 -47.9 12.5 5.7 -31.3 71 66 A H H 3< S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 114.9 50.0 -57.5 -36.6 12.7 1.9 -30.6 72 67 A A H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.594 82.1 111.8 -81.9 -7.9 15.2 2.7 -27.8 73 68 A R S << S- 0 0 8 -3,-0.9 5,-0.1 -4,-0.8 207,-0.1 -0.523 74.4-116.2 -74.2 120.8 13.1 5.5 -26.1 74 69 A P >> - 0 0 41 0, 0.0 4,-2.0 0, 0.0 3,-1.5 -0.222 18.5-119.6 -52.7 140.7 11.9 4.3 -22.6 75 70 A A H 3> S+ 0 0 58 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.872 114.8 60.3 -51.8 -37.1 8.2 3.9 -22.2 76 71 A E H 3> S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.842 107.2 44.0 -63.9 -30.3 8.4 6.6 -19.4 77 72 A L H <> S+ 0 0 3 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.789 108.2 56.3 -83.3 -29.6 9.8 9.1 -21.9 78 73 A R H X S+ 0 0 62 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.878 108.4 50.9 -63.5 -34.8 7.3 8.3 -24.6 79 74 A R H X S+ 0 0 149 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.943 107.4 51.5 -67.6 -45.3 4.8 9.1 -21.8 80 75 A L H X S+ 0 0 22 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.896 106.7 55.0 -49.6 -48.4 6.6 12.4 -21.3 81 76 A D H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 110.0 45.9 -50.2 -50.0 6.3 13.1 -25.1 82 77 A E H X S+ 0 0 118 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 110.2 54.0 -63.1 -42.3 2.5 12.6 -24.9 83 78 A A H X S+ 0 0 45 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.878 110.0 46.7 -60.0 -39.8 2.3 14.8 -21.8 84 79 A R H < S+ 0 0 41 -4,-2.3 3,-0.4 2,-0.2 6,-0.3 0.874 108.9 54.0 -72.5 -37.3 4.2 17.6 -23.6 85 80 A L H < S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 109.7 50.3 -60.9 -35.5 1.9 17.3 -26.7 86 81 A L H < S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.684 119.2 36.3 -74.5 -22.6 -1.0 17.7 -24.4 87 82 A R >< + 0 0 129 -4,-0.8 3,-1.5 -3,-0.4 -1,-0.3 -0.621 67.4 164.1-128.0 70.2 0.4 20.8 -22.7 88 83 A P T 3 S+ 0 0 110 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.784 75.3 55.9 -66.6 -19.7 2.2 22.7 -25.6 89 84 A D T >> S+ 0 0 55 1,-0.2 3,-1.9 2,-0.1 4,-0.6 0.171 71.0 123.5 -92.5 22.0 2.4 26.0 -23.6 90 85 A W G X4 S+ 0 0 12 -3,-1.5 3,-0.7 1,-0.3 -1,-0.2 0.833 71.8 48.7 -55.6 -30.5 4.3 24.2 -20.7 91 86 A L G 34 S+ 0 0 9 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.696 106.2 59.4 -83.3 -12.0 7.3 26.6 -20.8 92 87 A Q G <4 S+ 0 0 10 -3,-1.9 478,-2.2 477,-0.1 479,-0.2 0.504 75.3 115.1-100.0 -6.0 5.1 29.7 -20.8 93 88 A R S X< S- 0 0 28 -3,-0.7 3,-2.0 -4,-0.6 403,-0.1 -0.419 72.1-126.2 -66.6 142.9 3.3 29.1 -17.5 94 89 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 470,-0.1 0.804 108.5 65.8 -57.7 -29.1 4.0 31.6 -14.7 95 90 A E T 3 S+ 0 0 79 468,-0.2 2,-0.3 467,-0.1 468,-0.1 0.628 76.4 108.9 -68.9 -12.4 4.9 28.7 -12.4 96 91 A M < + 0 0 1 -3,-2.0 2,-0.3 -6,-0.1 29,-0.1 -0.536 42.5 167.5 -67.0 127.5 8.0 28.0 -14.6 97 92 A V - 0 0 5 -2,-0.3 29,-2.8 27,-0.2 30,-1.1 -0.983 18.8-150.5-143.0 129.5 11.2 29.0 -12.8 98 93 A G E -ab 127 499A 0 400,-3.0 402,-2.1 -2,-0.3 2,-0.3 -0.717 8.0-167.5-101.7 157.8 14.7 28.0 -13.9 99 94 A Y E -ab 128 500A 0 28,-1.8 30,-2.4 -2,-0.3 2,-0.4 -0.994 8.7-158.0-142.1 136.4 17.9 27.4 -11.9 100 95 A V E +ab 129 501A 10 400,-2.4 402,-2.4 -2,-0.3 2,-0.3 -0.972 24.1 150.8-125.0 127.2 21.4 27.2 -13.5 101 96 A A E -a 130 0A 0 28,-2.3 30,-2.3 -2,-0.4 2,-0.5 -0.995 48.8-113.4-155.9 150.6 24.4 25.4 -11.9 102 97 A Y > - 0 0 16 -2,-0.3 4,-2.1 28,-0.2 5,-0.3 -0.783 37.3-131.1 -76.6 125.7 27.6 23.5 -12.4 103 98 A T H > S+ 0 0 2 -2,-0.5 4,-2.4 28,-0.3 5,-0.3 0.864 104.7 41.2 -47.0 -51.8 26.9 20.0 -11.0 104 99 A D H > S+ 0 0 45 3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 114.0 51.6 -70.6 -39.4 30.0 19.8 -8.9 105 100 A R H 4 S+ 0 0 25 1,-0.2 427,-3.1 2,-0.2 -2,-0.2 0.804 117.6 40.2 -66.1 -26.6 29.9 23.4 -7.6 106 101 A F H < S- 0 0 1 -4,-2.1 -2,-0.2 425,-0.2 -1,-0.2 0.868 143.4 -13.3 -86.9 -44.2 26.3 22.9 -6.5 107 102 A A H < S- 0 0 18 -4,-2.4 2,-1.8 -5,-0.3 -3,-0.2 0.196 83.9-111.4-156.4 16.8 26.3 19.4 -5.0 108 103 A G S < S+ 0 0 37 -4,-1.7 2,-0.2 -5,-0.3 -4,-0.1 -0.354 87.6 10.6 83.3 -58.1 29.5 17.6 -5.9 109 104 A T S > S- 0 0 54 -2,-1.8 4,-1.9 -6,-0.2 49,-0.2 -0.881 84.9 -92.1-146.6 172.9 28.1 14.8 -8.2 110 105 A L H > S+ 0 0 0 47,-2.6 4,-1.4 -2,-0.2 3,-0.2 0.927 128.3 48.6 -59.1 -43.2 24.9 13.9 -10.1 111 106 A K H > S+ 0 0 87 46,-0.5 4,-1.0 1,-0.2 -1,-0.2 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169 A G T < 5S+ 0 0 30 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.777 76.3 138.0 69.7 30.8 8.0 18.5 -11.9 175 170 A I < - 0 0 1 -5,-2.9 2,-0.5 -6,-0.1 -48,-0.3 -0.897 45.5-142.9-113.2 131.7 11.6 19.6 -12.9 176 171 A S E -c 127 0A 1 -50,-1.9 -48,-2.9 -2,-0.4 2,-0.4 -0.833 15.9-130.4 -93.2 126.5 13.0 19.4 -16.5 177 172 A L E -c 128 0A 1 -2,-0.5 107,-2.5 105,-0.5 108,-1.4 -0.633 26.1-169.0 -73.8 130.2 16.6 18.6 -17.0 178 173 A V E +cd 129 285A 0 -50,-2.9 -48,-2.1 -2,-0.4 2,-0.3 -0.984 8.3 176.1-127.6 128.8 18.3 21.1 -19.4 179 174 A L E -cd 130 286A 4 106,-2.2 108,-2.2 -2,-0.4 2,-0.2 -0.951 31.1-103.1-131.9 154.3 21.8 20.5 -20.9 180 175 A D E - d 0 287A 8 -50,-0.6 2,-0.6 -2,-0.3 108,-0.2 -0.517 16.3-154.6 -69.2 136.9 24.2 22.2 -23.3 181 176 A L E - d 0 288A 2 106,-3.7 2,-1.8 -2,-0.2 108,-1.7 -0.968 11.3-159.9-105.8 104.2 24.6 20.8 -26.8 182 177 A V + 0 0 4 -2,-0.6 3,-0.2 1,-0.2 -35,-0.1 -0.630 32.4 153.0 -87.8 80.8 28.2 22.1 -27.6 183 178 A L + 0 0 0 -2,-1.8 -1,-0.2 106,-0.4 3,-0.1 0.518 50.9 65.7 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-2,-0.2 0.883 112.2 54.3 -67.8 -41.5 40.1 15.5 -34.0 194 189 A Q H X S+ 0 0 91 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.959 113.0 43.9 -58.0 -46.8 42.7 12.7 -33.0 195 190 A K H <>S+ 0 0 69 -4,-2.9 5,-2.5 2,-0.2 4,-0.5 0.828 108.9 56.0 -70.1 -28.9 41.8 10.8 -36.2 196 191 A A H ><5S+ 0 0 2 -4,-1.4 3,-0.9 7,-0.3 46,-0.4 0.937 111.3 45.5 -65.2 -40.2 41.8 14.0 -38.3 197 192 A R H 3<5S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 108.4 55.8 -73.0 -38.3 45.4 14.5 -37.1 198 193 A A T 3<5S- 0 0 90 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.501 126.0-101.5 -71.3 -7.9 46.3 10.8 -37.7 199 194 A G T < 5 + 0 0 41 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.467 66.2 153.2 105.2 4.6 45.2 11.3 -41.3 200 195 A D >< - 0 0 63 -5,-2.5 4,-2.8 1,-0.2 3,-0.3 -0.525 33.4-153.3 -68.2 116.9 41.8 9.8 -41.6 201 196 A P H > S+ 0 0 99 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.807 91.7 60.8 -66.7 -26.1 40.1 11.8 -44.5 202 197 A K H 4 S+ 0 0 84 1,-0.2 -6,-0.1 2,-0.2 64,-0.1 0.936 114.7 34.5 -60.7 -46.2 36.6 11.2 -43.2 203 198 A Y H >4 S+ 0 0 39 -3,-0.3 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