==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUN-04 1TMX . COMPND 2 MOLECULE: HYDROXYQUINOL 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PIMELOBACTER SIMPLEX; . AUTHOR M.FERRARONI,V.M.TRAVKIN,J.SEIFERT,M.SCHLOMANN,L.GOLOVLEVA, . 578 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 13.0 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0 0 4 2 0 0 0 0 0 1 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 2 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 PARALLEL BRIDGES PER LADDER . 4 3 1 0 4 2 2 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 . 2 2 0 2 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 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 3 A T 0 0 161 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.7 25.3 18.9 45.7 2 4 A P - 0 0 124 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.295 360.0-130.5 -59.7 125.9 21.5 18.0 45.7 3 5 A V - 0 0 48 -2,-0.1 2,-0.0 1,-0.1 0, 0.0 -0.610 23.9-126.0 -77.1 126.8 19.6 19.6 42.8 4 6 A S > - 0 0 45 -2,-0.4 4,-2.5 383,-0.1 5,-0.2 -0.282 19.6-112.9 -70.9 162.1 16.4 21.4 44.0 5 7 A A H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.890 118.2 53.1 -63.4 -41.3 13.1 20.5 42.4 6 8 A E H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 112.0 46.0 -54.6 -47.2 12.8 23.9 40.9 7 9 A Q H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 110.9 51.1 -68.9 -40.6 16.2 23.5 39.3 8 10 A Q H X S+ 0 0 111 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.924 109.6 52.3 -59.6 -40.1 15.5 19.9 38.1 9 11 A A H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.908 107.3 51.3 -66.5 -41.1 12.3 21.3 36.5 10 12 A R H X S+ 0 0 60 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.910 112.4 45.5 -59.5 -44.8 14.1 24.0 34.6 11 13 A E H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.937 113.2 49.9 -68.6 -44.4 16.7 21.5 33.2 12 14 A Q H X S+ 0 0 79 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.891 107.6 55.2 -57.4 -40.6 13.9 19.1 32.2 13 15 A D H X S+ 0 0 63 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.893 106.9 50.7 -64.9 -36.0 12.0 21.9 30.5 14 16 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.927 106.8 51.8 -66.8 -44.8 15.0 22.7 28.4 15 17 A V H X S+ 0 0 11 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.948 110.5 51.5 -57.3 -42.3 15.5 19.1 27.3 16 18 A E H X S+ 0 0 81 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.902 106.8 52.2 -60.9 -39.4 11.8 19.2 26.3 17 19 A R H X S+ 0 0 18 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.890 111.3 47.9 -59.9 -43.2 12.3 22.4 24.3 18 20 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.923 110.1 51.3 -69.0 -39.8 15.2 20.9 22.3 19 21 A L H >< S+ 0 0 35 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.935 110.2 47.9 -65.6 -42.4 13.3 17.6 21.6 20 22 A R H >< S+ 0 0 85 -4,-2.3 3,-2.1 1,-0.2 4,-0.2 0.779 94.9 75.7 -71.3 -21.0 10.3 19.4 20.2 21 23 A S H 3< S+ 0 0 29 -4,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.796 96.9 50.0 -54.9 -26.0 12.6 21.7 18.0 22 24 A F T X< S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.6 -1,-0.3 0.404 77.2 106.4 -91.5 2.1 13.0 18.6 15.8 23 25 A D T < S+ 0 0 93 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.775 80.4 47.9 -56.4 -30.7 9.2 17.8 15.4 24 26 A A T 3 S+ 0 0 72 -3,-0.4 -1,-0.3 477,-0.3 478,-0.1 0.475 74.8 135.6 -89.8 -1.0 9.1 19.1 11.8 25 27 A T < - 0 0 10 -3,-2.1 476,-0.2 476,-0.2 6,-0.1 -0.246 48.5-147.3 -53.2 130.4 12.1 17.2 10.6 26 28 A A S S+ 0 0 97 474,-0.5 -1,-0.1 4,-0.1 475,-0.1 0.863 81.4 65.8 -73.8 -37.3 11.1 15.7 7.2 27 29 A D S > S- 0 0 88 473,-0.5 4,-2.3 1,-0.2 5,-0.2 -0.764 72.8-154.7 -91.6 118.0 13.1 12.5 7.3 28 30 A P H > S+ 0 0 101 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.816 93.4 53.1 -68.8 -27.4 11.8 10.4 10.1 29 31 A R H > S+ 0 0 60 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.929 109.6 48.8 -68.5 -45.4 15.1 8.5 10.6 30 32 A L H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 112.4 49.5 -55.9 -44.8 17.0 11.9 10.9 31 33 A K H X S+ 0 0 65 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.938 110.9 48.5 -60.3 -47.9 14.3 13.0 13.4 32 34 A Q H X S+ 0 0 104 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.934 114.0 47.1 -58.6 -44.5 14.7 9.8 15.4 33 35 A V H X S+ 0 0 18 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.923 112.6 47.7 -64.3 -46.4 18.5 10.1 15.4 34 36 A M H X S+ 0 0 18 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.851 112.1 49.2 -66.9 -36.4 18.5 13.8 16.4 35 37 A Q H X S+ 0 0 33 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.892 113.3 47.1 -68.4 -37.2 16.0 13.3 19.3 36 38 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.886 111.6 51.3 -69.6 -41.5 18.1 10.3 20.6 37 39 A L H X S+ 0 0 50 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.921 110.4 50.0 -61.0 -44.1 21.2 12.4 20.3 38 40 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.922 110.5 48.3 -56.6 -49.3 19.4 15.2 22.3 39 41 A R H X S+ 0 0 101 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 115.8 43.1 -66.8 -43.0 18.3 12.9 25.1 40 42 A H H X S+ 0 0 30 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.856 113.2 50.9 -71.6 -34.8 21.7 11.3 25.5 41 43 A L H X S+ 0 0 49 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.944 114.8 43.5 -68.3 -43.9 23.7 14.5 25.3 42 44 A H H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.844 111.6 54.1 -70.3 -32.3 21.5 16.2 27.9 43 45 A A H X S+ 0 0 39 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.914 109.9 48.2 -64.8 -39.8 21.5 13.0 30.1 44 46 A F H X S+ 0 0 22 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.955 113.5 47.0 -60.4 -53.0 25.3 13.2 30.0 45 47 A L H X>S+ 0 0 5 -4,-2.4 5,-1.4 1,-0.2 4,-1.2 0.905 115.7 44.4 -57.5 -43.5 25.3 16.9 30.8 46 48 A R H <5S+ 0 0 49 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.705 110.8 54.9 -77.9 -21.0 22.9 16.5 33.7 47 49 A E H <5S+ 0 0 78 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.933 118.7 31.1 -73.4 -47.3 24.5 13.4 35.1 48 50 A V H <5S- 0 0 1 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.1 0.593 99.1-132.1 -89.0 -11.3 28.0 15.0 35.5 49 51 A R T <5 - 0 0 66 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.979 29.5-141.1 51.3 62.3 26.8 18.5 36.1 50 52 A L < - 0 0 13 -5,-1.4 -1,-0.1 -6,-0.1 2,-0.1 -0.223 9.8-137.0 -55.7 133.5 29.2 19.9 33.6 51 53 A T > - 0 0 50 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.451 21.3-111.7 -84.6 164.3 30.8 23.2 34.6 52 54 A E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.888 120.3 52.7 -61.0 -35.3 31.3 26.2 32.3 53 55 A A H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 110.0 48.7 -68.2 -36.8 35.1 25.7 32.4 54 56 A E H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.881 109.0 52.2 -67.3 -41.4 34.6 22.0 31.4 55 57 A W H X S+ 0 0 48 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.930 109.0 51.1 -56.9 -45.0 32.3 23.0 28.6 56 58 A E H X S+ 0 0 125 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.909 108.4 52.2 -59.1 -44.2 35.0 25.4 27.4 57 59 A T H X S+ 0 0 101 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.941 111.5 45.6 -56.8 -48.4 37.5 22.5 27.6 58 60 A G H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.903 112.6 50.1 -65.4 -39.6 35.2 20.3 25.4 59 61 A I H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.949 112.6 47.8 -62.3 -45.4 34.6 23.1 22.9 60 62 A G H X S+ 0 0 26 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.892 109.6 53.7 -62.2 -41.2 38.3 23.7 22.7 61 63 A F H X S+ 0 0 48 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.961 111.9 43.2 -56.9 -52.7 39.0 20.0 22.2 62 64 A L H X S+ 0 0 51 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.905 114.8 50.6 -60.0 -42.8 36.5 19.8 19.3 63 65 A T H X S+ 0 0 18 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.901 110.9 48.4 -63.1 -44.6 37.9 23.0 17.8 64 66 A D H X S+ 0 0 87 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.912 109.9 52.4 -64.7 -41.7 41.5 21.8 18.1 65 67 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.2 10,-0.4 0.888 108.6 52.5 -59.7 -33.9 40.4 18.5 16.5 66 68 A G H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.910 107.8 49.5 -68.9 -38.9 38.9 20.6 13.7 67 69 A H H < S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.3 46.6 -72.1 -31.0 42.0 22.5 13.0 68 70 A V H < S+ 0 0 51 -4,-1.9 2,-0.4 -5,-0.1 -1,-0.2 0.679 89.7 101.5 -85.6 -14.3 44.3 19.5 12.8 69 71 A T < + 0 0 5 -4,-1.2 5,-0.2 -5,-0.2 2,-0.2 -0.562 46.4 135.0 -76.6 130.2 41.9 17.5 10.5 70 72 A N - 0 0 98 3,-2.5 -2,-0.1 -2,-0.4 -1,-0.0 -0.584 66.3 -42.4-148.1-157.5 43.0 17.5 6.8 71 73 A E S S+ 0 0 85 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 0.850 134.9 8.0 -53.9 -48.0 43.3 15.2 3.8 72 74 A R S S+ 0 0 91 1,-0.1 2,-0.4 92,-0.0 -1,-0.1 0.838 116.1 74.9 -98.8 -48.3 44.9 12.3 5.6 73 75 A R + 0 0 49 -5,-0.2 -3,-2.5 1,-0.1 2,-0.5 -0.544 53.7 179.2 -74.0 123.5 44.7 13.2 9.4 74 76 A Q > + 0 0 34 -2,-0.4 4,-1.8 -5,-0.2 5,-0.1 -0.838 6.7 175.5-130.9 92.2 41.1 12.8 10.7 75 77 A E H > S+ 0 0 0 -2,-0.5 4,-1.9 -10,-0.4 -1,-0.1 0.788 79.3 56.8 -72.8 -28.7 41.1 13.6 14.3 76 78 A F H > S+ 0 0 4 -11,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 108.0 48.6 -68.3 -41.0 37.3 13.2 14.7 77 79 A I H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.908 109.8 52.2 -65.3 -36.8 37.6 9.7 13.4 78 80 A L H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.866 107.8 51.8 -66.1 -32.4 40.4 9.0 15.9 79 81 A L H X S+ 0 0 31 -4,-1.9 4,-1.6 2,-0.2 6,-0.3 0.954 109.8 48.9 -68.1 -47.0 38.2 10.3 18.7 80 82 A S H <>S+ 0 0 11 -4,-2.4 5,-1.5 1,-0.2 6,-1.4 0.923 112.0 51.6 -54.1 -40.7 35.5 7.9 17.5 81 83 A D H ><5S+ 0 0 11 -4,-2.7 3,-1.4 1,-0.2 6,-0.3 0.941 110.3 44.3 -60.7 -51.0 38.2 5.2 17.5 82 84 A V H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.677 111.0 55.1 -75.6 -16.3 39.5 5.7 21.0 83 85 A L T 3<5S- 0 0 7 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.386 113.5-117.2 -94.0 3.6 36.1 5.9 22.4 84 86 A G T <>5S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.3 -3,-0.2 0.476 83.0 120.6 78.3 0.7 35.1 2.6 21.0 85 87 A A H > S+ 0 0 7 -6,-1.4 4,-2.5 2,-0.2 5,-0.2 0.964 112.1 44.0 -69.2 -51.9 34.0 3.0 15.6 87 89 A M H > S+ 0 0 6 162,-0.3 4,-3.0 -7,-0.3 -2,-0.2 0.899 113.9 52.5 -59.2 -37.9 34.2 -0.6 16.7 88 90 A Q H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.908 109.4 48.0 -65.1 -38.6 30.6 -0.3 18.0 89 91 A T H X S+ 0 0 3 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.912 113.6 47.8 -73.7 -38.2 29.3 1.0 14.7 90 92 A I H X S+ 0 0 21 -4,-2.5 4,-1.3 -5,-0.2 3,-0.4 0.945 111.1 52.3 -62.2 -43.5 31.2 -1.8 12.9 91 93 A A H < S+ 0 0 11 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.913 109.3 47.6 -61.5 -43.5 29.8 -4.4 15.4 92 94 A M H < S+ 0 0 23 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.747 120.2 38.4 -68.1 -26.4 26.1 -3.3 14.9 93 95 A N H < S+ 0 0 54 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.506 117.1 47.7-104.5 -4.2 26.3 -3.3 11.1 94 96 A N < + 0 0 10 -4,-1.3 9,-0.4 -3,-0.4 -1,-0.2 -0.231 63.8 167.0-134.4 39.9 28.5 -6.4 10.6 95 97 A E - 0 0 53 -3,-0.3 2,-0.7 1,-0.1 -3,-0.1 -0.419 35.1-133.5 -57.9 126.2 27.1 -9.1 12.7 96 98 A A - 0 0 20 -2,-0.1 2,-0.4 7,-0.1 -1,-0.1 -0.745 21.2-162.7 -93.5 119.2 28.9 -12.2 11.3 97 99 A H > - 0 0 123 -2,-0.7 3,-1.8 4,-0.1 2,-0.3 -0.827 55.2 -22.0-101.6 145.4 26.7 -15.2 10.7 98 100 A G T 3 S- 0 0 79 -2,-0.4 -2,-0.1 1,-0.3 191,-0.0 -0.422 129.7 -19.0 64.6-125.2 27.9 -18.7 10.2 99 101 A D T 3 S+ 0 0 131 -2,-0.3 -1,-0.3 42,-0.2 188,-0.2 0.348 92.9 140.5 -92.7 5.1 31.5 -18.8 9.2 100 102 A A < - 0 0 9 -3,-1.8 188,-0.2 1,-0.1 2,-0.2 -0.215 59.0-109.9 -59.8 135.9 31.7 -15.2 8.0 101 103 A T - 0 0 16 186,-2.3 188,-0.2 1,-0.1 -1,-0.1 -0.461 36.9-110.7 -60.2 136.5 35.0 -13.5 8.9 102 104 A E - 0 0 37 -2,-0.2 2,-0.2 -6,-0.1 -1,-0.1 -0.361 28.0-135.1 -67.7 143.3 34.6 -10.7 11.5 103 105 A A + 0 0 5 -9,-0.4 131,-0.3 131,-0.1 2,-0.2 -0.524 26.2 171.9 -94.7 161.8 35.1 -7.1 10.5 104 106 A T - 0 0 2 129,-2.4 147,-0.1 -2,-0.2 148,-0.1 -0.860 40.4 -35.1-153.7-171.0 37.0 -4.5 12.4 105 107 A V - 0 0 4 -2,-0.2 -1,-0.1 1,-0.1 -18,-0.0 -0.141 36.2-155.4 -59.8 147.9 38.3 -0.9 12.2 106 108 A F - 0 0 86 127,-0.1 3,-0.3 1,-0.1 -1,-0.1 0.881 25.4-164.9 -83.0 -50.8 39.5 0.6 8.9 107 109 A G - 0 0 20 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 -0.181 35.9 -79.5 76.5-178.6 41.9 3.3 10.1 108 110 A P S S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -30,-0.0 0.360 105.5 82.5 -98.9 0.9 43.2 6.2 8.0 109 111 A F + 0 0 14 -3,-0.3 2,-0.3 2,-0.1 55,-0.2 0.192 55.1 115.6-107.0 19.5 46.0 4.5 6.0 110 112 A F - 0 0 25 -3,-0.3 2,-0.4 44,-0.1 44,-0.0 -0.655 47.1-163.6 -80.3 136.1 44.1 2.9 3.2 111 113 A V > - 0 0 31 -2,-0.3 3,-0.7 0, 0.0 2,-0.2 -0.989 16.0-129.1-125.1 133.3 45.1 4.3 -0.2 112 114 A E T 3 S+ 0 0 175 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.539 91.0 40.2 -75.0 144.2 43.2 4.0 -3.4 113 115 A G T 3 S+ 0 0 70 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.700 74.1 176.8 91.4 21.3 45.4 2.8 -6.3 114 116 A S < - 0 0 8 -3,-0.7 -1,-0.2 61,-0.1 61,-0.1 -0.181 40.0 -93.7 -54.0 150.3 47.5 0.2 -4.6 115 117 A P - 0 0 51 0, 0.0 61,-1.9 0, 0.0 2,-0.5 -0.337 39.1-118.3 -64.8 152.5 49.9 -1.7 -6.8 116 118 A R B -a 176 0A 124 59,-0.2 2,-0.3 -3,-0.1 61,-0.2 -0.796 34.3-178.9 -97.3 128.0 48.7 -5.0 -8.3 117 119 A I - 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0 0 71 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.974 31.7-140.8 53.3 57.8 21.6 1.2 15.8 341 52 B L < - 0 0 12 -5,-1.5 -1,-0.1 -6,-0.2 2,-0.1 -0.207 11.2-134.5 -51.3 132.6 23.6 3.8 14.0 342 53 B T > - 0 0 47 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.404 20.6-111.3 -84.2 165.0 24.6 2.7 10.4 343 54 B E H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.907 120.0 54.4 -62.7 -39.7 28.0 3.1 8.9 344 55 B A H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 109.7 45.8 -55.0 -48.8 26.6 5.7 6.5 345 56 B E H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.881 109.1 55.3 -61.9 -41.7 25.1 7.8 9.4 346 57 B W H X S+ 0 0 51 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.970 108.9 48.7 -58.0 -45.2 28.4 7.5 11.2 347 58 B E H X S+ 0 0 128 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.897 109.6 51.7 -60.1 -42.6 30.1 9.0 8.1 348 59 B T H X S+ 0 0 79 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.901 110.1 49.3 -61.8 -40.9 27.6 11.8 7.9 349 60 B G H X S+ 0 0 36 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.901 112.2 47.0 -67.8 -41.0 28.2 12.7 11.6 350 61 B I H X S+ 0 0 18 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.933 111.8 51.2 -63.2 -48.4 31.9 12.7 11.2 351 62 B G H X S+ 0 0 27 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.874 108.7 53.2 -54.4 -39.9 31.6 14.8 8.0 352 63 B F H X S+ 0 0 30 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.933 110.2 44.6 -59.3 -49.0 29.4 17.2 9.9 353 64 B L H X S+ 0 0 52 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.880 114.0 52.4 -61.3 -39.4 32.0 17.7 12.7 354 65 B T H X S+ 0 0 16 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.917 109.1 47.9 -66.0 -43.7 34.7 18.0 10.1 355 66 B D H >< S+ 0 0 80 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.875 112.3 49.8 -65.0 -37.7 32.8 20.7 8.2 356 67 B A H >X S+ 0 0 2 -4,-2.0 3,-1.4 1,-0.2 4,-0.7 0.888 106.8 55.8 -66.5 -40.4 32.2 22.6 11.5 357 68 B G H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.708 105.4 52.5 -63.7 -19.7 35.9 22.3 12.3 358 69 B H T << S+ 0 0 110 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.312 89.5 76.6-104.9 6.0 36.7 24.0 9.0 359 70 B V T <4 S- 0 0 50 -3,-1.4 -2,-0.2 -4,-0.1 -1,-0.2 0.873 85.9-167.8 -77.8 -49.2 34.4 27.0 9.7 360 71 B T < - 0 0 37 -4,-0.7 4,-0.2 3,-0.1 5,-0.1 0.951 12.2 -79.8 71.3 113.8 37.0 28.4 12.1 361 72 B N + 0 0 53 2,-0.1 4,-0.2 1,-0.0 -1,-0.0 0.333 68.8 106.3 -65.1 161.2 36.9 31.3 14.7 362 73 B E S S- 0 0 77 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.258 123.0 -27.3 137.6 62.8 37.2 35.1 14.9 363 74 B R S S+ 0 0 134 1,-0.0 2,-1.0 36,-0.0 -2,-0.1 -0.372 133.0 89.4 84.3 -42.4 33.5 35.8 15.6 364 75 B R + 0 0 45 -4,-0.2 2,-0.6 -5,-0.1 -1,-0.0 -0.708 47.4 160.1 -84.6 97.1 32.7 32.5 13.7 365 76 B Q > + 0 0 54 -2,-1.0 4,-2.2 -4,-0.2 3,-0.2 -0.802 11.3 178.2-118.7 93.5 32.6 29.6 16.2 366 77 B E H > S+ 0 0 8 -2,-0.6 4,-2.4 -10,-0.3 -1,-0.1 0.766 78.9 54.1 -68.8 -31.4 30.7 26.7 14.7 367 78 B F H > S+ 0 0 5 2,-0.2 4,-2.5 -11,-0.2 -1,-0.2 0.869 110.8 47.8 -71.1 -34.2 31.2 24.2 17.6 368 79 B I H > S+ 0 0 54 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.928 112.2 49.1 -65.3 -43.7 29.8 26.8 20.0 369 80 B L H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.905 111.0 50.6 -63.7 -34.2 26.9 27.4 17.6 370 81 B L H X S+ 0 0 23 -4,-2.4 4,-1.4 1,-0.2 6,-0.3 0.933 110.2 49.1 -67.5 -43.8 26.4 23.6 17.4 371 82 B S H <>S+ 0 0 12 -4,-2.5 6,-1.4 1,-0.2 5,-1.3 0.898 112.3 51.2 -58.1 -37.5 26.4 23.5 21.2 372 83 B D H ><5S+ 0 0 17 -4,-2.5 3,-1.7 1,-0.2 6,-0.3 0.957 110.2 45.1 -65.8 -52.0 23.9 26.3 21.1 373 84 B V H 3<5S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.649 112.8 52.1 -74.7 -12.8 21.4 24.8 18.7 374 85 B L T 3<5S- 0 0 14 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.366 113.2-119.8 -93.6 -1.4 21.6 21.4 20.5 375 86 B G T <>5S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -3,-0.2 0.436 81.5 120.7 79.6 -0.5 20.8 23.2 23.8 376 87 B A H > S+ 0 0 5 -6,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.953 112.4 43.5 -64.6 -49.2 25.1 25.7 25.9 378 89 B M H > S+ 0 0 2 -7,-0.3 4,-2.6 -6,-0.3 -1,-0.2 0.827 111.3 55.1 -70.0 -30.5 21.9 26.7 27.7 379 90 B Q H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.903 108.0 49.0 -64.3 -40.5 21.9 23.5 29.7 380 91 B T H X S+ 0 0 3 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.907 111.3 50.6 -63.8 -40.4 25.5 24.3 31.0 381 92 B I H >X S+ 0 0 19 -4,-2.1 3,-0.8 1,-0.2 4,-0.7 0.964 110.3 49.3 -62.0 -51.2 24.2 27.8 31.9 382 93 B A H >< S+ 0 0 15 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.922 110.0 48.7 -55.9 -46.2 21.3 26.5 33.8 383 94 B M H 3< S+ 0 0 11 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.742 116.3 44.2 -68.5 -23.1 23.2 24.0 35.8 384 95 B N H << S+ 0 0 54 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.333 115.8 46.6-103.7 6.5 25.8 26.7 36.7 385 96 B N S << S- 0 0 22 -3,-1.2 9,-0.3 -4,-0.7 -1,-0.2 -0.585 88.1-172.9-139.6 62.8 23.2 29.4 37.5 386 97 B E - 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