==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-AUG-10 3ON2 . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR Y.FAN,E.EVDOKIMOVA,O.EGOROVA,A.SAVCHENKO,A.JOACHIMIAK,A.EDWA . 774 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 75.2 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 . 8 1.0 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 . 3 0.4 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 . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 488 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 3 0 0 0 1 3 0 0 0 7 1 4 0 4 0 0 4 0 0 4 0 0 0 0 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 . 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 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 4 A A 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.5 35.3 -5.2 -83.5 2 5 A E - 0 0 161 3,-0.0 4,-0.1 2,-0.0 0, 0.0 0.953 360.0-176.1 -58.0 -54.0 31.6 -4.3 -83.6 3 6 A Q > - 0 0 110 1,-0.1 3,-1.7 2,-0.1 0, 0.0 0.940 8.6-166.5 52.1 68.2 31.2 -5.9 -80.2 4 7 A P T 3 S+ 0 0 73 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.555 80.9 43.0 -62.1 -14.1 27.3 -5.4 -79.8 5 8 A Y T 3 S+ 0 0 208 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.068 96.9 72.8-124.6 22.0 27.3 -6.2 -76.0 6 9 A H < + 0 0 161 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.1 -0.090 69.0 120.3-123.9 34.5 30.3 -4.2 -74.7 7 10 A H - 0 0 131 -3,-0.2 2,-0.1 1,-0.0 3,-0.1 -0.847 53.2-143.3-100.9 132.8 28.8 -0.7 -75.1 8 11 A G - 0 0 56 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.387 46.6 -78.9 -72.0 167.1 28.3 1.8 -72.2 9 12 A S > - 0 0 70 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.463 33.8-127.8 -69.1 143.9 25.2 4.0 -72.4 10 13 A L H > S+ 0 0 61 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.889 109.3 56.7 -54.9 -41.1 25.4 6.9 -74.8 11 14 A R H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 111.4 40.1 -57.1 -51.7 24.3 9.2 -72.0 12 15 A R H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 116.8 48.8 -66.5 -44.5 27.2 8.2 -69.7 13 16 A V H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.934 113.8 46.7 -62.3 -47.8 29.8 8.0 -72.4 14 17 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.884 111.2 51.6 -63.0 -39.4 28.8 11.5 -73.7 15 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.881 109.9 48.9 -65.8 -39.5 28.7 13.0 -70.3 16 19 A A H X S+ 0 0 52 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 115.1 44.6 -65.7 -44.4 32.3 11.7 -69.4 17 20 A R H X S+ 0 0 98 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.915 112.2 52.6 -61.4 -45.0 33.6 13.1 -72.7 18 21 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.894 108.6 50.1 -59.9 -41.7 31.8 16.4 -72.3 19 22 A E H X S+ 0 0 30 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.911 109.1 52.1 -65.1 -41.0 33.2 16.9 -68.9 20 23 A S H X S+ 0 0 80 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.922 113.8 42.8 -61.6 -45.0 36.8 16.2 -70.2 21 24 A T H X>S+ 0 0 27 -4,-2.4 4,-3.7 2,-0.2 5,-0.7 0.889 110.7 56.9 -65.5 -40.3 36.3 18.8 -73.0 22 25 A L H X5S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.934 109.1 45.5 -55.0 -48.6 34.7 21.3 -70.5 23 26 A E H <5S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 121.4 38.4 -70.9 -31.9 37.8 21.1 -68.3 24 27 A K H <5S+ 0 0 178 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.924 135.3 13.7 -78.0 -48.5 40.2 21.5 -71.2 25 28 A D H <5S- 0 0 115 -4,-3.7 -3,-0.2 1,-0.2 3,-0.2 0.497 100.5-119.1-113.2 -9.2 38.4 24.0 -73.5 26 29 A G ><< - 0 0 10 -4,-2.1 3,-1.6 -5,-0.7 -1,-0.2 -0.088 46.7 -58.8 85.0 168.1 35.6 25.6 -71.4 27 30 A V G > S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.816 133.1 59.1 -57.6 -32.4 31.8 25.6 -72.0 28 31 A D G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.689 97.6 61.4 -73.9 -16.8 32.2 27.2 -75.5 29 32 A G G < S+ 0 0 24 -3,-1.6 2,-0.6 -4,-0.1 -1,-0.3 0.414 84.6 105.9 -81.9 0.6 34.4 24.3 -76.5 30 33 A L < + 0 0 7 -3,-1.5 2,-0.4 -4,-0.2 3,-0.1 -0.733 41.0 167.0 -88.2 122.8 31.4 22.0 -75.9 31 34 A S > - 0 0 22 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.980 27.6-158.5-133.6 124.5 29.5 20.6 -78.9 32 35 A L H > S+ 0 0 9 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.932 98.9 52.1 -63.1 -42.8 27.0 17.8 -78.7 33 36 A R H > S+ 0 0 173 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 112.2 44.8 -60.9 -44.8 27.5 17.1 -82.4 34 37 A Q H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 112.3 51.3 -64.6 -41.3 31.3 16.9 -82.0 35 38 A L H X S+ 0 0 3 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.907 108.1 52.9 -65.4 -39.6 31.0 14.7 -78.8 36 39 A A H < S+ 0 0 16 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.873 111.8 44.2 -61.6 -39.9 28.7 12.3 -80.6 37 40 A R H >< S+ 0 0 158 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.885 110.4 55.6 -74.2 -38.3 31.1 11.8 -83.5 38 41 A E H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 103.6 55.5 -60.0 -30.2 34.1 11.5 -81.1 39 42 A A T 3< 0 0 30 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.197 360.0 360.0 -90.3 14.4 32.2 8.7 -79.4 40 43 A G < 0 0 106 -3,-1.6 -3,-0.1 -5,-0.1 -2,-0.1 0.191 360.0 360.0 56.6 360.0 31.9 6.8 -82.7 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 49 A P 0 0 173 0, 0.0 -6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.9 22.8 8.3 -85.4 43 50 A S - 0 0 87 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.250 360.0-176.7 -66.3 138.0 21.6 9.0 -81.8 44 51 A K - 0 0 54 2,-0.2 2,-2.6 1,-0.1 -1,-0.1 0.221 36.2-139.4-103.2 4.3 23.4 11.6 -79.7 45 52 A H S S+ 0 0 95 2,-0.1 2,-0.1 -31,-0.0 -34,-0.1 -0.394 76.7 86.1 62.7 -63.1 21.0 10.6 -76.8 46 53 A F S S- 0 0 12 -2,-2.6 -2,-0.2 1,-0.1 3,-0.1 -0.393 78.8-135.2 -69.1 141.2 20.5 14.2 -75.7 47 54 A R S S- 0 0 228 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.849 79.3 -23.8 -64.4 -38.0 17.7 16.1 -77.4 48 55 A D S > S- 0 0 79 -4,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.946 77.1 -79.6-162.6 176.7 19.9 19.2 -77.8 49 56 A R H > S+ 0 0 93 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.871 123.9 57.2 -55.3 -44.6 22.9 21.0 -76.4 50 57 A Q H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 102.7 54.1 -59.6 -35.8 20.9 22.5 -73.5 51 58 A A H > S+ 0 0 30 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.911 109.5 49.4 -65.1 -39.8 19.8 19.0 -72.3 52 59 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.931 112.3 46.4 -59.0 -47.1 23.6 18.0 -72.2 53 60 A L H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.892 111.4 51.4 -66.5 -40.2 24.5 21.1 -70.2 54 61 A D H X S+ 0 0 23 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.886 110.5 50.2 -60.8 -42.3 21.6 20.6 -67.8 55 62 A A H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.893 111.5 47.3 -63.5 -43.4 22.8 17.0 -67.3 56 63 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.922 114.1 47.5 -62.2 -45.5 26.4 18.1 -66.6 57 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.920 113.5 47.2 -62.6 -47.5 25.2 20.7 -64.2 58 65 A E H X S+ 0 0 47 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.943 112.8 49.2 -59.7 -47.7 22.8 18.3 -62.4 59 66 A S H X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.843 107.8 56.1 -59.0 -39.0 25.6 15.6 -62.2 60 67 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.918 109.9 43.6 -59.9 -47.6 28.0 18.3 -60.8 61 68 A F H X S+ 0 0 5 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.929 111.7 53.6 -64.7 -43.7 25.7 19.1 -57.9 62 69 A L H X S+ 0 0 98 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.924 112.7 45.1 -56.4 -43.6 24.9 15.5 -57.2 63 70 A R H X S+ 0 0 71 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.838 110.7 52.9 -70.1 -35.4 28.7 14.8 -57.0 64 71 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 110.4 47.9 -65.5 -45.2 29.3 17.9 -54.8 65 72 A T H X S+ 0 0 14 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.943 110.7 52.0 -57.8 -48.1 26.6 16.7 -52.4 66 73 A A H X S+ 0 0 29 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.919 110.0 49.7 -52.2 -45.4 28.2 13.2 -52.4 67 74 A A H X S+ 0 0 17 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.878 110.7 48.2 -64.6 -42.1 31.6 14.8 -51.6 68 75 A L H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.924 110.8 51.5 -64.6 -44.0 30.2 16.9 -48.7 69 76 A E H X S+ 0 0 95 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.899 110.4 48.9 -60.9 -40.4 28.4 13.8 -47.3 70 77 A R H X S+ 0 0 161 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.891 107.7 54.8 -64.0 -39.2 31.7 11.8 -47.4 71 78 A A H X S+ 0 0 11 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.920 109.6 47.1 -59.9 -45.1 33.5 14.6 -45.7 72 79 A V H < S+ 0 0 21 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.955 112.5 49.4 -60.4 -50.5 31.0 14.4 -42.9 73 80 A E H < S+ 0 0 169 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.835 110.6 50.8 -55.1 -39.4 31.3 10.6 -42.6 74 81 A E H < S+ 0 0 173 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.843 103.5 74.2 -66.9 -35.3 35.1 10.8 -42.6 75 82 A A S < S- 0 0 24 -4,-1.4 7,-0.1 -3,-0.4 6,-0.0 -0.324 94.5 -84.4 -85.0 159.5 35.2 13.4 -39.7 76 83 A E - 0 0 132 1,-0.1 2,-1.3 -2,-0.1 -1,-0.2 -0.153 45.1-107.2 -51.0 152.5 34.5 13.1 -36.0 77 84 A S S S+ 0 0 62 4,-0.1 2,-0.3 -4,-0.0 -1,-0.1 -0.510 86.3 97.4 -88.6 60.1 30.9 13.3 -34.9 78 85 A H S > S- 0 0 82 -2,-1.3 4,-1.9 1,-0.1 3,-0.4 -0.974 79.5-117.5-144.1 150.0 31.1 16.8 -33.4 79 86 A A H > S+ 0 0 9 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.856 109.4 54.8 -55.8 -45.4 30.1 20.1 -35.0 80 87 A R H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 112.1 45.4 -58.7 -42.0 33.5 21.8 -35.0 81 88 A A H > S+ 0 0 18 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.867 113.1 50.0 -64.9 -40.7 35.0 18.8 -36.9 82 89 A R H X S+ 0 0 56 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.882 109.7 50.1 -67.3 -42.3 32.1 18.7 -39.4 83 90 A F H X S+ 0 0 24 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.937 113.6 46.6 -60.7 -48.0 32.2 22.4 -40.1 84 91 A A H X S+ 0 0 46 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.904 113.3 48.7 -59.3 -44.4 36.0 22.1 -40.8 85 92 A A H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.891 110.0 50.8 -66.0 -41.2 35.5 19.0 -42.9 86 93 A L H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.895 110.7 49.6 -62.0 -42.3 32.8 20.5 -45.1 87 94 A A H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.950 112.5 45.6 -62.9 -52.5 34.8 23.6 -45.7 88 95 A G H X S+ 0 0 26 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.887 113.9 50.3 -57.1 -43.1 37.9 21.7 -46.8 89 96 A A H X S+ 0 0 22 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.862 109.4 51.2 -64.6 -39.6 35.9 19.4 -49.0 90 97 A Y H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.945 111.6 45.6 -60.9 -50.2 34.1 22.3 -50.7 91 98 A V H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.933 113.1 50.5 -62.9 -43.9 37.3 24.1 -51.6 92 99 A S H X S+ 0 0 82 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.891 111.2 48.9 -58.9 -42.1 39.0 20.9 -52.8 93 100 A F H X S+ 0 0 17 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.928 111.1 49.6 -60.0 -49.8 35.9 20.1 -55.0 94 101 A A H < S+ 0 0 4 -4,-2.5 3,-0.3 1,-0.2 7,-0.2 0.897 113.4 45.4 -56.6 -44.6 35.9 23.6 -56.5 95 102 A L H < S+ 0 0 40 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.814 114.3 48.5 -77.4 -25.9 39.6 23.5 -57.3 96 103 A A H < S+ 0 0 65 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.648 123.0 32.2 -81.3 -17.1 39.4 20.0 -58.8 97 104 A H S X S+ 0 0 47 -4,-1.3 4,-2.9 -3,-0.3 -1,-0.2 -0.390 71.4 150.5-138.3 56.3 36.4 20.9 -61.0 98 105 A R H > S+ 0 0 125 -3,-0.5 4,-2.0 1,-0.2 5,-0.1 0.902 76.3 38.9 -63.7 -49.5 36.8 24.6 -61.9 99 106 A E H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 117.3 51.4 -69.8 -36.4 35.0 24.6 -65.3 100 107 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.941 109.7 50.0 -65.1 -42.9 32.3 22.2 -64.1 101 108 A L H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.923 109.1 51.0 -63.0 -44.4 31.6 24.3 -61.0 102 109 A A H X S+ 0 0 60 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.919 113.2 47.0 -53.8 -45.3 31.3 27.5 -63.2 103 110 A L H X S+ 0 0 18 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.926 109.2 54.3 -62.8 -46.2 28.8 25.6 -65.4 104 111 A X H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.939 115.6 37.7 -51.9 -54.5 26.9 24.3 -62.3 105 112 A Y H X S+ 0 0 43 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.863 117.5 49.7 -69.7 -38.3 26.4 27.8 -60.9 106 113 A G H < S+ 0 0 50 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.870 116.0 43.2 -67.0 -38.2 25.8 29.6 -64.3 107 114 A N H >< S+ 0 0 13 -4,-2.8 3,-1.7 -5,-0.2 -2,-0.2 0.947 109.9 55.2 -74.8 -49.8 23.2 27.0 -65.3 108 115 A K H 3< S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.785 115.9 37.8 -53.6 -36.5 21.4 26.8 -62.0 109 116 A H T 3< S+ 0 0 137 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.208 88.7 115.0-107.3 15.7 20.8 30.6 -62.0 110 117 A A S X S- 0 0 44 -3,-1.7 3,-1.7 1,-0.1 -3,-0.0 -0.549 83.7 -84.4 -77.1 149.7 20.1 31.2 -65.7 111 118 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.333 118.0 11.9 -47.1 127.5 16.6 32.3 -66.7 112 119 A G T 3 S- 0 0 85 1,-0.2 3,-0.1 -3,-0.1 -3,-0.1 0.700 87.7-175.9 74.5 22.8 14.4 29.2 -67.0 113 120 A A < - 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0 0 67 1,-0.1 -5,-0.1 -5,-0.1 3,-0.1 -0.229 38.4-173.0 -62.5 138.9 41.1 57.1 -24.5 240 51 B K - 0 0 55 2,-0.2 2,-3.1 1,-0.1 -1,-0.1 0.202 34.0-140.2-104.5 8.5 39.3 54.4 -22.4 241 52 B H S S+ 0 0 95 2,-0.1 2,-0.2 -35,-0.0 -1,-0.1 -0.320 76.2 87.3 62.5 -62.6 41.6 55.4 -19.5 242 53 B F S S- 0 0 16 -2,-3.1 -2,-0.2 1,-0.1 3,-0.1 -0.457 78.2-136.1 -68.8 133.9 42.0 51.8 -18.4 243 54 B R S S- 0 0 225 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.851 79.2 -31.2 -51.6 -41.6 44.9 49.8 -20.0 244 55 B D S > S- 0 0 70 1,-0.1 4,-1.5 -4,-0.1 3,-0.5 -0.956 75.7 -73.6-167.2 178.7 42.5 46.8 -20.4 245 56 B R H > S+ 0 0 91 -2,-0.3 4,-2.5 1,-0.2 3,-0.3 0.898 124.0 56.2 -55.5 -46.5 39.5 45.0 -19.0 246 57 B Q H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.857 104.0 53.8 -59.3 -32.7 41.5 43.5 -16.1 247 58 B A H > S+ 0 0 31 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.869 110.1 48.3 -69.9 -33.2 42.5 47.0 -15.0 248 59 B L H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.932 111.8 48.1 -67.0 -46.4 38.9 47.9 -14.9 249 60 B L H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.882 111.8 50.7 -63.5 -40.5 37.9 44.8 -12.9 250 61 B D H X S+ 0 0 24 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.873 110.3 48.5 -63.1 -40.7 40.7 45.4 -10.4 251 62 B A H X S+ 0 0 7 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.872 112.1 50.0 -71.0 -33.0 39.7 49.1 -9.9 252 63 B L H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.886 112.8 45.8 -69.3 -39.9 36.1 48.0 -9.4 253 64 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.930 114.5 49.0 -68.5 -44.5 37.1 45.3 -6.8 254 65 B E H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.915 110.1 50.4 -62.4 -44.6 39.5 47.8 -5.1 255 66 B S H X S+ 0 0 35 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.887 108.1 54.8 -57.9 -41.6 36.7 50.4 -4.9 256 67 B G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.892 108.2 47.0 -61.3 -43.8 34.3 47.8 -3.4 257 68 B F H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.913 111.2 51.5 -68.0 -39.8 36.7 46.9 -0.5 258 69 B L H X S+ 0 0 97 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.927 112.4 46.9 -60.7 -42.8 37.3 50.6 0.2 259 70 B R H X S+ 0 0 80 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.880 111.0 51.1 -68.1 -38.3 33.5 51.2 0.4 260 71 B L H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.932 110.6 48.9 -62.8 -46.2 33.0 48.1 2.6 261 72 B T H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.938 111.3 50.6 -59.4 -43.1 35.7 49.3 5.0 262 73 B A H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.917 110.3 49.1 -60.4 -42.6 34.0 52.7 5.0 263 74 B A H X S+ 0 0 33 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.871 112.0 48.8 -64.3 -39.9 30.6 51.2 5.7 264 75 B L H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.921 110.5 50.8 -65.2 -45.3 32.0 49.1 8.6 265 76 B E H X S+ 0 0 94 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.900 110.6 49.1 -57.0 -43.0 33.8 52.2 10.1 266 77 B R H X S+ 0 0 176 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.830 107.8 54.2 -69.9 -32.3 30.5 54.2 10.0 267 78 B A H X S+ 0 0 11 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.909 109.7 47.9 -63.0 -43.7 28.6 51.3 11.7 268 79 B V H < S+ 0 0 24 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.922 111.8 50.0 -63.1 -43.8 31.2 51.4 14.5 269 80 B E H < S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 109.5 52.0 -61.4 -36.0 30.9 55.2 14.8 270 81 B E H < S+ 0 0 169 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.818 100.7 75.9 -70.8 -33.1 27.1 55.0 14.9 271 82 B A S < S- 0 0 23 -4,-1.4 7,-0.1 -3,-0.3 6,-0.0 -0.337 96.7 -81.7 -85.0 159.9 27.0 52.5 17.8 272 83 B E - 0 0 134 1,-0.1 2,-1.2 -2,-0.1 -1,-0.2 -0.202 52.7-107.7 -48.7 149.9 27.6 52.7 21.5 273 84 B S S S+ 0 0 108 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.311 86.2 94.5 -91.2 46.5 31.3 52.7 22.2 274 85 B H S > S- 0 0 80 -2,-1.2 4,-2.3 1,-0.1 3,-0.3 -0.976 81.9-109.2-137.5 155.7 31.5 49.2 23.7 275 86 B A H > S+ 0 0 7 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.827 111.6 52.0 -51.5 -51.3 32.2 45.8 22.2 276 87 B R H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 114.8 44.4 -57.8 -44.9 28.8 44.1 22.3 277 88 B A H > S+ 0 0 22 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.894 115.1 48.3 -62.1 -43.7 27.2 47.1 20.5 278 89 B R H X S+ 0 0 56 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.887 109.0 53.2 -65.8 -41.8 30.1 47.3 18.0 279 90 B F H X S+ 0 0 24 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.912 112.1 45.4 -58.3 -44.9 30.0 43.6 17.2 280 91 B A H X S+ 0 0 48 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.882 113.1 50.1 -66.2 -41.9 26.2 43.8 16.5 281 92 B A H X S+ 0 0 21 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.879 109.3 51.2 -66.7 -38.2 26.6 46.9 14.4 282 93 B L H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.920 110.8 47.8 -64.6 -44.3 29.4 45.4 12.3 283 94 B A H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.949 113.6 47.3 -63.6 -49.6 27.4 42.2 11.5 284 95 B G H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.906 113.8 47.7 -57.5 -45.1 24.4 44.2 10.5 285 96 B A H X S+ 0 0 21 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.871 110.6 51.7 -66.2 -42.6 26.4 46.5 8.3 286 97 B Y H X S+ 0 0 17 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.954 112.0 45.4 -55.3 -53.9 28.2 43.7 6.6 287 98 B V H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.915 112.9 51.0 -58.6 -43.6 25.0 41.9 5.7 288 99 B S H X S+ 0 0 83 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.899 111.6 47.8 -62.2 -41.7 23.4 45.1 4.5 289 100 B F H X S+ 0 0 14 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.934 111.7 49.8 -61.0 -48.9 26.4 45.9 2.3 290 101 B A H < S+ 0 0 4 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.908 113.9 45.1 -57.2 -43.6 26.4 42.3 0.9 291 102 B L H < S+ 0 0 40 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.807 114.4 49.2 -77.7 -24.4 22.7 42.4 0.0 292 103 B A H < S+ 0 0 66 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.671 121.5 32.3 -82.4 -20.2 23.0 45.9 -1.4 293 104 B H S X S+ 0 0 48 -4,-1.5 4,-3.1 -3,-0.3 5,-0.2 -0.438 71.2 154.1-135.5 58.7 26.0 45.1 -3.7 294 105 B R H > S+ 0 0 125 -3,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.890 75.9 37.0 -64.8 -48.2 25.6 41.5 -4.7 295 106 B E H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 117.3 53.2 -71.6 -37.6 27.5 41.4 -8.0 296 107 B L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.930 109.4 48.3 -61.9 -45.9 30.1 43.8 -6.8 297 108 B L H X S+ 0 0 13 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.899 109.6 52.5 -61.1 -40.8 30.8 41.6 -3.7 298 109 B A H X S+ 0 0 59 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.934 112.9 45.3 -58.1 -45.5 31.0 38.5 -5.9 299 110 B L H X S+ 0 0 19 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.927 110.1 54.6 -62.9 -45.4 33.6 40.4 -8.0 300 111 B X H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.934 115.2 38.2 -52.6 -51.9 35.5 41.7 -5.0 301 112 B Y H X S+ 0 0 24 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.881 117.8 49.2 -72.6 -39.4 36.0 38.2 -3.5 302 113 B G H X S+ 0 0 47 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.919 116.1 42.5 -62.6 -48.9 36.6 36.5 -6.9 303 114 B N H >< S+ 0 0 14 -4,-3.1 3,-1.4 -5,-0.2 -2,-0.2 0.952 110.7 55.4 -63.1 -52.2 39.2 39.1 -8.0 304 115 B K H 3< S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.776 115.9 37.8 -56.0 -30.2 41.0 39.3 -4.5 305 116 B H H 3< S+ 0 0 63 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.393 87.6 115.6-109.5 5.5 41.6 35.5 -4.5 306 117 B A S X< S- 0 0 45 -3,-1.4 3,-1.5 -4,-0.6 2,-0.1 -0.389 85.0 -80.7 -66.9 148.5 42.4 34.8 -8.2 307 118 B P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.327 119.1 9.0 -46.6 119.6 45.9 33.6 -9.0 308 119 B G T 3 S- 0 0 83 1,-0.1 3,-0.1 -3,-0.1 -3,-0.1 0.823 86.8-170.5 73.4 33.4 48.1 36.7 -9.1 309 120 B A < - 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