==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-JAN-07 2JEK . COMPND 2 MOLECULE: RV1873; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.R.GAREN,M.M.CHERNEY,E.M.BERGMANN,M.N.G.JAMES, . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 1 0.7 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 . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 1 1 2 1 0 0 0 1 1 0 0 0 0 0 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 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 6 A D > 0 0 107 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 63.5 20.8 20.3 42.1 2 7 A P T 3 + 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.756 360.0 47.6 -60.9 -26.9 20.0 20.4 45.8 3 8 A F T 3 S- 0 0 67 56,-0.1 52,-0.1 59,-0.0 60,-0.0 0.383 108.3-120.9 -93.9 4.0 18.0 17.1 45.7 4 9 A D X + 0 0 65 -3,-2.0 3,-1.6 1,-0.1 4,-0.3 0.914 51.7 162.1 55.9 44.1 20.7 15.2 43.7 5 10 A L T >> + 0 0 9 1,-0.3 3,-1.5 2,-0.2 4,-1.4 0.747 60.8 79.8 -65.2 -21.8 18.2 14.5 40.9 6 11 A K H 3> S+ 0 0 98 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.818 77.8 70.5 -55.6 -28.1 21.2 13.8 38.8 7 12 A R H <> S+ 0 0 26 -3,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.880 101.3 45.1 -57.2 -35.9 21.3 10.3 40.4 8 13 A F H <> S+ 0 0 0 -3,-1.5 4,-2.5 -4,-0.3 -1,-0.2 0.908 110.2 53.3 -74.5 -41.0 18.1 9.5 38.5 9 14 A V H X S+ 0 0 31 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.934 113.6 42.6 -58.5 -46.2 19.4 10.9 35.2 10 15 A Y H < S+ 0 0 151 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.820 113.2 51.3 -74.2 -33.0 22.5 8.8 35.4 11 16 A A H < S+ 0 0 15 -4,-1.7 4,-0.3 -5,-0.3 -1,-0.2 0.882 113.2 47.2 -66.5 -39.3 20.7 5.6 36.5 12 17 A Q H >X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 3,-1.4 0.826 94.0 79.5 -69.6 -31.9 18.3 6.0 33.7 13 18 A A T 3< S+ 0 0 68 -4,-1.5 4,-0.4 1,-0.3 3,-0.3 0.860 93.1 43.2 -51.5 -52.3 20.9 6.6 31.0 14 19 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.661 129.1 27.0 -68.5 -16.1 22.1 3.1 30.3 15 20 A V T <> S+ 0 0 41 -3,-1.4 4,-2.2 -4,-0.3 3,-0.4 0.494 85.2 101.7-122.9 -7.3 18.6 1.6 30.3 16 21 A Y H X S+ 0 0 18 -4,-2.2 4,-2.5 -3,-0.3 5,-0.2 0.855 83.7 51.5 -61.1 -38.8 16.0 4.2 29.3 17 22 A R H > S+ 0 0 155 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.928 111.5 48.8 -62.1 -39.3 15.5 3.1 25.7 18 23 A S H > S+ 0 0 46 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.878 108.9 54.2 -67.4 -35.3 14.9 -0.4 27.0 19 24 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.959 110.1 46.2 -57.6 -52.6 12.4 1.0 29.5 20 25 A V H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.909 113.7 48.8 -57.4 -44.3 10.5 2.7 26.8 21 26 A E H X S+ 0 0 84 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.911 111.9 48.8 -65.9 -41.0 10.5 -0.4 24.6 22 27 A E H <>S+ 0 0 28 -4,-2.7 5,-2.5 2,-0.2 4,-0.4 0.903 115.1 43.8 -64.8 -42.8 9.3 -2.6 27.5 23 28 A L H ><5S+ 0 0 1 -4,-2.6 3,-0.8 3,-0.2 -2,-0.2 0.888 110.8 54.5 -72.2 -38.3 6.5 -0.3 28.4 24 29 A R H 3<5S+ 0 0 128 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.862 112.1 46.0 -55.8 -38.3 5.5 0.3 24.7 25 30 A A T 3<5S- 0 0 67 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.512 117.5-116.2 -84.6 -8.6 5.3 -3.6 24.5 26 31 A G T < 5S+ 0 0 2 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.701 81.3 87.9 82.3 21.4 3.3 -3.8 27.7 27 32 A R < - 0 0 117 -5,-2.5 2,-0.3 65,-0.0 65,-0.2 -0.846 64.8-137.1-155.9 121.1 5.7 -5.8 29.9 28 33 A K + 0 0 34 63,-2.7 65,-0.3 -2,-0.3 -9,-0.1 -0.531 32.2 157.1 -70.8 132.6 8.5 -4.8 32.2 29 34 A R + 0 0 163 -2,-0.3 -1,-0.1 -11,-0.1 -10,-0.1 0.610 45.6 77.8-124.1 -33.2 11.6 -7.0 31.9 30 35 A G S S- 0 0 17 -12,-0.1 2,-1.1 -15,-0.1 3,-0.3 -0.213 82.3-105.1 -87.8 174.7 14.6 -5.0 33.2 31 36 A H S S+ 0 0 161 1,-0.2 -1,-0.1 2,-0.1 -16,-0.0 -0.713 82.9 100.1-100.0 81.8 15.9 -4.0 36.6 32 37 A W >> + 0 0 1 -2,-1.1 3,-1.0 2,-0.0 4,-0.7 0.350 29.5 116.1-148.9 7.3 15.0 -0.4 36.8 33 38 A M H >> S+ 0 0 2 -3,-0.3 4,-2.4 1,-0.2 3,-1.1 0.881 73.9 59.9 -55.2 -44.7 11.8 0.2 38.9 34 39 A W H 34 S+ 0 0 58 1,-0.3 5,-0.3 2,-0.2 -1,-0.2 0.778 115.7 31.2 -58.7 -32.0 13.4 2.3 41.6 35 40 A F H <4 S+ 0 0 18 -3,-1.0 -1,-0.3 3,-0.1 -2,-0.2 0.313 120.3 49.3-116.1 7.1 14.7 5.1 39.4 36 41 A V H << S+ 0 0 2 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.2 0.712 126.4 22.4-107.1 -42.8 12.0 5.0 36.6 37 42 A F S < S- 0 0 2 -4,-2.4 66,-0.2 -5,-0.3 -1,-0.1 -0.729 92.5-159.3-122.4 78.2 8.9 5.1 38.9 38 43 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 69,-0.2 -0.229 9.0-168.4 -68.1 150.2 10.3 6.6 42.1 39 44 A Q - 0 0 20 -5,-0.3 15,-2.6 13,-0.3 64,-0.1 -0.836 35.7 -70.5-128.5 167.6 8.6 6.1 45.5 40 45 A L B > -a 54 0A 9 -2,-0.3 3,-1.5 13,-0.2 4,-0.4 -0.284 51.0-110.5 -61.0 138.8 9.1 7.7 48.9 41 46 A R T 3 S+ 0 0 96 13,-2.9 9,-0.1 1,-0.2 -1,-0.1 -0.413 104.5 45.1 -62.2 141.7 12.2 6.8 50.8 42 47 A G T 3 S+ 0 0 53 2,-0.7 -1,-0.2 -3,-0.1 8,-0.1 0.153 89.8 87.6 104.2 -18.6 11.3 4.6 53.8 43 48 A L S < S+ 0 0 16 -3,-1.5 2,-0.3 6,-0.1 -2,-0.1 0.862 95.0 33.0 -77.5 -39.4 8.9 2.4 51.8 44 49 A G - 0 0 19 -4,-0.4 -2,-0.7 5,-0.1 -1,-0.1 -0.855 66.4-158.4-113.5 155.1 11.7 -0.1 50.7 45 50 A S + 0 0 113 -2,-0.3 -1,-0.1 -4,-0.1 -4,-0.0 0.545 54.4 107.7-114.2 -8.2 14.7 -0.9 52.8 46 51 A S S > S- 0 0 54 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.358 82.5-111.1 -66.2 147.9 17.3 -2.3 50.3 47 52 A P H > S+ 0 0 92 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.876 120.5 50.2 -44.3 -42.5 20.2 0.0 49.5 48 53 A L H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.923 110.8 47.1 -62.1 -50.0 18.8 0.5 46.0 49 54 A A H 4 S+ 0 0 6 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.895 116.6 45.3 -59.2 -39.8 15.3 1.4 47.3 50 55 A V H >< S+ 0 0 59 -4,-2.9 3,-1.1 2,-0.2 -2,-0.2 0.961 112.2 49.9 -69.7 -49.9 16.8 3.8 49.8 51 56 A R H 3< S+ 0 0 124 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.898 119.6 36.8 -52.4 -47.9 19.3 5.5 47.3 52 57 A Y T 3< S+ 0 0 36 -4,-2.3 -1,-0.3 -5,-0.2 -13,-0.3 0.359 92.0 119.7 -94.0 4.9 16.6 6.1 44.7 53 58 A G S < S- 0 0 0 -3,-1.1 2,-0.4 -4,-0.4 -13,-0.2 -0.403 70.1-117.2 -67.6 143.9 13.9 6.9 47.3 54 59 A I B -a 40 0A 1 -15,-2.6 -13,-2.9 1,-0.1 -1,-0.1 -0.746 19.5-150.0 -84.3 130.2 12.3 10.3 47.1 55 60 A S - 0 0 61 -2,-0.4 2,-0.3 -15,-0.2 -1,-0.1 0.793 64.4 -18.3 -74.2 -30.3 13.1 12.2 50.3 56 61 A S S > S- 0 0 31 1,-0.1 4,-2.0 -16,-0.0 5,-0.2 -0.968 70.3 -89.2-165.4 167.3 10.0 14.4 50.5 57 62 A L H > S+ 0 0 45 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.877 124.4 58.5 -58.7 -36.8 7.1 15.9 48.6 58 63 A E H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 104.9 49.1 -62.5 -39.2 9.4 18.9 47.8 59 64 A E H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 109.1 52.5 -65.7 -40.1 11.8 16.5 46.1 60 65 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.904 109.7 49.8 -59.7 -39.6 8.9 14.9 44.1 61 66 A Q H X S+ 0 0 81 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.921 110.6 48.6 -66.5 -41.9 8.0 18.4 43.0 62 67 A A H X S+ 0 0 15 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.874 108.4 55.6 -61.8 -37.7 11.5 19.1 41.9 63 68 A Y H < S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 7,-0.4 0.936 108.1 47.7 -61.1 -46.0 11.6 15.8 40.1 64 69 A L H < S+ 0 0 28 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.826 109.7 52.9 -64.1 -34.2 8.5 16.8 38.1 65 70 A Q H < S+ 0 0 162 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.734 82.8 106.7 -72.5 -24.6 10.0 20.2 37.3 66 71 A H S X S- 0 0 59 -4,-1.3 4,-2.3 -3,-0.5 -3,-0.0 -0.383 72.7-138.1 -62.4 127.0 13.2 18.6 35.9 67 72 A D T 4 S+ 0 0 147 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.550 99.0 32.9 -75.2 -5.0 13.0 19.0 32.1 68 73 A L T > S+ 0 0 65 -5,-0.1 4,-1.9 3,-0.1 -1,-0.2 0.756 123.4 41.0-103.4 -52.8 14.3 15.4 31.5 69 74 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.857 113.7 51.1 -69.3 -41.0 12.9 13.5 34.5 70 75 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -7,-0.4 5,-0.2 0.977 113.3 43.7 -61.3 -57.9 9.4 15.0 34.6 71 76 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.884 113.6 53.0 -55.3 -38.2 8.6 14.5 30.9 72 77 A R H X S+ 0 0 51 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.902 107.1 51.2 -63.9 -40.9 10.1 11.0 31.2 73 78 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.906 112.0 46.5 -64.0 -39.5 7.8 10.1 34.1 74 79 A H H X S+ 0 0 66 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.899 111.9 52.3 -67.8 -39.1 4.8 11.3 32.2 75 80 A E H X S+ 0 0 73 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.950 112.6 44.2 -57.8 -47.5 6.0 9.4 29.1 76 81 A C H X S+ 0 0 1 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.891 114.2 48.9 -69.4 -40.3 6.3 6.2 31.2 77 82 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.931 111.5 50.5 -61.4 -45.9 3.0 6.7 33.0 78 83 A G H X S+ 0 0 31 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.874 106.7 54.1 -61.3 -39.9 1.3 7.3 29.6 79 84 A L H X S+ 0 0 18 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.905 110.0 47.1 -60.4 -42.2 2.7 4.2 28.1 80 85 A V H >< S+ 0 0 1 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.927 109.4 53.7 -65.3 -43.8 1.3 2.1 30.9 81 86 A N H 3< S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.791 104.8 57.6 -60.3 -26.3 -2.1 3.8 30.6 82 87 A Q H 3< S+ 0 0 132 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.649 79.7 106.6 -79.6 -21.8 -2.1 2.9 26.9 83 88 A V << - 0 0 18 -3,-1.1 2,-0.4 -4,-0.7 -58,-0.1 -0.387 58.6-152.3 -64.3 134.4 -1.8 -0.9 27.4 84 89 A Q + 0 0 146 1,-0.1 3,-0.1 -2,-0.1 -2,-0.1 -0.904 62.0 8.3-114.5 141.5 -5.0 -2.8 26.7 85 90 A G S S+ 0 0 83 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.404 96.3 108.2 81.9 0.3 -6.4 -6.0 28.1 86 91 A R - 0 0 98 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.910 62.6-132.9-116.6 137.9 -3.7 -6.5 30.8 87 92 A S >> - 0 0 51 -2,-0.4 3,-1.4 1,-0.1 4,-1.0 -0.408 36.4-106.5 -74.6 162.0 -4.0 -6.3 34.5 88 93 A I H >> S+ 0 0 2 36,-0.3 4,-3.3 1,-0.3 3,-0.5 0.842 120.2 59.5 -64.3 -29.3 -1.2 -4.3 36.2 89 94 A E H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.685 101.5 55.5 -73.1 -17.0 0.3 -7.5 37.6 90 95 A E H <4 S+ 0 0 113 -3,-1.4 -1,-0.2 3,-0.1 -2,-0.2 0.739 115.7 36.7 -81.2 -25.6 0.7 -8.8 34.0 91 96 A I H << S+ 0 0 1 -4,-1.0 -63,-2.7 -3,-0.5 2,-0.5 0.870 131.1 27.8 -90.0 -45.0 2.7 -5.6 33.1 92 97 A F S < S- 0 0 0 -4,-3.3 -1,-0.3 -65,-0.2 5,-0.3 -0.940 83.5-143.0-121.2 104.2 4.6 -5.2 36.4 93 98 A G > - 0 0 39 -2,-0.5 3,-2.2 -65,-0.3 4,-0.2 -0.348 48.0 -54.9 -63.4 144.4 5.2 -8.5 38.2 94 99 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.307 124.8 29.5 -51.7 144.0 4.9 -8.2 42.0 95 100 A P T >> S+ 0 0 83 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.966 115.5 63.7 -91.5 11.2 6.4 -6.5 43.9 96 101 A D H <> S+ 0 0 25 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 0.752 93.0 65.5 -68.9 -21.9 6.6 -3.9 41.1 97 102 A D H 3> S+ 0 0 17 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.913 105.9 43.5 -62.5 -39.9 2.8 -3.5 41.1 98 103 A L H <> S+ 0 0 104 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.893 110.6 55.3 -72.3 -39.3 3.0 -2.1 44.6 99 104 A K H X S+ 0 0 32 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 108.5 48.8 -57.3 -42.7 6.0 0.1 43.7 100 105 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.930 109.4 51.5 -65.7 -44.8 4.0 1.6 40.8 101 106 A C H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 29,-0.5 0.934 111.4 48.1 -55.4 -46.6 1.1 2.3 43.1 102 107 A S H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.895 112.2 49.4 -61.2 -41.5 3.4 4.0 45.5 103 108 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.945 113.1 45.1 -63.8 -49.2 5.0 6.1 42.8 104 109 A M H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.894 112.0 53.1 -63.3 -37.8 1.7 7.2 41.3 105 110 A T H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.939 111.7 46.2 -62.5 -47.2 0.3 8.0 44.8 106 111 A L H >X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 3,-0.6 0.952 115.9 42.7 -59.4 -53.5 3.3 10.2 45.5 107 112 A F H 3X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.3 3,-0.2 0.856 109.3 58.2 -72.0 -29.0 3.4 12.1 42.2 108 113 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.826 110.4 44.5 -63.1 -31.1 -0.4 12.6 42.3 109 114 A R H << S+ 0 0 123 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.661 104.8 64.9 -84.7 -17.7 -0.0 14.3 45.6 110 115 A A H < S+ 0 0 6 -4,-1.1 2,-0.3 -3,-0.2 -2,-0.2 0.767 113.8 14.8 -77.6 -28.0 2.9 16.4 44.4 111 116 A T < - 0 0 44 -4,-1.1 -1,-0.2 -3,-0.1 3,-0.1 -0.995 57.5-138.1-146.4 148.9 1.0 18.3 41.8 112 117 A D S S+ 0 0 155 -2,-0.3 2,-1.8 1,-0.2 3,-0.1 0.663 99.0 78.7 -77.7 -16.8 -2.6 19.1 40.9 113 118 A A + 0 0 55 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 -0.479 63.6 122.4 -83.6 63.8 -1.6 18.6 37.2 114 119 A N > + 0 0 38 -2,-1.8 4,-2.7 1,-0.1 3,-0.3 0.093 14.4 128.4-119.4 20.6 -1.8 14.9 37.9 115 120 A Q H > S+ 0 0 138 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.833 77.1 46.6 -56.6 -38.3 -4.3 13.5 35.4 116 121 A D H > S+ 0 0 26 2,-0.2 4,-1.8 -3,-0.2 -1,-0.3 0.899 113.5 47.9 -72.4 -37.8 -2.0 10.8 34.1 117 122 A F H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.935 116.4 43.5 -65.6 -46.3 -1.0 9.5 37.6 118 123 A V H X S+ 0 0 63 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.886 110.5 56.1 -68.4 -37.9 -4.6 9.5 38.8 119 124 A A H X S+ 0 0 45 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.883 106.3 51.1 -59.1 -39.4 -5.8 7.9 35.5 120 125 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.945 111.2 47.2 -65.7 -45.9 -3.3 5.0 36.1 121 126 A L H X S+ 0 0 6 -4,-1.9 6,-2.4 1,-0.2 4,-2.0 0.897 113.9 48.9 -60.0 -39.4 -4.6 4.5 39.7 122 127 A A H < S+ 0 0 59 -4,-2.6 4,-0.4 4,-0.2 -2,-0.2 0.910 116.7 41.0 -66.6 -42.7 -8.2 4.6 38.4 123 128 A K H < S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.891 131.2 20.2 -73.8 -40.5 -7.6 2.2 35.5 124 129 A Y H < S+ 0 0 30 -4,-2.7 -36,-0.3 -5,-0.2 -3,-0.2 0.616 128.2 38.0-111.5 -17.0 -5.4 -0.3 37.3 125 130 A Y S >< S- 0 0 45 -4,-2.0 3,-2.2 -5,-0.4 -3,-0.1 0.027 105.2-105.9-127.7 21.2 -5.9 0.0 41.1 126 131 A G T 3 S- 0 0 77 -4,-0.4 -4,-0.2 1,-0.3 -3,-0.1 0.761 76.4 -61.4 59.0 27.6 -9.6 0.7 41.4 127 132 A G T 3 S+ 0 0 51 -6,-2.4 -1,-0.3 1,-0.2 -5,-0.2 0.513 104.4 140.2 77.8 4.6 -8.9 4.4 42.1 128 133 A G < - 0 0 33 -3,-2.2 2,-0.3 -7,-0.5 -1,-0.2 -0.247 39.3-145.1 -79.4 168.0 -7.0 3.3 45.3 129 134 A E - 0 0 81 -3,-0.1 2,-0.7 -2,-0.0 -27,-0.1 -0.866 31.0 -86.7-131.4 161.4 -3.8 4.7 46.6 130 135 A D > - 0 0 26 -29,-0.5 4,-2.2 -2,-0.3 5,-0.2 -0.621 35.8-153.4 -74.3 113.5 -0.8 3.5 48.5 131 136 A R H > S+ 0 0 210 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.877 91.4 49.2 -53.4 -47.7 -1.7 3.6 52.1 132 137 A R H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 110.2 51.4 -67.8 -35.7 1.8 3.9 53.4 133 138 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.924 108.7 50.0 -65.8 -46.8 2.6 6.8 51.0 134 139 A V H X S+ 0 0 45 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.921 112.1 49.5 -58.5 -41.2 -0.5 8.8 52.0 135 140 A A H >X S+ 0 0 68 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.930 110.2 48.9 -63.6 -47.4 0.4 8.3 55.7 136 141 A L H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.752 113.5 48.6 -64.2 -26.1 4.0 9.5 55.2 137 142 A L H 3< S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.533 86.9 86.9 -90.2 -8.6 2.8 12.6 53.2 138 143 A A H << S+ 0 0 78 -3,-1.0 2,-0.5 -4,-0.7 -1,-0.2 0.903 92.0 42.5 -60.3 -43.7 0.2 13.7 55.8 139 144 A V < 0 0 115 -4,-0.5 -1,-0.1 -3,-0.2 0, 0.0 -0.914 360.0 360.0-113.8 126.9 2.6 15.7 57.8 140 145 A T 0 0 185 -2,-0.5 -1,-0.1 -84,-0.1 -2,-0.1 0.440 360.0 360.0 -62.5 360.0 5.2 18.0 56.2