==== 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 TRANSFERASE 05-NOV-09 3KKB . COMPND 2 MOLECULE: SENSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR K.TAN,G.CHHOR,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12740.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 81.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 75.6 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+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 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 1 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 39 A S > 0 0 120 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -24.0 -4.8 13.6 -5.0 2 40 A N H > + 0 0 109 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.895 360.0 54.1 -73.2 -41.4 -5.3 11.6 -1.8 3 41 A A H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 107.3 54.4 -58.5 -31.5 -1.9 12.7 -0.5 4 42 A Q H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 110.4 42.5 -67.8 -48.5 -3.1 16.2 -1.2 5 43 A E H X S+ 0 0 127 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.792 113.3 54.5 -70.3 -28.0 -6.2 15.9 0.9 6 44 A Q H X S+ 0 0 87 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.864 106.4 50.1 -72.7 -38.8 -4.2 14.0 3.6 7 45 A R H X S+ 0 0 161 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.899 113.1 47.7 -63.7 -41.1 -1.7 16.8 3.9 8 46 A X H X S+ 0 0 19 -4,-1.8 4,-1.9 1,-0.2 3,-0.2 0.932 110.6 51.1 -62.8 -47.8 -4.5 19.3 4.2 9 47 A S H X S+ 0 0 62 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.862 106.7 54.5 -58.5 -38.0 -6.2 17.1 6.8 10 48 A H H X S+ 0 0 61 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.841 104.5 54.3 -69.3 -32.5 -3.0 16.9 8.8 11 49 A H H X S+ 0 0 26 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.932 109.6 47.1 -63.0 -47.3 -2.8 20.7 8.9 12 50 A Y H X S+ 0 0 31 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.916 109.0 55.0 -58.9 -42.9 -6.3 20.9 10.4 13 51 A A H X S+ 0 0 29 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.921 108.9 49.2 -56.4 -42.7 -5.4 18.2 12.9 14 52 A T H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.906 110.4 48.0 -65.8 -41.1 -2.5 20.3 14.0 15 53 A I H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.895 110.8 52.3 -69.9 -33.3 -4.6 23.5 14.4 16 54 A E H X S+ 0 0 112 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.912 109.5 49.9 -64.3 -43.3 -7.2 21.5 16.4 17 55 A V H X S+ 0 0 18 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.937 110.3 50.8 -56.2 -47.5 -4.5 20.3 18.6 18 56 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 109.7 49.4 -59.8 -43.5 -3.2 23.9 19.1 19 57 A Q H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.920 112.6 47.8 -63.4 -42.6 -6.7 25.1 20.0 20 58 A Q H X S+ 0 0 88 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 110.9 50.4 -65.3 -42.6 -7.2 22.3 22.6 21 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.905 110.6 50.0 -62.2 -39.9 -3.8 22.9 24.1 22 60 A R H X S+ 0 0 24 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.913 109.8 51.1 -66.2 -38.5 -4.5 26.6 24.5 23 61 A Q H X S+ 0 0 48 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 112.1 46.9 -60.0 -46.0 -7.9 25.8 26.1 24 62 A L H X S+ 0 0 14 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.873 110.5 50.8 -66.6 -39.9 -6.2 23.5 28.6 25 63 A L H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 110.5 51.4 -63.6 -40.9 -3.4 26.0 29.4 26 64 A G H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.928 108.8 50.5 -57.9 -46.4 -6.2 28.6 30.0 27 65 A D H X S+ 0 0 58 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.861 110.8 50.1 -56.6 -40.9 -8.0 26.1 32.3 28 66 A Q H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.867 109.5 49.0 -72.5 -37.7 -4.8 25.6 34.3 29 67 A L H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.899 109.1 53.8 -68.7 -38.3 -4.0 29.3 34.7 30 68 A V H < S+ 0 0 3 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.933 110.8 46.4 -59.3 -47.0 -7.6 29.9 35.9 31 69 A I H >< S+ 0 0 12 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.929 110.7 52.3 -58.5 -46.0 -7.1 27.2 38.5 32 70 A L H 3< S+ 0 0 7 -4,-2.3 59,-0.6 1,-0.3 60,-0.3 0.761 105.3 56.5 -65.7 -25.0 -3.7 28.5 39.6 33 71 A L T 3< S+ 0 0 0 -4,-1.5 65,-0.5 -3,-0.3 -1,-0.3 0.382 85.0 109.2 -89.6 1.7 -5.2 32.0 40.1 34 72 A R S < S- 0 0 86 -3,-1.7 58,-0.6 -4,-0.2 57,-0.2 -0.425 81.1-118.0 -74.0 155.4 -7.9 30.8 42.5 35 73 A E S S+ 0 0 92 1,-0.3 -1,-0.1 56,-0.1 -4,-0.0 0.886 114.5 18.6 -56.6 -40.3 -7.7 31.7 46.2 36 74 A T S S- 0 0 117 53,-0.1 -1,-0.3 -5,-0.0 -3,-0.1 -0.776 89.6-151.2-132.2 87.8 -7.5 28.0 46.9 37 75 A P - 0 0 18 0, 0.0 2,-1.0 0, 0.0 -5,-0.1 -0.356 18.1-123.0 -63.2 133.0 -6.3 26.1 43.7 38 76 A D > - 0 0 70 1,-0.2 4,-2.3 -7,-0.1 5,-0.2 -0.682 22.5-166.5 -76.0 104.1 -7.5 22.5 43.4 39 77 A G H > S+ 0 0 17 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.824 86.6 53.9 -60.2 -34.4 -4.3 20.6 43.0 40 78 A Q H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 109.6 46.3 -66.5 -45.6 -6.1 17.5 41.9 41 79 A A H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.879 111.3 53.1 -62.4 -39.9 -8.0 19.4 39.1 42 80 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.933 109.0 49.9 -60.8 -45.5 -4.7 21.0 38.1 43 81 A E H X S+ 0 0 101 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.899 109.4 49.7 -61.7 -43.5 -3.1 17.6 37.8 44 82 A R H X S+ 0 0 146 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.899 112.6 48.2 -62.6 -40.6 -5.9 16.1 35.7 45 83 A S H X S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.895 110.9 50.1 -65.6 -43.4 -5.7 19.1 33.4 46 84 A Q H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.868 111.5 48.3 -66.1 -37.2 -1.9 18.9 33.0 47 85 A N H X S+ 0 0 66 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.890 110.3 52.6 -67.8 -36.9 -2.2 15.2 32.3 48 86 A D H X S+ 0 0 61 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.939 108.1 51.2 -60.8 -47.5 -4.9 16.0 29.7 49 87 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.923 111.3 47.4 -54.3 -48.5 -2.5 18.6 28.1 50 88 A R H X S+ 0 0 78 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.908 111.4 50.8 -64.8 -40.5 0.3 16.0 27.8 51 89 A R H X S+ 0 0 155 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.929 112.7 46.0 -59.5 -46.9 -2.1 13.4 26.4 52 90 A V H X S+ 0 0 19 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.904 113.5 49.3 -64.8 -41.3 -3.3 15.8 23.7 53 91 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.922 111.5 47.9 -63.5 -46.1 0.2 16.9 22.9 54 92 A E H X S+ 0 0 79 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.892 110.5 51.7 -66.0 -37.2 1.5 13.4 22.5 55 93 A Q H X S+ 0 0 123 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.916 112.0 48.3 -61.8 -42.5 -1.4 12.4 20.3 56 94 A G H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 3,-0.4 0.919 111.3 48.7 -62.7 -44.1 -0.6 15.4 18.2 57 95 A R H < S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.3 53.4 -66.4 -35.8 3.1 14.6 18.0 58 96 A A H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.767 112.8 43.9 -70.2 -25.2 2.3 11.0 17.0 59 97 A N H < S+ 0 0 77 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.2 0.748 90.2 98.9 -88.2 -26.2 0.0 12.1 14.1 60 98 A T < + 0 0 11 -4,-1.5 -49,-0.0 1,-0.2 -4,-0.0 -0.450 31.9 166.7 -81.1 129.8 2.1 14.8 12.6 61 99 A V + 0 0 113 -2,-0.3 -1,-0.2 -54,-0.1 5,-0.1 0.764 48.0 103.7-101.2 -34.4 4.2 14.2 9.5 62 100 A D > - 0 0 61 1,-0.1 4,-2.5 -55,-0.1 5,-0.2 -0.218 66.8-142.2 -55.8 129.1 4.9 17.8 8.5 63 101 A S H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.894 97.3 46.0 -64.5 -43.7 8.5 18.7 9.5 64 102 A A H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 114.7 48.3 -66.5 -39.3 7.9 22.3 10.6 65 103 A E H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.905 109.9 52.2 -68.4 -37.7 4.8 21.3 12.6 66 104 A Q H X S+ 0 0 48 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.931 110.3 49.1 -61.3 -44.8 6.6 18.4 14.3 67 105 A A H X S+ 0 0 64 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.909 111.0 49.2 -60.1 -44.2 9.4 20.8 15.3 68 106 A A H X S+ 0 0 27 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.928 111.5 49.6 -62.9 -43.1 6.9 23.3 16.7 69 107 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 109.1 51.0 -64.6 -40.2 5.1 20.5 18.7 70 108 A D H X S+ 0 0 39 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.881 108.7 52.9 -62.7 -37.9 8.4 19.3 20.1 71 109 A G H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.880 107.1 51.7 -64.1 -41.0 9.2 22.9 21.2 72 110 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.929 108.3 51.9 -58.7 -46.8 5.8 23.0 23.0 73 111 A R H X S+ 0 0 82 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.915 111.3 46.3 -55.5 -46.5 6.6 19.8 24.8 74 112 A D H X S+ 0 0 85 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.936 114.2 47.9 -63.0 -46.2 10.0 21.2 26.0 75 113 A A H X S+ 0 0 11 -4,-2.5 4,-1.9 1,-0.2 156,-0.2 0.870 108.8 54.1 -63.7 -37.3 8.3 24.5 27.1 76 114 A Y H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.877 103.8 55.2 -65.8 -36.1 5.5 22.7 28.9 77 115 A L H X S+ 0 0 108 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.899 108.2 49.7 -62.9 -40.3 8.0 20.6 31.0 78 116 A Q H < S+ 0 0 142 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.903 112.1 46.8 -64.3 -42.4 9.6 23.9 32.1 79 117 A L H >< S+ 0 0 10 -4,-1.9 3,-1.9 148,-0.2 4,-0.5 0.934 107.0 58.5 -65.2 -44.7 6.3 25.3 33.1 80 118 A Q H >< S+ 0 0 42 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.824 93.8 67.5 -51.4 -36.2 5.3 22.1 34.9 81 119 A A T 3< S+ 0 0 77 -4,-1.3 4,-0.3 1,-0.3 -1,-0.3 0.760 97.7 52.2 -60.5 -26.8 8.4 22.5 37.1 82 120 A H T <> S+ 0 0 44 -3,-1.9 4,-1.5 -4,-0.5 3,-0.3 0.612 86.4 89.6 -85.0 -13.3 6.9 25.6 38.8 83 121 A T H <> S+ 0 0 10 -3,-1.4 4,-1.2 -4,-0.5 5,-0.2 0.873 79.7 52.2 -55.3 -52.0 3.5 24.0 39.6 84 122 A P H >> S+ 0 0 78 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.894 109.5 49.8 -57.7 -41.9 4.2 22.5 43.1 85 123 A A H 3> S+ 0 0 20 -4,-0.3 4,-1.1 -3,-0.3 133,-0.4 0.880 107.0 55.4 -66.2 -36.1 5.5 25.8 44.5 86 124 A L H 3< S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.2 5,-0.2 0.757 109.0 48.3 -66.1 -25.3 2.4 27.7 43.2 87 125 A L H << S+ 0 0 55 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.735 99.7 65.8 -85.9 -24.7 0.2 25.3 45.1 88 126 A E H < S+ 0 0 132 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.852 122.8 10.6 -64.7 -36.6 2.1 25.5 48.4 89 127 A A S < S- 0 0 17 -4,-1.1 129,-0.4 -53,-0.0 -1,-0.3 -0.830 89.9-126.6-150.2 104.3 1.1 29.1 48.7 90 128 A P - 0 0 52 0, 0.0 -3,-0.1 0, 0.0 -57,-0.1 -0.070 4.0-140.7 -55.0 146.8 -1.6 30.6 46.4 91 129 A X S S+ 0 0 7 -59,-0.6 124,-0.4 -5,-0.2 2,-0.2 0.843 80.1 63.9 -73.6 -38.5 -1.0 33.8 44.3 92 130 A A - 0 0 12 -58,-0.6 3,-0.1 -60,-0.3 122,-0.1 -0.539 60.6-154.5 -98.1 156.3 -4.4 35.3 44.7 93 131 A D S S+ 0 0 141 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.606 84.3 5.7 -97.9 -19.8 -6.3 36.5 47.8 94 132 A N S S- 0 0 94 -61,-0.2 3,-0.4 -59,-0.0 4,-0.3 -0.928 77.9-106.1-154.5 172.7 -9.8 35.9 46.4 95 133 A D S > S+ 0 0 59 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.380 86.1 102.5 -89.1 3.5 -11.3 34.4 43.2 96 134 A G H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 84.1 41.1 -58.8 -46.2 -12.3 37.7 41.5 97 135 A F H > S+ 0 0 10 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.909 113.5 53.6 -70.7 -41.7 -9.5 37.9 39.0 98 136 A S H > S+ 0 0 3 -65,-0.5 4,-2.5 -4,-0.3 -2,-0.2 0.945 111.9 46.2 -54.5 -49.7 -9.6 34.2 38.2 99 137 A E H X S+ 0 0 130 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 114.5 45.0 -63.5 -45.8 -13.3 34.4 37.4 100 138 A A H X S+ 0 0 13 -4,-2.2 4,-1.9 -5,-0.2 106,-0.2 0.881 113.5 50.6 -66.5 -38.4 -13.1 37.6 35.3 101 139 A F H X S+ 0 0 14 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.938 110.9 49.6 -63.4 -44.7 -10.1 36.2 33.4 102 140 A N H X S+ 0 0 42 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.941 108.9 52.0 -57.7 -50.6 -12.0 33.0 32.7 103 141 A G H X S+ 0 0 21 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.887 114.9 42.4 -54.1 -43.7 -15.1 34.8 31.4 104 142 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 98,-0.2 -2,-0.2 0.926 113.3 49.3 -71.3 -47.1 -13.0 36.9 29.0 105 143 A R H X S+ 0 0 18 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.848 108.1 55.0 -67.1 -31.2 -10.7 34.1 27.7 106 144 A L H X S+ 0 0 66 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.902 106.9 51.0 -65.6 -40.9 -13.7 31.8 27.1 107 145 A R H X S+ 0 0 118 -4,-1.2 4,-1.8 -5,-0.2 -2,-0.2 0.896 111.1 47.7 -62.6 -41.3 -15.2 34.5 24.9 108 146 A L H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.871 111.4 51.2 -65.7 -39.1 -12.0 34.9 22.9 109 147 A Q H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 109.2 50.8 -62.4 -46.3 -11.8 31.1 22.5 110 148 A D H X S+ 0 0 86 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.905 106.3 54.5 -59.4 -42.8 -15.3 30.9 21.3 111 149 A L H X S+ 0 0 8 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.904 110.9 45.7 -60.7 -41.8 -14.7 33.6 18.7 112 150 A Q H X S+ 0 0 0 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-1,-0.2 0.915 112.9 48.1 -59.3 -44.2 -9.3 34.8 13.4 143 54 B E H X S+ 0 0 99 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.930 113.5 44.1 -66.1 -47.8 -6.7 37.6 13.1 144 55 B V H X S+ 0 0 28 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.934 115.8 47.7 -65.4 -42.1 -8.4 40.1 15.4 145 56 B S H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.878 110.0 53.8 -66.5 -35.0 -9.3 37.5 18.0 146 57 B Q H X S+ 0 0 6 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.897 107.9 50.3 -63.5 -40.1 -5.6 36.2 17.8 147 58 B Q H X S+ 0 0 74 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.945 111.7 47.4 -61.9 -48.9 -4.4 39.8 18.5 148 59 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.886 109.9 53.2 -61.4 -40.6 -6.7 40.1 21.5 149 60 B R H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.918 111.5 45.8 -60.0 -43.4 -5.6 36.7 22.8 150 61 B Q H X S+ 0 0 68 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.904 112.4 50.3 -64.9 -40.2 -2.0 37.7 22.6 151 62 B L H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.885 109.4 51.0 -70.5 -35.7 -2.6 41.0 24.3 152 63 B L H X S+ 0 0 9 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.919 111.1 48.5 -62.2 -44.0 -4.5 39.4 27.1 153 64 B G H X S+ 0 0 10 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.880 106.3 57.7 -64.6 -39.1 -1.6 37.0 27.6 154 65 B D H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.899 106.6 49.0 -53.2 -45.7 0.8 39.9 27.6 155 66 B Q H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.904 111.3 48.7 -64.0 -42.4 -1.1 41.4 30.5 156 67 B L H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.921 108.9 53.2 -63.5 -45.3 -1.0 38.2 32.5 157 68 B V H X S+ 0 0 15 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.906 110.8 47.5 -55.0 -44.8 2.7 37.8 31.9 158 69 B I H >< S+ 0 0 28 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.924 111.8 49.2 -62.0 -45.6 3.3 41.3 33.3 159 70 B L H 3< S+ 0 0 3 -4,-2.2 55,-0.9 1,-0.2 -1,-0.2 0.738 104.5 60.9 -69.6 -23.4 1.1 40.7 36.3 160 71 B L H 3< S+ 0 0 0 -4,-1.7 65,-0.3 -5,-0.1 -1,-0.2 0.647 82.4 100.6 -79.6 -15.4 2.9 37.4 37.1 161 72 B R S << S- 0 0 95 -3,-1.1 53,-0.4 -4,-0.6 61,-0.1 -0.278 88.8-109.2 -70.1 158.3 6.3 39.0 37.5 162 73 B E S S+ 0 0 114 1,-0.3 -1,-0.1 51,-0.1 53,-0.0 0.879 114.0 21.0 -55.7 -43.0 7.5 39.6 41.1 163 74 B T S S- 0 0 107 50,-0.1 -1,-0.3 -5,-0.1 -3,-0.1 -0.837 90.9-140.9-127.7 92.1 7.0 43.3 40.7 164 75 B P - 0 0 25 0, 0.0 2,-0.8 0, 0.0 -5,-0.1 -0.312 16.6-124.2 -58.8 131.9 4.6 44.1 37.9 165 76 B D > - 0 0 87 -7,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.685 18.3-161.0 -81.2 105.9 5.6 47.1 35.8 166 77 B G H > S+ 0 0 48 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.832 89.8 54.5 -58.7 -37.1 2.6 49.4 35.9 167 78 B Q H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 109.9 46.0 -61.3 -48.2 3.8 51.3 32.9 168 79 B A H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.902 113.1 51.4 -62.5 -39.5 4.0 48.1 30.8 169 80 B L H X S+ 0 0 25 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.935 109.0 47.7 -66.6 -45.9 0.6 47.0 32.1 170 81 B E H X S+ 0 0 89 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.893 111.5 52.3 -65.6 -33.5 -1.3 50.2 31.2 171 82 B R H X S+ 0 0 132 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.908 110.7 47.3 -63.7 -41.4 0.4 50.1 27.7 172 83 B S H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.892 110.5 51.8 -69.0 -39.1 -0.8 46.6 27.2 173 84 B Q H X S+ 0 0 32 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.886 109.6 51.1 -60.1 -40.2 -4.3 47.5 28.4 174 85 B N H X S+ 0 0 62 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.920 108.1 52.1 -63.6 -44.5 -4.3 50.3 25.9 175 86 B D H X S+ 0 0 49 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.932 110.1 47.9 -54.9 -49.6 -3.2 47.9 23.1 176 87 B F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.935 112.6 49.3 -60.7 -46.2 -6.1 45.5 23.8 177 88 B R H X S+ 0 0 91 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.897 111.0 48.8 -57.8 -47.1 -8.6 48.4 24.0 178 89 B R H X S+ 0 0 138 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.924 113.8 45.6 -65.0 -43.6 -7.4 49.9 20.6 179 90 B V H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 114.0 49.3 -65.1 -46.6 -7.6 46.6 18.8 180 91 B L H X S+ 0 0 2 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.918 112.7 46.0 -57.0 -48.6 -11.0 45.7 20.2 181 92 B E H X S+ 0 0 75 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.855 111.6 51.1 -70.9 -32.8 -12.5 49.1 19.4 182 93 B Q H X S+ 0 0 135 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.920 111.2 49.8 -66.9 -42.6 -11.1 49.1 15.8 183 94 B G H >X S+ 0 0 9 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.947 110.4 49.5 -55.8 -51.9 -12.6 45.6 15.4 184 95 B R H 3< S+ 0 0 51 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.866 113.5 46.9 -56.9 -37.6 -16.0 46.8 16.7 185 96 B A H 3< S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.754 113.9 47.2 -76.9 -23.6 -15.9 49.7 14.3 186 97 B N H << S+ 0 0 124 -4,-1.6 2,-0.5 -3,-0.5 -1,-0.2 0.348 92.1 90.0-104.7 3.8 -14.9 47.7 11.3 187 98 B T < + 0 0 15 -4,-0.7 -4,-0.0 -3,-0.5 0, 0.0 -0.888 37.1 170.3-101.8 131.3 -17.3 44.8 11.6 188 99 B V + 0 0 142 -2,-0.5 -1,-0.1 5,-0.0 2,-0.1 0.599 49.3 110.7-104.1 -22.0 -20.7 45.0 9.9 189 100 B D > - 0 0 55 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.319 66.2-142.7 -58.0 125.7 -21.5 41.4 10.7 190 101 B S H > S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.838 96.4 46.5 -63.2 -34.6 -24.3 41.2 13.3 191 102 B A H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.946 113.3 44.4 -74.9 -52.2 -22.8 38.1 15.0 192 103 B E H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.915 111.6 56.4 -60.1 -41.5 -19.2 39.2 15.3 193 104 B Q H X S+ 0 0 63 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.921 109.3 46.7 -51.0 -46.4 -20.5 42.6 16.4 194 105 B A H X S+ 0 0 61 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.909 112.8 47.9 -64.4 -46.4 -22.4 40.7 19.2 195 106 B A H X S+ 0 0 34 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.906 111.4 50.1 -61.2 -44.0 -19.3 38.7 20.2 196 107 B L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.848 107.4 54.3 -67.1 -34.8 -17.1 41.7 20.3 197 108 B D H X S+ 0 0 46 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.881 108.9 49.3 -61.1 -40.6 -19.6 43.6 22.5 198 109 B G H X S+ 0 0 17 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.857 109.0 51.8 -66.9 -37.4 -19.4 40.6 24.9 199 110 B V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 108.6 51.9 -63.3 -43.4 -15.6 40.7 24.8 200 111 B R H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.943 110.0 47.9 -59.6 -47.7 -15.8 44.5 25.7 201 112 B D H X S+ 0 0 85 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.921 114.3 46.3 -56.4 -46.8 -18.1 43.9 28.6 202 113 B A H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.819 108.8 56.2 -68.5 -32.0 -15.9 41.1 29.9 203 114 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