==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/PROTEIN BINDING 05-JAN-12 3VDO . COMPND 2 MOLECULE: RNA POLYMERASE SIGMA FACTOR SIGK; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.K.SHUKLA,B.GOPAL . 221 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 77.4 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 . 1 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 2 1 0 1 0 2 0 0 0 1 1 1 0 2 0 0 0 0 0 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 . 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 10 A D > 0 0 133 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -18.6 5.1 23.5 47.8 2 11 A L H > + 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.895 360.0 51.9 -62.0 -41.7 6.5 20.2 46.3 3 12 A D H > S+ 0 0 53 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.748 112.5 47.5 -67.1 -23.6 3.1 18.7 46.2 4 13 A A H > S+ 0 0 47 -3,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.714 108.9 52.1 -90.2 -25.5 1.9 21.7 44.3 5 14 A L H >X>S+ 0 0 17 -4,-1.7 4,-4.7 2,-0.2 3,-1.0 0.956 112.8 43.8 -72.1 -52.3 4.8 21.8 41.8 6 15 A L H 3X5S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.876 110.7 57.3 -58.1 -36.2 4.3 18.2 40.8 7 16 A R H 3<5S+ 0 0 140 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.783 120.1 30.0 -64.2 -28.4 0.6 19.0 40.7 8 17 A R H <<5S+ 0 0 143 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.2 0.844 127.4 38.6 -97.6 -46.1 1.5 21.7 38.2 9 18 A V H <5 0 0 0 -4,-4.7 5,-0.4 1,-0.2 -3,-0.2 0.881 360.0 360.0 -70.3 -40.6 4.6 20.4 36.4 10 19 A A << 0 0 28 -4,-1.9 48,-0.6 -5,-0.5 -1,-0.2 0.480 360.0 360.0 -48.4 360.0 3.2 16.8 36.4 11 ! 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 12 21 A H 0 0 204 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.6 0.6 20.4 29.2 13 22 A D - 0 0 90 -4,-0.1 2,-0.3 -3,-0.1 -3,-0.1 0.740 360.0-122.4 60.7 130.4 3.1 20.6 31.1 14 23 A Q > - 0 0 55 -5,-0.4 3,-3.1 1,-0.1 4,-0.4 -0.984 19.5-125.3-150.8 136.4 4.3 23.5 33.3 15 24 A A T >> S+ 0 0 77 -2,-0.3 3,-3.7 1,-0.3 4,-0.8 0.881 107.3 80.6 -44.9 -39.2 7.4 25.5 33.5 16 25 A A H 3> S+ 0 0 9 1,-0.3 4,-3.9 2,-0.2 3,-0.4 0.837 73.0 73.3 -30.7 -48.9 7.2 24.4 37.1 17 26 A F H <> S+ 0 0 5 -3,-3.1 4,-2.9 1,-0.3 -1,-0.3 0.865 96.2 51.5 -38.8 -43.6 8.7 21.1 35.8 18 27 A A H <> S+ 0 0 23 -3,-3.7 4,-3.2 -4,-0.4 -1,-0.3 0.942 112.3 43.2 -58.6 -50.7 11.9 23.2 35.7 19 28 A E H X S+ 0 0 122 -4,-0.8 4,-1.6 -3,-0.4 -2,-0.2 0.922 113.2 52.8 -63.3 -41.9 11.4 24.4 39.3 20 29 A F H X S+ 0 0 0 -4,-3.9 4,-0.7 1,-0.2 -2,-0.2 0.911 113.6 43.6 -58.2 -42.9 10.5 20.8 40.3 21 30 A Y H >X S+ 0 0 2 -4,-2.9 4,-1.8 -5,-0.4 3,-1.0 0.933 110.3 55.2 -67.1 -46.3 13.7 19.6 38.6 22 31 A D H 3< S+ 0 0 68 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.777 110.3 45.8 -57.0 -29.8 15.9 22.5 40.0 23 32 A H H 3< S+ 0 0 105 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.583 121.1 34.7 -95.1 -12.4 14.9 21.6 43.6 24 33 A T H XX S+ 0 0 0 -3,-1.0 4,-2.4 -4,-0.7 3,-0.6 0.477 88.8 103.1-116.8 -12.8 15.3 17.8 43.5 25 34 A K H 3X S+ 0 0 50 -4,-1.8 4,-3.0 1,-0.3 5,-0.3 0.879 81.0 41.5 -40.7 -69.5 18.3 17.6 41.2 26 35 A S H 3> S+ 0 0 22 -4,-0.3 183,-2.3 1,-0.2 4,-1.8 0.779 114.6 53.8 -61.2 -27.3 21.2 16.9 43.5 27 36 A R H <> S+ 0 0 45 -3,-0.6 4,-1.6 181,-0.2 -1,-0.2 0.936 114.2 39.7 -73.5 -42.9 19.1 14.5 45.5 28 37 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.3 5,-0.2 0.936 119.0 46.2 -68.5 -45.6 18.1 12.4 42.5 29 38 A Y H X S+ 0 0 16 -4,-3.0 4,-2.9 -5,-0.3 -2,-0.2 0.894 112.4 50.9 -66.9 -39.3 21.5 12.6 40.8 30 39 A G H X S+ 0 0 3 -4,-1.8 4,-2.5 179,-0.4 -1,-0.2 0.855 109.7 49.9 -66.3 -37.4 23.4 11.8 44.0 31 40 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.975 115.1 42.5 -65.1 -53.7 21.3 8.7 44.7 32 41 A V H X>S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.6 0.939 113.6 52.5 -55.0 -52.5 21.7 7.3 41.2 33 42 A M H X5S+ 0 0 45 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.930 109.7 50.4 -46.4 -51.2 25.4 8.2 41.3 34 43 A R H <5S+ 0 0 98 -4,-2.5 -1,-0.2 173,-0.2 -2,-0.2 0.875 116.8 40.2 -55.3 -42.6 25.7 6.3 44.6 35 44 A V H <5S+ 0 0 4 -4,-2.1 -2,-0.2 -3,-0.1 -1,-0.2 0.925 126.8 28.2 -78.4 -49.7 24.0 3.2 43.1 36 45 A L H <5S- 0 0 22 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.828 85.4-147.0 -84.6 -35.4 25.5 3.0 39.6 37 46 A R << + 0 0 186 -4,-2.0 2,-0.3 -5,-0.6 -4,-0.1 0.945 57.6 112.3 65.8 50.5 28.8 4.6 40.2 38 47 A D > - 0 0 73 -5,-0.2 4,-1.5 -6,-0.1 -1,-0.2 -0.930 58.5-152.7-156.9 128.6 29.1 6.1 36.7 39 48 A T H > S+ 0 0 87 -2,-0.3 4,-1.3 3,-0.2 5,-0.1 0.867 99.7 44.6 -67.3 -37.6 29.0 9.7 35.5 40 49 A G H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.1 3,-0.2 0.983 118.2 36.3 -71.9 -62.4 27.7 8.6 32.1 41 50 A Y H > S+ 0 0 126 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.844 114.3 60.2 -63.4 -31.5 24.9 6.1 32.9 42 51 A S H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.904 106.0 46.7 -62.6 -43.6 24.0 8.2 35.9 43 52 A E H X S+ 0 0 37 -4,-1.3 4,-2.2 -3,-0.2 -2,-0.2 0.966 114.2 47.5 -58.0 -54.6 23.2 11.2 33.7 44 53 A E H X S+ 0 0 96 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.956 113.2 47.4 -54.0 -52.6 21.2 9.0 31.3 45 54 A T H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.896 108.7 55.2 -55.1 -44.3 19.2 7.3 34.1 46 55 A T H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.914 107.8 49.7 -56.6 -43.9 18.5 10.7 35.7 47 56 A Q H X S+ 0 0 68 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.911 108.8 52.0 -59.2 -47.2 17.0 11.9 32.4 48 57 A E H X S+ 0 0 75 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.883 108.9 52.1 -57.3 -40.7 14.8 8.8 32.2 49 58 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.949 111.8 42.8 -62.1 -48.8 13.6 9.5 35.7 50 59 A Y H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.795 112.4 56.2 -72.4 -27.4 12.6 13.1 35.0 51 60 A L H X S+ 0 0 51 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.955 109.0 44.9 -61.5 -55.2 11.1 12.0 31.8 52 61 A E H X S+ 0 0 49 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.826 108.1 60.7 -57.2 -31.5 9.0 9.5 33.8 53 62 A V H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.942 110.6 38.7 -63.3 -45.1 8.2 12.3 36.2 54 63 A W H >< S+ 0 0 47 -4,-1.8 3,-0.6 -3,-0.2 4,-0.3 0.900 117.9 48.9 -67.0 -43.7 6.6 14.4 33.4 55 64 A R H 3< S+ 0 0 146 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.867 126.3 25.2 -64.8 -43.9 4.9 11.4 31.6 56 65 A N T 3< S+ 0 0 54 -4,-2.2 3,-0.5 -5,-0.2 4,-0.3 0.078 86.5 116.7-108.5 17.1 3.3 9.9 34.8 57 66 A A S X S+ 0 0 2 -3,-0.6 3,-1.5 1,-0.3 -47,-0.2 0.855 72.2 56.9 -60.4 -37.9 3.2 13.1 36.8 58 67 A S T 3 S+ 0 0 102 -48,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.886 91.2 70.5 -61.5 -40.1 -0.6 13.1 36.9 59 68 A E T 3 S+ 0 0 137 -3,-0.5 -1,-0.3 -49,-0.1 -2,-0.2 0.663 76.6 115.2 -52.5 -14.2 -0.6 9.6 38.5 60 69 A F < - 0 0 22 -3,-1.5 2,-0.5 -4,-0.3 7,-0.1 -0.391 46.8-171.9 -65.3 130.9 0.7 11.4 41.6 61 70 A D >> - 0 0 74 -2,-0.1 3,-2.0 5,-0.1 4,-0.7 -0.947 10.8-163.5-125.3 105.5 -1.6 11.3 44.6 62 71 A S T 34 S+ 0 0 40 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.733 89.0 66.5 -67.4 -18.6 -0.3 13.6 47.4 63 72 A A T 34 S+ 0 0 91 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.216 100.8 51.9 -84.5 14.4 -2.6 11.8 49.8 64 73 A K T <4 S- 0 0 149 -3,-2.0 2,-0.3 1,-0.6 -1,-0.2 0.559 127.9 -39.1-117.3 -22.1 -0.5 8.7 49.3 65 74 A G S < S- 0 0 17 -4,-0.7 -1,-0.6 -3,-0.3 130,-0.1 -0.918 74.8 -66.1 169.7 168.4 2.9 10.1 50.0 66 75 A S > - 0 0 29 -2,-0.3 4,-2.0 128,-0.1 5,-0.1 -0.233 39.2-118.3 -72.3 164.2 5.0 13.2 49.4 67 76 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.947 117.5 54.3 -64.1 -45.7 6.2 14.4 46.0 68 77 A L H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 109.1 47.6 -53.9 -45.1 9.8 13.9 47.2 69 78 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.905 110.2 51.8 -64.0 -45.0 9.0 10.3 48.1 70 79 A W H X S+ 0 0 58 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.913 114.8 42.8 -58.2 -44.0 7.3 9.5 44.9 71 80 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.950 115.7 45.7 -71.8 -48.8 10.3 10.9 42.9 72 81 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.840 111.7 53.6 -66.7 -31.1 13.1 9.3 45.0 73 82 A T H X S+ 0 0 22 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.889 111.2 44.1 -70.5 -39.0 11.3 6.0 45.1 74 83 A M H X S+ 0 0 17 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.806 113.4 53.5 -74.3 -26.1 11.0 5.8 41.3 75 84 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.892 111.5 44.1 -70.6 -42.2 14.6 7.0 41.0 76 85 A H H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.874 110.9 53.7 -70.7 -41.1 15.9 4.2 43.2 77 86 A R H X S+ 0 0 105 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.925 113.1 45.6 -58.1 -43.4 13.7 1.6 41.5 78 87 A R H X S+ 0 0 73 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.938 114.8 44.5 -68.8 -49.5 15.3 2.7 38.2 79 88 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 3,-0.3 0.963 116.1 46.7 -58.9 -52.4 18.9 2.8 39.4 80 89 A V H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.3 5,-0.2 0.903 109.6 53.8 -57.6 -42.0 18.7 -0.5 41.3 81 90 A D H X S+ 0 0 60 -4,-2.0 4,-2.9 -5,-0.4 5,-0.4 0.885 104.9 56.8 -60.6 -33.6 17.0 -2.1 38.3 82 91 A R H X S+ 0 0 42 -4,-1.6 4,-0.8 -3,-0.3 -1,-0.2 0.883 107.7 46.5 -63.1 -39.6 20.0 -0.8 36.3 83 92 A V H < S+ 0 0 55 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.846 121.5 37.6 -70.9 -35.0 22.3 -2.7 38.6 84 93 A R H < S+ 0 0 72 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.959 108.2 55.4 -82.6 -58.0 20.3 -5.9 38.4 85 94 A C H < 0 0 95 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.1 0.838 360.0 360.0 -50.7 -29.8 18.9 -6.2 34.9 86 95 A E < 0 0 146 -4,-0.8 -3,-0.2 -5,-0.4 -2,-0.1 0.534 360.0 360.0-126.6 360.0 22.6 -6.0 34.0 87 ! 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 88 123 A A >> 0 0 124 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -94.7 21.9 22.3 53.0 89 124 A G H 3> + 0 0 25 1,-0.2 4,-0.9 2,-0.2 5,-0.0 0.335 360.0 69.0 -75.0 6.1 25.0 20.3 54.0 90 125 A D H 3> S+ 0 0 114 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.782 93.9 50.6 -91.4 -37.8 23.4 20.4 57.5 91 126 A E H <> S+ 0 0 68 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.871 109.7 56.3 -63.5 -34.3 20.5 18.1 56.5 92 127 A R H X S+ 0 0 101 -4,-1.0 4,-2.7 113,-0.2 -2,-0.2 0.921 109.6 41.9 -59.8 -48.3 23.2 15.9 55.2 93 128 A R H X S+ 0 0 130 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.891 110.3 56.2 -72.8 -39.1 25.1 15.7 58.5 94 129 A R H X S+ 0 0 91 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.907 113.9 42.0 -54.3 -43.8 21.9 15.3 60.5 95 130 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.908 110.2 55.0 -73.5 -44.3 21.1 12.3 58.4 96 131 A T H X S+ 0 0 53 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.864 105.1 55.9 -56.0 -38.4 24.6 10.9 58.4 97 132 A E H X S+ 0 0 137 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.949 107.7 47.9 -56.0 -52.7 24.5 11.0 62.2 98 133 A a H X S+ 0 0 4 -4,-1.5 4,-0.6 1,-0.2 3,-0.4 0.894 111.5 49.2 -58.6 -44.2 21.4 8.8 62.2 99 134 A L H < S+ 0 0 27 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.844 112.3 49.0 -63.2 -35.5 22.9 6.3 59.8 100 135 A K H < S+ 0 0 149 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.633 104.3 60.4 -78.4 -16.4 26.0 6.1 61.9 101 136 A A H < S+ 0 0 72 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.586 84.0 99.2 -87.9 -12.6 23.9 5.6 65.1 102 137 A L S < S- 0 0 5 -4,-0.6 39,-0.0 -3,-0.5 -3,-0.0 -0.408 87.9 -99.8 -66.3 150.3 22.4 2.4 63.7 103 138 A T > - 0 0 65 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.249 38.2-105.6 -62.3 161.8 23.9 -0.9 64.9 104 139 A D H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.902 120.8 50.4 -61.3 -41.0 26.3 -2.4 62.4 105 140 A T H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 112.6 46.4 -63.8 -42.6 23.9 -5.1 61.4 106 141 A Q H > S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.887 113.6 48.1 -68.9 -36.4 21.1 -2.6 60.8 107 142 A R H X S+ 0 0 80 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.838 109.6 54.3 -70.1 -32.9 23.5 -0.3 58.9 108 143 A Q H X S+ 0 0 89 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.849 103.3 55.7 -71.1 -34.5 24.6 -3.3 56.8 109 144 A C H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 5,-0.4 0.932 111.6 42.8 -62.8 -46.9 21.1 -4.2 55.8 110 145 A I H X>S+ 0 0 3 -4,-1.4 4,-1.5 1,-0.2 5,-1.3 0.892 114.1 52.5 -65.9 -41.2 20.4 -0.7 54.4 111 146 A E H X>S+ 0 0 71 -4,-2.0 5,-2.0 3,-0.2 4,-0.5 0.943 115.5 38.4 -57.8 -52.2 23.8 -0.7 52.7 112 147 A L H <5S+ 0 0 26 -4,-2.6 6,-2.3 3,-0.2 -2,-0.2 0.926 126.4 33.4 -70.6 -46.4 23.4 -4.0 50.9 113 148 A A H <5S+ 0 0 0 -4,-2.3 4,-0.5 -5,-0.3 -3,-0.2 0.959 127.6 31.4 -77.7 -53.3 19.8 -3.7 50.0 114 149 A Y H <5S+ 0 0 7 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.930 134.5 22.5 -78.1 -48.4 19.2 -0.0 49.3 115 150 A Y T < - 0 0 12 -2,-0.2 4,-2.2 1,-0.1 47,-0.2 -0.489 29.6-106.7 -75.8 155.2 17.1 -8.1 47.4 120 155 A Y H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.839 122.9 54.6 -53.3 -32.9 16.3 -9.2 51.0 121 156 A V H > S+ 0 0 32 44,-0.2 4,-2.1 2,-0.2 3,-0.3 0.969 107.3 47.4 -63.8 -56.9 16.7 -12.8 49.9 122 157 A E H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.825 110.8 54.6 -51.7 -35.2 20.2 -12.1 48.4 123 158 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.888 105.9 50.6 -69.2 -39.2 21.0 -10.4 51.7 124 159 A S H X>S+ 0 0 10 -4,-1.9 5,-2.2 -3,-0.3 4,-0.6 0.901 111.0 48.8 -64.7 -41.9 20.0 -13.4 53.8 125 160 A R H ><5S+ 0 0 180 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.882 111.3 50.1 -63.8 -39.5 22.2 -15.7 51.7 126 161 A R H 3<5S+ 0 0 177 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.789 115.9 41.1 -73.4 -26.7 25.2 -13.4 51.9 127 162 A L H 3<5S- 0 0 44 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.387 106.1-119.0-104.3 4.0 24.9 -13.0 55.7 128 163 A A T <<5S+ 0 0 103 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.915 73.0 125.5 60.7 43.2 24.1 -16.7 56.6 129 164 A A < - 0 0 36 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.815 62.5 -96.5-130.2 166.8 20.8 -15.6 58.1 130 165 A N > - 0 0 116 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.436 28.1-119.9 -83.6 160.4 17.1 -16.5 57.8 131 166 A L H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.880 117.5 56.2 -63.5 -38.8 14.6 -14.5 55.7 132 167 A S H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 108.5 48.3 -54.1 -43.7 12.7 -13.9 58.9 133 168 A T H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 110.7 46.8 -72.9 -40.9 15.8 -12.4 60.3 134 169 A I H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.836 112.3 52.6 -71.4 -28.5 16.7 -10.1 57.5 135 170 A K H X S+ 0 0 20 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.913 112.6 42.6 -74.6 -41.9 13.1 -8.9 57.3 136 171 A S H X S+ 0 0 53 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.889 114.3 53.2 -64.4 -41.8 12.9 -8.0 60.9 137 172 A R H X S+ 0 0 74 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.925 108.6 47.7 -64.3 -46.2 16.4 -6.5 60.7 138 173 A M H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 112.6 50.6 -58.7 -44.6 15.5 -4.2 57.8 139 174 A R H X S+ 0 0 74 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.906 110.4 49.6 -57.0 -46.7 12.3 -3.2 59.6 140 175 A D H X S+ 0 0 54 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.934 109.3 50.8 -60.2 -49.4 14.3 -2.4 62.8 141 176 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.923 113.1 46.1 -54.2 -48.2 16.9 -0.3 60.8 142 177 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.795 111.8 51.5 -67.7 -29.8 14.1 1.8 59.2 143 178 A R H X S+ 0 0 95 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.928 109.9 49.0 -72.9 -45.6 12.3 2.2 62.5 144 179 A S H X S+ 0 0 42 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.851 113.5 48.6 -57.3 -38.7 15.5 3.5 64.2 145 180 A L H X S+ 0 0 2 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.954 109.8 49.1 -66.7 -54.6 15.9 5.9 61.3 146 181 A R H < S+ 0 0 77 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.894 115.6 46.1 -49.0 -45.6 12.4 7.2 61.3 147 182 A N H >< S+ 0 0 112 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.850 115.0 45.6 -69.2 -35.9 12.7 7.7 65.1 148 183 A a H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.611 107.7 59.5 -82.2 -13.2 16.2 9.4 64.7 149 184 A L T 3< 0 0 20 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.508 360.0 360.0 -91.3 -6.8 14.9 11.5 61.8 150 185 A D < 0 0 176 -3,-0.5 -2,-0.2 -4,-0.4 -3,-0.1 0.707 360.0 360.0-116.0 360.0 12.2 13.1 64.0 151 !* 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 0.0 152 7 B F 0 0 201 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.4 0.6 -10.0 59.2 153 8 B E > + 0 0 125 2,-0.2 3,-1.3 1,-0.1 4,-0.4 0.809 360.0 59.3 -75.4 -35.4 3.2 -12.1 57.4 154 9 B L G > S+ 0 0 10 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.863 96.5 61.8 -57.3 -35.2 2.4 -9.9 54.5 155 10 B L G > S+ 0 0 26 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.760 89.6 67.6 -64.3 -25.6 3.4 -7.0 56.7 156 11 B E G < S+ 0 0 38 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.714 96.5 57.3 -67.5 -16.5 6.9 -8.3 56.9 157 12 B L G <> S+ 0 0 8 -3,-1.6 4,-2.7 -4,-0.4 -1,-0.2 0.622 82.1 84.1 -92.0 -13.6 7.3 -7.6 53.2 158 13 B A H <> S+ 0 0 0 -3,-1.0 4,-3.0 -4,-0.4 5,-0.2 0.917 90.0 48.1 -55.4 -51.6 6.5 -3.9 53.3 159 14 B T H > S+ 0 0 0 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.955 115.4 42.5 -60.8 -53.8 10.0 -2.7 54.2 160 15 B P H 4>S+ 0 0 0 0, 0.0 5,-2.3 0, 0.0 6,-0.5 0.926 114.8 52.1 -57.9 -45.8 11.8 -4.7 51.6 161 16 B Y H ><5S+ 0 0 26 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.922 111.1 48.3 -50.7 -49.2 9.1 -3.8 49.0 162 17 B A H 3<5S+ 0 0 5 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.2 0.828 109.0 51.1 -67.4 -34.4 9.6 -0.1 49.9 163 18 B L T 3<5S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.461 111.1-126.3 -77.3 1.1 13.4 -0.4 49.6 164 19 B N T < 5S+ 0 0 7 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.915 71.6 129.5 54.0 46.7 12.8 -1.9 46.2 165 20 B A < + 0 0 0 -5,-2.3 -44,-0.2 -6,-0.1 -4,-0.2 0.524 38.7 95.0-106.3 -11.0 14.9 -4.9 47.1 166 21 B V S S- 0 0 2 -6,-0.5 -9,-0.0 -47,-0.2 0, 0.0 -0.521 83.7-104.5 -80.5 151.8 12.5 -7.7 46.2 167 22 B S > - 0 0 46 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.156 30.8-107.0 -65.1 167.9 12.9 -9.2 42.8 168 23 B D H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.867 121.9 54.1 -66.8 -32.5 10.4 -8.3 40.0 169 24 B D H >> S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.997 113.1 40.4 -57.7 -63.8 8.9 -11.8 40.4 170 25 B E H 3> S+ 0 0 40 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.883 110.6 59.4 -55.7 -44.8 8.3 -11.3 44.2 171 26 B R H 3X S+ 0 0 21 -4,-3.0 4,-2.3 1,-0.2 -1,-0.3 0.918 107.3 46.6 -46.9 -47.1 7.2 -7.7 43.7 172 27 B A H > - 0 0 85 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.354 44.5-104.8 -58.6 146.7 -8.8 -7.3 53.3 183 38 B S H 3> S+ 0 0 100 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.779 119.6 52.1 -49.9 -42.8 -8.8 -3.5 53.3 184 39 B P H 3> S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.883 111.5 48.6 -59.0 -40.5 -7.4 -3.1 56.9 185 40 B V H <> S+ 0 0 45 -3,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.919 112.3 47.9 -66.0 -45.8 -4.6 -5.5 56.0 186 41 B A H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.846 110.2 52.5 -63.4 -35.7 -3.8 -3.6 52.8 187 42 B A H X S+ 0 0 56 -4,-2.1 4,-3.2 -5,-0.3 5,-0.2 0.929 107.1 51.0 -68.8 -43.7 -3.8 -0.3 54.6 188 43 B A H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.915 112.7 47.8 -57.3 -44.2 -1.3 -1.4 57.2 189 44 B F H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.932 113.4 45.5 -64.3 -47.5 0.9 -2.6 54.5 190 45 B N H X S+ 0 0 84 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.896 110.4 54.4 -67.0 -38.5 0.7 0.6 52.5 191 46 B D H X S+ 0 0 94 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.922 110.8 46.1 -60.2 -45.8 1.1 2.7 55.5 192 47 B E H X S+ 0 0 24 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.957 112.7 50.2 -56.1 -55.4 4.4 0.8 56.3 193 48 B V H X S+ 0 0 9 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.891 113.1 46.7 -50.2 -43.9 5.5 1.1 52.6 194 49 B R H X S+ 0 0 92 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.919 108.7 53.4 -70.3 -43.2 4.8 4.9 52.7 195 50 B A H X S+ 0 0 12 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.897 110.6 49.0 -58.9 -41.2 6.5 5.5 56.0 196 51 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.920 110.3 48.6 -66.2 -45.0 9.6 3.8 54.6 197 52 B R H X S+ 0 0 53 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.903 110.6 52.5 -62.2 -39.7 9.7 5.8 51.3 198 53 B E H X S+ 0 0 43 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.930 109.3 50.1 -59.5 -44.3 9.3 9.0 53.3 199 54 B T H X S+ 0 0 10 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.904 112.4 45.2 -60.4 -44.4 12.2 8.1 55.5 200 55 B M H X S+ 0 0 8 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.849 107.9 57.7 -74.1 -31.8 14.5 7.3 52.5 201 56 B A H < S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.883 111.2 43.6 -61.1 -37.6 13.4 10.4 50.7 202 57 B V H >< S+ 0 0 46 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.929 109.4 57.2 -70.8 -43.1 14.7 12.3 53.8 203 58 B V H >< S+ 0 0 1 -4,-2.6 3,-2.3 1,-0.3 4,-0.3 0.771 86.7 79.7 -57.5 -27.5 17.8 10.1 53.9 204 59 B S G >< S+ 0 0 2 -4,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.683 72.5 80.5 -55.5 -17.5 18.6 11.2 50.3 205 60 B A G X S+ 0 0 10 -3,-1.9 3,-0.6 1,-0.2 -1,-0.3 0.744 89.3 55.0 -60.9 -20.2 20.0 14.4 51.9 206 61 B A G < S+ 0 0 23 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.599 106.4 45.9 -94.9 -13.7 23.2 12.5 52.6 207 62 B T G < S+ 0 0 24 -3,-1.2 -173,-0.2 -4,-0.3 -1,-0.2 -0.062 82.7 147.3-114.5 28.4 23.9 11.2 49.1 208 63 B T < + 0 0 54 -3,-0.6 2,-0.3 -178,-0.1 -181,-0.2 -0.404 17.1 167.7 -70.2 139.1 23.3 14.6 47.5 209 64 B A - 0 0 33 -183,-2.3 -179,-0.4 -2,-0.1 -180,-0.2 -0.979 33.8-115.9-153.4 140.9 25.4 15.5 44.4 210 65 B E - 0 0 124 -2,-0.3 3,-0.1 -181,-0.1 -184,-0.0 -0.619 27.2-143.5 -84.2 129.8 25.2 18.3 41.8 211 66 B P - 0 0 15 0, 0.0 -185,-0.1 0, 0.0 2,-0.1 -0.479 32.6 -87.2 -83.5 158.3 24.6 17.2 38.1 212 67 B P >> - 0 0 40 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.371 34.6-119.5 -64.0 142.3 26.2 19.0 35.1 213 68 B A H 3> S+ 0 0 87 1,-0.3 4,-1.2 2,-0.2 3,-0.5 0.751 108.8 71.5 -53.0 -23.8 24.3 22.0 33.8 214 69 B H H 3> S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.693 88.5 61.7 -72.4 -14.8 24.0 20.1 30.4 215 70 B L H <> S+ 0 0 2 -3,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.878 97.7 55.3 -78.9 -36.9 21.5 17.7 31.9 216 71 B R H X S+ 0 0 85 -4,-0.6 4,-2.8 -3,-0.5 5,-0.3 0.924 106.3 53.1 -57.4 -46.6 19.0 20.4 32.8 217 72 B T H X S+ 0 0 106 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.926 112.7 41.6 -55.3 -51.1 19.0 21.5 29.1 218 73 B A H X S+ 0 0 35 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.872 115.8 51.8 -66.7 -37.5 18.2 18.1 27.7 219 74 B I H < S+ 0 0 7 -4,-2.3 4,-0.2 2,-0.2 -2,-0.2 0.938 111.2 43.6 -65.5 -51.3 15.7 17.3 30.4 220 75 B L H >< S+ 0 0 40 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.832 114.5 53.4 -65.6 -30.2 13.6 20.5 30.0 221 76 B D H >< S+ 0 0 102 -4,-1.5 3,-2.0 -5,-0.3 -1,-0.2 0.875 91.3 72.3 -70.9 -38.2 13.8 20.0 26.3 222 77 B A T 3< S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.545 79.6 79.0 -61.5 -5.2 12.5 16.5 26.3 223 78 B T T < 0 0 42 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.623 360.0 360.0 -75.0 -12.7 9.0 17.8 27.1 224 79 B K < 0 0 193 -3,-2.0 -3,-0.0 -4,-0.1 0, 0.0 -0.564 360.0 360.0-115.6 360.0 8.2 18.8 23.5