==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 01-FEB-11 3QKX . COMPND 2 MOLECULE: UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATO . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 364 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 75.3 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 . 4 1.1 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 . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 5 1 1 2 1 2 2 0 1 0 0 3 0 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 . 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 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 2 A R > 0 0 279 0, 0.0 2,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 129.5 46.9 24.3 6.7 2 3 A Q T 3 + 0 0 108 1,-0.3 4,-0.4 2,-0.1 0, 0.0 -0.458 360.0 118.4 -89.2 73.8 46.7 24.5 10.5 3 4 A A T 3> S+ 0 0 68 -2,-1.8 4,-2.7 2,-0.1 -1,-0.3 0.408 82.2 72.9 -70.9 -20.5 46.2 28.0 11.7 4 5 A K H <> S+ 0 0 104 -3,-0.5 4,-1.2 2,-0.2 -2,-0.1 0.798 94.3 46.6 -58.2 -35.8 43.2 25.7 12.7 5 6 A T H > S+ 0 0 84 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.884 113.4 48.9 -71.5 -40.1 45.5 24.1 15.4 6 7 A D H > S+ 0 0 108 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.925 112.0 47.7 -65.6 -46.8 46.7 27.5 16.6 7 8 A L H X S+ 0 0 38 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.811 110.4 53.1 -61.3 -36.4 43.2 28.8 16.8 8 9 A A H X S+ 0 0 13 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.902 110.1 47.5 -61.8 -42.6 42.2 25.7 18.7 9 10 A E H X S+ 0 0 71 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.807 105.1 59.2 -70.7 -32.8 45.1 26.4 21.1 10 11 A Q H X S+ 0 0 85 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.935 112.3 41.1 -54.7 -46.7 44.0 30.0 21.5 11 12 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.896 114.1 51.3 -71.2 -40.5 40.6 28.6 22.7 12 13 A F H X S+ 0 0 14 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.933 107.6 53.0 -65.2 -45.4 42.2 25.9 24.9 13 14 A S H X S+ 0 0 38 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.876 111.0 47.8 -49.8 -44.9 44.5 28.4 26.6 14 15 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.794 104.8 59.6 -69.8 -32.1 41.4 30.4 27.4 15 16 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.937 104.1 51.4 -60.6 -47.3 39.6 27.3 28.7 16 17 A D H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.941 110.9 47.9 -49.1 -53.5 42.4 26.9 31.2 17 18 A R H X S+ 0 0 76 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.918 112.3 45.9 -60.3 -50.1 42.0 30.5 32.4 18 19 A L H X S+ 0 0 6 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.854 114.6 51.0 -65.5 -30.4 38.2 30.5 32.8 19 20 A X H < S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.853 112.3 45.6 -71.3 -36.6 38.6 27.2 34.6 20 21 A A H < S+ 0 0 36 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.863 122.0 35.4 -74.9 -36.6 41.2 28.6 37.0 21 22 A R H < S+ 0 0 184 -4,-2.5 -3,-0.2 -5,-0.2 2,-0.2 0.954 130.7 18.9 -85.6 -57.2 39.4 31.8 37.8 22 23 A E S < S- 0 0 95 -4,-1.5 2,-0.1 -5,-0.3 5,-0.0 -0.412 103.9 -81.1 -93.4-178.3 35.7 30.7 37.8 23 24 A G - 0 0 3 -2,-0.2 3,-0.4 1,-0.1 4,-0.2 -0.481 27.0-117.9 -82.9 158.4 34.7 27.0 38.1 24 25 A L S > S+ 0 0 27 -5,-0.2 3,-1.2 1,-0.2 -1,-0.1 0.849 118.0 58.4 -53.5 -39.8 34.6 24.3 35.4 25 26 A N T 3 S+ 0 0 102 1,-0.2 -1,-0.2 -6,-0.1 -6,-0.0 0.826 99.5 57.0 -57.9 -38.1 30.8 24.1 36.1 26 27 A Q T 3 S+ 0 0 78 -3,-0.4 -1,-0.2 -8,-0.1 -2,-0.2 0.471 82.4 117.6 -79.6 -2.5 30.5 27.8 35.2 27 28 A L < + 0 0 7 -3,-1.2 2,-0.3 -4,-0.2 23,-0.1 -0.403 33.4 162.8 -64.4 138.6 32.0 27.3 31.7 28 29 A S > - 0 0 47 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.950 49.2-108.7-149.0 164.6 29.8 28.1 28.7 29 30 A X H > S+ 0 0 10 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.874 115.6 53.7 -67.1 -38.4 30.7 28.7 25.1 30 31 A L H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 110.1 48.3 -60.7 -41.8 29.9 32.4 25.1 31 32 A K H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 111.5 49.5 -68.5 -37.2 32.2 32.9 28.1 32 33 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.799 108.6 52.5 -73.3 -31.5 35.1 31.0 26.4 33 34 A A H X>S+ 0 0 4 -4,-2.0 5,-2.2 2,-0.2 4,-1.2 0.917 109.6 48.4 -68.2 -45.2 34.8 32.9 23.1 34 35 A K H ><5S+ 0 0 81 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.936 113.6 47.9 -60.3 -45.5 35.1 36.3 24.9 35 36 A E H 3<5S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.2 45.0 -62.6 -36.7 38.1 35.0 26.9 36 37 A A H 3<5S- 0 0 6 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.582 108.0-122.8 -84.3 -10.9 39.7 33.7 23.7 37 38 A N T <<5 + 0 0 147 -4,-1.2 2,-0.3 -3,-0.7 -3,-0.2 0.903 69.5 128.5 63.6 43.4 39.0 36.8 21.6 38 39 A V < - 0 0 19 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.951 64.8-101.1-124.7 149.4 37.1 34.8 19.0 39 40 A A >> - 0 0 65 -2,-0.3 4,-1.5 1,-0.1 3,-1.5 -0.390 31.0-115.5 -64.6 144.4 33.6 35.4 17.6 40 41 A A H 3> S+ 0 0 61 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.882 119.2 57.2 -44.0 -44.0 30.7 33.3 18.9 41 42 A G H 3> S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.841 102.4 54.5 -55.2 -38.1 30.5 31.8 15.4 42 43 A T H <> S+ 0 0 42 -3,-1.5 4,-2.3 2,-0.2 3,-0.2 0.964 109.4 44.2 -65.9 -51.7 34.1 30.7 15.5 43 44 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.868 113.5 50.5 -64.9 -37.2 33.9 28.6 18.7 44 45 A Y H < S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.812 111.1 49.4 -72.6 -29.8 30.6 27.0 17.7 45 46 A L H < S+ 0 0 150 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.916 113.0 47.2 -69.3 -44.6 32.0 26.0 14.3 46 47 A Y H < S+ 0 0 67 -4,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.849 122.7 28.4 -63.6 -41.9 35.2 24.5 15.9 47 48 A F S < S- 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.1 -0.993 70.1-139.8-130.5 133.1 33.3 22.5 18.6 48 49 A K S S- 0 0 104 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.882 80.8 -33.7 -57.8 -45.4 29.8 21.1 18.4 49 50 A N S > S- 0 0 82 -3,-0.1 4,-2.0 -6,-0.0 5,-0.1 -0.918 80.0 -69.4-159.1-178.1 29.0 22.0 22.0 50 51 A K H > S+ 0 0 49 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.795 126.7 57.1 -50.0 -35.7 30.7 22.4 25.5 51 52 A D H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.973 107.2 44.5 -61.9 -55.8 31.1 18.5 25.7 52 53 A E H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.857 113.4 54.0 -61.5 -35.5 33.1 18.1 22.4 53 54 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.969 109.7 44.8 -56.6 -58.0 35.2 21.1 23.5 54 55 A L H X S+ 0 0 16 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.799 110.0 57.1 -65.1 -28.2 36.1 19.6 26.9 55 56 A E H X S+ 0 0 83 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.968 111.3 40.9 -59.7 -56.4 36.9 16.2 25.2 56 57 A Q H X S+ 0 0 88 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.858 112.4 56.6 -63.0 -36.4 39.5 17.7 22.8 57 58 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.915 104.2 53.1 -59.1 -46.9 40.8 19.9 25.7 58 59 A A H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.942 109.4 48.5 -50.1 -52.4 41.4 16.7 27.7 59 60 A H H X S+ 0 0 111 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.864 110.8 50.5 -58.2 -40.5 43.4 15.3 24.8 60 61 A R H X S+ 0 0 24 -4,-2.2 4,-1.6 2,-0.2 -1,-0.3 0.847 109.8 51.5 -65.6 -36.0 45.4 18.5 24.6 61 62 A V H X S+ 0 0 8 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.919 107.8 50.2 -69.1 -44.9 46.1 18.3 28.3 62 63 A F H X S+ 0 0 36 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.930 109.1 55.0 -54.5 -43.9 47.4 14.7 28.1 63 64 A S H X S+ 0 0 78 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.863 105.6 49.9 -58.7 -44.5 49.7 15.9 25.2 64 65 A X H X S+ 0 0 59 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.883 111.1 50.4 -62.4 -40.5 51.3 18.7 27.3 65 66 A F H X S+ 0 0 74 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.950 111.9 46.6 -62.0 -48.5 51.9 16.2 30.1 66 67 A X H X S+ 0 0 38 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.894 112.1 51.0 -61.5 -39.5 53.5 13.7 27.7 67 68 A A H X S+ 0 0 53 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.841 106.7 55.6 -67.0 -32.2 55.6 16.5 26.1 68 69 A T H < S+ 0 0 17 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.918 107.6 47.7 -67.1 -43.7 56.8 17.6 29.6 69 70 A L H < S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.8 50.7 -62.4 -34.9 58.1 14.1 30.4 70 71 A E H >< S+ 0 0 93 -4,-1.6 3,-2.0 -5,-0.2 -1,-0.2 0.784 79.7 118.0 -76.0 -27.4 59.9 13.9 27.0 71 72 A K T 3< S- 0 0 80 -4,-1.4 18,-0.1 1,-0.3 -3,-0.0 -0.128 90.6 -5.4 -54.2 128.9 61.8 17.3 27.2 72 73 A D T 3 S+ 0 0 112 1,-0.2 -1,-0.3 17,-0.0 2,-0.1 0.679 89.4 169.5 61.4 26.2 65.6 17.0 27.1 73 74 A F < - 0 0 53 -3,-2.0 2,-0.3 12,-0.1 -1,-0.2 -0.436 10.4-179.0 -73.1 141.8 65.4 13.1 27.2 74 75 A D > - 0 0 61 -2,-0.1 3,-1.9 4,-0.1 8,-0.0 -0.814 23.0-163.4-152.2 97.2 68.7 11.3 26.6 75 76 A E T 3 S+ 0 0 156 -2,-0.3 -1,-0.1 1,-0.3 7,-0.1 0.711 91.0 66.3 -46.8 -30.7 69.1 7.5 26.6 76 77 A T T 3 S+ 0 0 122 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.731 87.3 80.4 -71.9 -26.8 72.8 7.9 27.0 77 78 A K S < S- 0 0 85 -3,-1.9 5,-0.0 1,-0.1 -3,-0.0 -0.339 97.2 -85.1 -73.3 162.3 72.6 9.4 30.5 78 79 A P > - 0 0 84 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.293 38.3-110.2 -65.5 158.2 72.1 7.2 33.6 79 80 A F H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.849 119.0 55.5 -60.3 -36.4 68.6 6.1 34.5 80 81 A F H > S+ 0 0 52 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.923 108.1 47.7 -59.3 -47.4 68.7 8.4 37.6 81 82 A E H > S+ 0 0 65 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.846 110.3 52.6 -65.2 -32.3 69.6 11.4 35.5 82 83 A Q H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.906 113.7 43.8 -64.8 -42.1 66.7 10.4 33.1 83 84 A Y H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.915 112.9 51.3 -67.6 -44.1 64.5 10.3 36.2 84 85 A R H X S+ 0 0 55 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.902 109.0 51.2 -61.1 -42.2 65.9 13.6 37.6 85 86 A Q H X S+ 0 0 33 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.924 110.5 48.9 -58.0 -46.7 65.3 15.3 34.2 86 87 A X H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.887 110.6 50.9 -63.3 -39.6 61.7 14.1 34.2 87 88 A W H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.952 113.6 44.3 -59.5 -49.8 61.2 15.3 37.8 88 89 A K H X S+ 0 0 53 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.863 108.7 57.7 -65.4 -39.2 62.6 18.8 36.9 89 90 A N H X S+ 0 0 11 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.936 112.0 41.4 -55.7 -46.4 60.6 18.9 33.7 90 91 A I H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.919 115.8 50.1 -67.6 -44.6 57.4 18.4 35.8 91 92 A W H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.945 115.9 39.5 -60.9 -53.5 58.5 20.8 38.6 92 93 A Y H X S+ 0 0 95 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.759 112.7 57.8 -70.3 -27.0 59.5 23.7 36.3 93 94 A F H X S+ 0 0 31 -4,-1.5 4,-1.4 -5,-0.4 -1,-0.2 0.925 111.5 40.4 -67.1 -45.3 56.5 23.1 34.0 94 95 A L H < S+ 0 0 6 -4,-2.2 7,-0.3 2,-0.2 -2,-0.2 0.848 115.4 51.9 -73.5 -36.0 54.0 23.5 36.8 95 96 A Q H < S+ 0 0 114 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.938 113.7 44.3 -57.9 -51.0 56.0 26.4 38.4 96 97 A E H < S+ 0 0 138 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.782 122.1 39.8 -65.7 -27.4 56.0 28.1 35.0 97 98 A N >X + 0 0 53 -4,-1.4 4,-1.7 1,-0.1 3,-0.6 -0.629 61.4 161.7-126.1 72.5 52.2 27.3 34.4 98 99 A P H 3> S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.797 75.0 63.3 -67.1 -29.1 50.3 27.8 37.7 99 100 A T H 3> S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.891 105.0 47.8 -58.4 -37.4 47.0 28.0 35.9 100 101 A I H <> S+ 0 0 5 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.917 108.5 55.2 -68.2 -41.7 47.6 24.4 34.8 101 102 A L H < S+ 0 0 16 -4,-1.7 4,-0.4 -7,-0.3 3,-0.3 0.911 107.0 49.7 -57.8 -45.0 48.5 23.6 38.4 102 103 A S H >X S+ 0 0 70 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.906 112.2 47.4 -58.4 -44.4 45.1 24.9 39.6 103 104 A N H 3X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.690 84.5 92.1 -78.7 -16.5 43.2 22.9 37.1 104 105 A L H 3X S+ 0 0 32 -4,-1.5 4,-0.6 -3,-0.3 -1,-0.2 0.846 92.3 43.9 -39.0 -46.6 45.1 19.6 37.7 105 106 A K H X4 S+ 0 0 55 -3,-0.7 3,-1.4 -4,-0.4 4,-0.3 0.986 114.3 47.4 -68.7 -55.9 42.4 18.6 40.3 106 107 A Q H >< S+ 0 0 58 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.668 96.5 76.2 -59.1 -20.6 39.4 19.7 38.2 107 108 A Y H >< S+ 0 0 9 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.854 81.3 67.4 -59.5 -36.9 40.8 17.9 35.1 108 109 A E T << S+ 0 0 154 -3,-1.4 5,-0.3 -4,-0.6 -1,-0.2 0.716 91.9 62.0 -62.1 -21.1 39.8 14.4 36.4 109 110 A S T < S+ 0 0 100 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.539 84.1 106.7 -74.4 -9.6 36.1 15.5 36.0 110 111 A L S X S- 0 0 9 -3,-2.4 3,-2.4 -4,-0.2 2,-0.7 -0.450 87.4 -83.8 -73.3 144.0 36.7 15.8 32.2 111 112 A P T 3 S+ 0 0 42 0, 0.0 -53,-0.2 0, 0.0 -1,-0.1 -0.797 112.8 1.5 -81.9 111.5 35.2 13.2 29.8 112 113 A N T 3>> + 0 0 83 -2,-0.7 4,-2.2 -4,-0.1 5,-0.5 0.126 69.1 137.4-130.1 102.5 37.3 11.0 29.8 113 114 A F T <45S+ 0 0 49 -3,-2.4 5,-0.2 -5,-0.3 -5,-0.1 0.614 95.0 47.2 -69.8 -14.8 40.4 11.5 32.1 114 115 A K T >5S+ 0 0 86 -4,-0.3 4,-1.8 -6,-0.1 -1,-0.2 0.904 120.2 33.5 -77.4 -63.8 39.8 7.8 33.0 115 116 A D T 45S+ 0 0 55 1,-0.2 -2,-0.2 2,-0.2 0, 0.0 0.947 120.8 45.9 -63.3 -56.3 39.4 6.4 29.4 116 117 A I T <5S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.795 113.9 50.5 -61.5 -31.5 41.8 8.7 27.5 117 118 A C T >4 - 0 0 6 -3,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.652 29.7-127.7 -72.4 135.0 54.5 7.1 27.4 124 125 A R H > S+ 0 0 43 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.869 109.2 53.1 -53.3 -39.7 58.0 8.1 28.4 125 126 A W H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.935 110.5 45.8 -60.6 -50.2 57.3 6.9 32.0 126 127 A D H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.920 115.8 46.8 -58.6 -47.4 56.2 3.5 30.9 127 128 A L H X S+ 0 0 57 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.886 111.5 50.7 -62.7 -44.3 59.2 3.2 28.5 128 129 A F H X S+ 0 0 2 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.918 109.1 51.3 -61.1 -46.2 61.6 4.4 31.1 129 130 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 109.7 51.1 -56.3 -41.7 60.2 1.8 33.6 130 131 A H H X S+ 0 0 111 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.927 114.3 41.5 -64.9 -46.4 60.6 -0.9 31.0 131 132 A Q H X S+ 0 0 101 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 117.4 46.9 -68.0 -45.2 64.3 -0.1 30.2 132 133 A A H X>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 4,-0.8 0.857 115.2 46.7 -66.0 -35.2 65.2 0.5 33.9 133 134 A Q H ><5S+ 0 0 55 -4,-2.4 3,-0.6 -5,-0.3 -2,-0.2 0.925 110.9 52.1 -69.7 -45.2 63.5 -2.8 34.9 134 135 A K H 3<5S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.842 109.5 50.4 -55.3 -39.6 65.2 -4.6 32.0 135 136 A A H 3<5S- 0 0 59 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.679 119.2-113.0 -73.3 -22.9 68.5 -3.3 33.3 136 137 A G T <<5S+ 0 0 39 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.585 83.1 113.5 103.8 17.4 67.8 -4.4 36.9 137 138 A L < + 0 0 59 -5,-2.6 47,-2.9 46,-0.1 2,-0.2 0.764 60.0 60.2 -90.5 -31.8 67.4 -1.0 38.6 138 139 A L B S-A 183 0A 2 -6,-0.5 45,-0.2 45,-0.3 -2,-0.0 -0.649 84.3 -93.9-109.9 158.1 63.8 -0.7 39.7 139 140 A A - 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0 0 63 3,-0.1 4,-1.5 1,-0.1 3,-0.2 0.184 360.0-120.0 -68.5 160.5 66.3 25.9 48.3 168 171 A P H > S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.864 111.0 60.3 -68.6 -33.2 67.9 23.8 45.5 169 172 A E H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.856 104.3 52.2 -58.0 -38.4 69.5 21.3 48.0 170 173 A I H > S+ 0 0 56 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 107.5 50.9 -62.4 -46.5 65.9 20.5 49.2 171 174 A L H X S+ 0 0 17 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.883 112.1 46.9 -60.2 -39.3 64.7 19.9 45.6 172 175 A E H X S+ 0 0 72 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.884 108.5 55.6 -69.8 -40.0 67.6 17.5 45.0 173 176 A S H X S+ 0 0 40 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.957 111.0 44.5 -54.0 -48.6 67.0 15.7 48.3 174 177 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.895 113.6 50.3 -65.0 -40.6 63.4 15.1 47.1 175 178 A I H X S+ 0 0 2 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.953 116.5 40.9 -59.2 -50.4 64.5 14.0 43.7 176 179 A E H X S+ 0 0 65 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.861 117.5 46.8 -67.5 -39.8 67.1 11.6 45.1 177 180 A R H X S+ 0 0 19 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.876 110.5 50.7 -75.3 -37.6 64.8 10.3 47.9 178 181 A S H < S+ 0 0 1 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.877 112.2 49.6 -65.2 -37.0 61.8 9.8 45.7 179 182 A W H >< S+ 0 0 15 -4,-1.6 3,-1.7 -5,-0.3 4,-0.4 0.906 103.8 60.1 -59.3 -44.9 64.1 7.8 43.4 180 183 A R H >< S+ 0 0 51 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.841 95.9 62.4 -53.9 -38.4 65.3 5.8 46.4 181 184 A A T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.705 107.9 41.3 -61.7 -25.8 61.7 4.6 46.9 182 185 A I T < S+ 0 0 0 -3,-1.7 -43,-2.1 -4,-0.4 -1,-0.2 0.308 84.9 118.4-109.5 10.4 61.6 2.8 43.6 183 186 A Q B < A 138 0A 74 -3,-1.2 -45,-0.3 -4,-0.4 -46,-0.1 -0.481 360.0 360.0 -75.0 145.9 65.1 1.3 43.5 184 187 A K 0 0 166 -47,-2.9 -45,-0.1 -2,-0.2 -1,-0.1 -0.261 360.0 360.0 -58.4 360.0 65.2 -2.6 43.4 185 !* 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 0.0 186 7 B D > 0 0 163 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-112.1 24.2 15.2 65.6 187 8 B L H > + 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.865 360.0 56.9 -58.7 -32.4 22.2 17.6 63.3 188 9 B A H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 105.8 46.1 -64.8 -44.0 25.6 19.3 62.7 189 10 B E H > S+ 0 0 95 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.862 109.4 56.6 -69.0 -34.6 27.2 16.0 61.4 190 11 B Q H X S+ 0 0 86 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.950 111.0 43.5 -56.5 -46.8 24.2 15.5 59.3 191 12 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.885 114.2 49.7 -69.8 -39.1 24.7 18.9 57.7 192 13 B F H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.906 110.7 49.9 -65.5 -41.1 28.5 18.3 57.3 193 14 B S H X S+ 0 0 42 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.913 109.6 51.4 -62.4 -42.5 27.9 15.0 55.7 194 15 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.870 105.3 57.7 -59.0 -37.3 25.4 16.7 53.4 195 16 B T H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.932 105.4 49.5 -61.3 -45.0 28.2 19.2 52.6 196 17 B D H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.918 112.7 46.5 -53.0 -49.6 30.4 16.4 51.4 197 18 B R H X S+ 0 0 79 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.932 115.1 44.9 -66.4 -46.0 27.8 14.9 49.2 198 19 B L H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.901 113.6 50.8 -64.3 -39.9 26.8 18.1 47.7 199 20 B X H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.840 114.5 45.1 -64.5 -36.3 30.5 19.1 47.3 200 21 B A H < S+ 0 0 42 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.860 119.3 40.0 -71.5 -40.8 31.1 15.7 45.5 201 22 B R H < S+ 0 0 152 -4,-2.6 2,-0.3 -5,-0.2 -2,-0.2 0.851 131.9 16.1 -80.9 -43.2 28.0 15.8 43.3 202 23 B E S < S- 0 0 71 -4,-2.6 5,-0.0 -5,-0.2 0, 0.0 -0.735 103.1 -85.5-116.9 170.3 28.2 19.5 42.3 203 24 B G > - 0 0 25 -2,-0.3 3,-0.8 1,-0.1 4,-0.2 -0.270 32.4-109.2 -72.4 169.1 31.3 21.7 42.9 204 25 B L G > S+ 0 0 18 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.877 121.0 61.1 -55.1 -39.4 32.3 23.5 46.1 205 26 B N G 3 S+ 0 0 101 1,-0.3 -1,-0.2 -6,-0.1 -6,-0.0 0.716 98.6 57.5 -59.8 -23.9 31.4 26.7 44.1 206 27 B Q G < S+ 0 0 31 -3,-0.8 -1,-0.3 -8,-0.1 2,-0.2 0.401 79.3 117.5 -93.4 1.3 27.8 25.5 43.8 207 28 B L < + 0 0 4 -3,-1.5 2,-0.3 -4,-0.2 3,-0.1 -0.471 35.3 168.4 -70.8 138.5 27.1 25.1 47.5 208 29 B S > - 0 0 35 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.968 46.7-115.8-140.7 161.7 24.4 27.2 49.0 209 30 B X H > S+ 0 0 10 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.913 117.8 50.6 -65.1 -38.0 22.7 27.2 52.4 210 31 B L H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 112.4 46.1 -60.8 -48.7 19.3 26.4 50.6 211 32 B K H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.860 112.0 50.9 -63.9 -40.0 20.9 23.5 48.7 212 33 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.880 107.8 53.0 -64.8 -39.9 22.6 22.1 51.8 213 34 B A H <>S+ 0 0 3 -4,-2.1 5,-2.7 -5,-0.2 4,-0.3 0.915 110.6 48.1 -60.3 -44.2 19.4 22.2 53.7 214 35 B K H ><5S+ 0 0 145 -4,-2.0 3,-2.0 3,-0.2 -2,-0.2 0.971 112.9 47.4 -56.1 -53.3 17.7 20.2 50.9 215 36 B E H 3<5S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.787 112.3 48.7 -68.7 -29.6 20.6 17.7 50.9 216 37 B A T 3<5S- 0 0 4 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.406 112.3-121.5 -83.2 2.3 20.5 17.3 54.7 217 38 B N T < 5S+ 0 0 150 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.880 72.7 120.6 52.3 46.8 16.7 16.8 54.5 218 39 B V S > - 0 0 66 -2,-0.3 4,-1.4 1,-0.1 3,-0.8 -0.383 37.5-111.1 -65.8 154.3 14.1 23.1 56.4 220 41 B A H 3> S+ 0 0 51 1,-0.3 4,-1.1 2,-0.2 3,-0.2 0.892 119.1 57.3 -54.2 -41.9 16.1 26.1 55.3 221 42 B G H 3> S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.846 99.5 58.6 -52.4 -42.0 15.4 27.6 58.8 222 43 B T H X> S+ 0 0 40 -3,-0.8 4,-1.0 1,-0.2 3,-0.7 0.917 99.9 55.1 -63.0 -44.3 17.0 24.6 60.6 223 44 B I H >X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 3,-0.6 0.886 105.7 53.3 -58.3 -35.4 20.4 25.0 58.9 224 45 B Y H 3< S+ 0 0 121 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 98.5 63.6 -73.4 -27.3 20.6 28.7 60.1 225 46 B L H << S+ 0 0 146 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.867 112.5 37.0 -52.8 -38.9 19.9 27.5 63.7 226 47 B Y H << S+ 0 0 102 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.751 129.1 22.0 -91.8 -29.0 23.3 25.6 63.4 227 48 B F < - 0 0 3 -4,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.998 60.7-143.0-141.3 142.1 25.3 28.1 61.4 228 49 B K S S- 0 0 63 -2,-0.3 2,-0.3 1,-0.1 -4,-0.1 0.763 81.3 -21.0 -71.6 -27.9 25.0 31.9 60.8 229 50 B N S > S- 0 0 75 -6,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.945 75.9 -81.6-167.7 177.8 26.1 31.7 57.1 230 51 B K H > S+ 0 0 70 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.866 121.5 58.8 -65.9 -36.6 28.0 29.6 54.5 231 52 B D H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 108.6 44.4 -58.4 -40.7 31.4 31.0 55.7 232 53 B E H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 113.2 49.8 -73.5 -47.9 30.8 29.7 59.2 233 54 B L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.902 113.5 46.6 -48.6 -50.8 29.5 26.3 58.1 234 55 B L H X S+ 0 0 8 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.861 111.2 52.5 -68.2 -36.9 32.5 25.9 55.8 235 56 B E H X S+ 0 0 108 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.968 113.9 42.1 -57.0 -53.9 34.9 27.0 58.5 236 57 B Q H X S+ 0 0 83 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.862 112.3 55.4 -64.4 -35.7 33.4 24.4 60.9 237 58 B F H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.937 106.6 50.2 -59.3 -47.4 33.3 21.8 58.1 238 59 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.906 109.7 51.6 -56.9 -44.6 37.1 22.4 57.5 239 60 B H H X S+ 0 0 110 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.853 107.8 51.6 -62.7 -39.7 37.7 21.9 61.2 240 61 B R H X S+ 0 0 28 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.854 108.2 53.3 -61.6 -38.8 35.7 18.6 61.1 241 62 B V H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.945 111.6 43.1 -64.5 -46.3 37.9 17.5 58.2 242 63 B F H X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.864 108.9 59.2 -67.3 -35.9 41.1 18.1 60.1 243 64 B S H X S+ 0 0 57 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.877 107.4 46.5 -57.7 -39.7 39.6 16.5 63.1 244 65 B X H X S+ 0 0 50 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.875 109.7 54.3 -67.8 -40.1 39.1 13.3 61.1 245 66 B F H X S+ 0 0 54 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.921 111.5 44.0 -59.4 -47.0 42.7 13.5 59.7 246 67 B X H X S+ 0 0 55 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.907 110.7 54.8 -65.7 -44.7 44.1 13.7 63.3 247 68 B A H >X S+ 0 0 60 -4,-2.1 4,-1.5 1,-0.2 3,-0.9 0.947 108.1 51.2 -48.5 -47.8 41.8 10.9 64.5 248 69 B T H 3< S+ 0 0 15 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.861 109.0 48.9 -62.2 -38.9 43.2 8.8 61.6 249 70 B L H 3< S+ 0 0 14 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.724 113.4 48.7 -72.2 -21.6 46.8 9.5 62.6 250 71 B E H X< S+ 0 0 83 -4,-1.4 3,-2.3 -3,-0.9 -2,-0.2 0.724 77.9 119.6 -88.8 -24.6 46.1 8.6 66.3 251 72 B K T 3< S- 0 0 121 -4,-1.5 18,-0.1 1,-0.3 3,-0.1 -0.159 93.6 -10.0 -59.0 131.8 44.2 5.3 65.9 252 73 B D T 3 S+ 0 0 103 1,-0.2 -1,-0.3 17,-0.0 2,-0.2 0.776 89.0 173.1 42.7 36.4 46.0 2.4 67.7 253 74 B F < - 0 0 50 -3,-2.3 2,-0.3 12,-0.1 -1,-0.2 -0.534 8.1-178.4 -64.4 136.7 49.0 4.7 68.3 254 75 B D > - 0 0 62 -2,-0.2 3,-1.0 -3,-0.1 7,-0.0 -0.885 18.2-166.9-142.8 106.3 51.6 2.9 70.5 255 76 B E T 3 S+ 0 0 138 -2,-0.3 -1,-0.1 1,-0.2 7,-0.1 0.695 86.2 65.5 -72.2 -15.6 54.8 4.8 71.5 256 77 B T T 3 S+ 0 0 122 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.789 86.9 88.5 -73.3 -27.7 56.5 1.6 72.8 257 78 B K S < S- 0 0 88 -3,-1.0 5,-0.1 1,-0.1 -3,-0.0 -0.266 94.8 -86.9 -69.2 157.2 56.5 0.1 69.3 258 79 B P >> - 0 0 84 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.260 39.3-112.0 -59.1 153.1 59.4 0.8 66.8 259 80 B F H 3> S+ 0 0 40 1,-0.3 4,-2.6 2,-0.2 3,-0.4 0.886 117.5 57.4 -59.8 -38.0 59.2 3.9 64.7 260 81 B F H 3> S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.894 107.3 48.3 -56.1 -40.5 58.7 1.9 61.6 261 82 B E H <> S+ 0 0 71 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.726 108.6 53.0 -76.7 -28.4 55.6 0.2 63.1 262 83 B Q H X S+ 0 0 7 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.920 113.0 45.1 -62.0 -48.4 54.2 3.5 64.2 263 84 B Y H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 110.7 52.4 -62.6 -46.4 54.6 4.7 60.6 264 85 B R H X S+ 0 0 66 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.909 108.9 52.2 -56.2 -40.5 53.2 1.5 59.2 265 86 B Q H X S+ 0 0 45 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.900 109.2 47.0 -64.2 -44.9 50.2 2.0 61.5 266 87 B X H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.915 111.7 52.6 -65.7 -38.4 49.5 5.6 60.3 267 88 B W H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 111.8 45.2 -59.2 -47.9 49.8 4.5 56.7 268 89 B K H X S+ 0 0 40 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.874 108.4 56.8 -68.2 -35.5 47.3 1.7 57.2 269 90 B N H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.891 110.1 45.1 -61.3 -37.9 44.9 4.0 59.1 270 91 B I H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.956 113.1 50.8 -69.3 -51.3 44.8 6.3 56.1 271 92 B W H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.940 115.7 40.0 -45.8 -56.2 44.4 3.5 53.6 272 93 B Y H X S+ 0 0 84 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.835 112.2 56.1 -76.9 -29.5 41.5 1.9 55.4 273 94 B F H X S+ 0 0 43 -4,-2.0 4,-1.0 -5,-0.3 3,-0.2 0.953 109.7 46.7 -60.4 -49.0 39.8 5.2 56.3 274 95 B L H >< S+ 0 0 6 -4,-2.7 3,-0.6 1,-0.2 7,-0.3 0.885 109.3 54.5 -64.4 -35.9 39.8 6.1 52.6 275 96 B Q H 3< S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.8 45.6 -58.8 -39.8 38.4 2.6 51.7 276 97 B E H 3< S+ 0 0 149 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.632 113.9 48.9 -80.4 -18.0 35.6 3.1 54.1 277 98 B N S+ 0 0 83 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.814 78.3 51.5 -66.5 -30.8 34.4 7.0 49.3 279 100 B T H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.935 111.0 47.8 -72.2 -43.2 32.9 10.5 49.3 280 101 B I H > S+ 0 0 11 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.925 111.2 52.6 -58.9 -44.0 35.7 11.9 51.5 281 102 B L H >< S+ 0 0 32 -4,-2.3 3,-1.3 -7,-0.3 4,-0.3 0.956 111.2 45.5 -58.0 -51.0 38.2 10.1 49.2 282 103 B S H 3< S+ 0 0 78 -4,-2.5 3,-0.3 1,-0.2 4,-0.3 0.835 114.4 50.2 -62.8 -28.7 36.8 11.7 46.1 283 104 B N H 3X S+ 0 0 2 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.439 79.1 101.5 -87.4 -1.2 36.6 15.1 47.9 284 105 B L H 4 S+ 0 0 42 -3,-0.3 3,-1.3 -4,-0.3 4,-0.4 0.907 109.8 56.7 -62.6 -44.3 41.6 17.6 46.6 286 107 B Q H >4 S+ 0 0 54 -4,-0.3 3,-1.4 1,-0.2 4,-0.3 0.784 92.5 70.3 -56.8 -33.0 38.5 19.9 46.9 287 108 B Y H >< S+ 0 0 2 -4,-1.4 3,-1.6 -3,-0.4 -1,-0.2 0.805 86.9 66.1 -59.2 -28.5 39.1 20.4 50.6 288 109 B E T << S+ 0 0 75 -3,-1.3 -1,-0.3 -4,-0.5 6,-0.2 0.779 96.3 56.7 -65.0 -26.6 42.2 22.5 49.8 289 110 B S T < S+ 0 0 90 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.494 77.8 117.5 -79.4 -8.5 39.9 25.1 48.3 290 111 B L S X S- 0 0 5 -3,-1.6 3,-1.8 -4,-0.3 4,-0.4 -0.406 73.9-125.8 -57.9 134.7 37.9 25.5 51.6 291 112 B P T 3 S+ 0 0 91 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.886 107.1 43.2 -54.0 -39.3 38.4 29.1 52.7 292 113 B N T 3> S+ 0 0 18 1,-0.2 4,-1.8 -61,-0.1 5,-0.2 0.331 88.4 97.8 -88.0 10.3 39.7 28.1 56.2 293 114 B F H <> S+ 0 0 21 -3,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.924 85.2 37.8 -75.8 -49.7 42.0 25.3 55.0 294 115 B K H > S+ 0 0 55 -4,-0.4 4,-2.8 -3,-0.3 5,-0.3 0.960 117.7 51.4 -60.8 -53.4 45.4 26.9 54.9 295 116 B D H > S+ 0 0 96 -4,-0.4 4,-1.2 1,-0.2 -2,-0.2 0.802 115.6 41.9 -57.2 -35.0 44.8 29.0 58.1 296 117 B I H < S+ 0 0 45 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.933 113.8 53.0 -74.7 -47.5 43.7 25.9 60.0 297 118 B C H >< S+ 0 0 51 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.904 111.6 44.2 -53.4 -51.3 46.5 23.7 58.6 298 119 B K H 3< S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.936 107.2 58.9 -63.3 -46.7 49.3 26.1 59.5 299 120 B N T 3< S+ 0 0 111 -4,-1.2 2,-1.0 -5,-0.3 -1,-0.2 0.386 77.6 104.6 -72.4 4.6 48.0 26.9 63.1 300 121 B I < - 0 0 50 -3,-1.0 3,-0.4 -4,-0.4 2,-0.3 -0.767 54.0-172.4 -84.3 98.6 48.2 23.1 64.2 301 122 B K + 0 0 77 -2,-1.0 -2,-0.0 1,-0.2 -3,-0.0 -0.715 60.7 3.8 -84.3 141.5 51.2 22.9 66.4 302 123 B N S S+ 0 0 120 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.0 0.759 78.5 169.0 64.7 36.9 52.5 19.5 67.6 303 124 B C > - 0 0 22 -3,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.181 53.9 -89.6 -70.4 173.8 50.2 17.1 65.8 304 125 B R H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.878 126.8 47.2 -57.8 -39.5 50.9 13.4 65.8 305 126 B W H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.919 109.9 51.8 -66.8 -44.6 53.0 13.5 62.6 306 127 B D H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.902 113.3 45.9 -61.4 -38.4 55.0 16.5 63.8 307 128 B L H X S+ 0 0 70 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.875 109.9 53.6 -69.2 -42.8 55.8 14.7 67.1 308 129 B F H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.951 109.6 48.4 -56.4 -49.2 56.7 11.4 65.3 309 130 B C H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.863 111.8 49.6 -60.0 -39.6 59.2 13.2 63.0 310 131 B H H X S+ 0 0 110 -4,-1.6 4,-2.9 -5,-0.2 -2,-0.2 0.971 115.4 41.8 -64.9 -54.3 60.8 15.0 66.0 311 132 B Q H X S+ 0 0 61 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.895 117.1 48.2 -53.2 -49.0 61.2 11.7 68.1 312 133 B A H <>S+ 0 0 0 -4,-2.9 5,-2.4 -5,-0.3 6,-0.7 0.879 113.5 45.8 -69.7 -38.2 62.3 9.8 65.0 313 134 B Q H ><5S+ 0 0 48 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.905 111.4 54.1 -64.0 -43.6 64.8 12.4 64.0 314 135 B K H 3<5S+ 0 0 174 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 106.3 51.5 -60.1 -38.4 66.0 12.6 67.7 315 136 B A T 3<5S- 0 0 57 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.525 120.2-113.7 -73.0 -9.3 66.6 8.8 67.6 316 137 B G T < 5S+ 0 0 40 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.587 86.2 111.1 90.2 14.3 68.7 9.3 64.4 317 138 B L < + 0 0 57 -5,-2.4 49,-2.8 -6,-0.2 -4,-0.2 0.882 62.0 57.3 -89.0 -43.4 66.3 7.4 62.0 318 139 B L B S-B 365 0B 4 -6,-0.7 47,-0.2 47,-0.3 -2,-0.1 -0.534 86.5 -98.1 -97.7 157.9 64.8 10.1 59.7 319 140 B A - 0 0 3 45,-1.6 2,-1.8 -2,-0.2 47,-0.1 -0.349 37.5-113.1 -62.3 147.0 66.2 12.7 57.3 320 141 B E S S+ 0 0 120 46,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.642 75.4 124.5 -83.3 76.3 66.6 16.2 58.7 321 142 B L S S- 0 0 25 -2,-1.8 5,-0.0 43,-0.1 -3,-0.0 -0.900 71.5 -81.1-125.3 160.8 64.0 17.6 56.3 322 143 B S > - 0 0 54 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.162 39.6-112.8 -65.5 160.6 60.9 19.6 57.3 323 144 B E H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.826 115.5 55.6 -68.3 -34.4 57.9 17.6 58.5 324 145 B D H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.867 109.6 45.7 -61.3 -43.6 55.9 18.6 55.4 325 146 B I H > S+ 0 0 17 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.892 112.0 51.2 -72.5 -40.3 58.5 17.3 53.0 326 147 B L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.4 0.943 110.0 50.4 -58.4 -45.2 58.8 14.1 55.0 327 148 B F H <>S+ 0 0 56 -4,-2.4 5,-2.7 1,-0.2 3,-0.4 0.919 109.7 50.3 -59.4 -46.3 55.1 13.6 54.9 328 149 B L H <5S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.758 112.3 46.3 -62.9 -33.9 54.9 14.1 51.1 329 150 B L H <5S+ 0 0 3 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.709 130.8 15.3 -77.6 -22.4 57.7 11.6 50.5 330 151 B S T ><5S+ 0 0 0 -4,-1.4 3,-2.3 -3,-0.4 4,-0.4 0.691 126.8 27.3-121.8 -90.8 56.1 9.0 52.9 331 152 B L T >>5S+ 0 0 0 1,-0.3 3,-1.8 -5,-0.2 4,-0.7 0.816 109.8 70.9 -58.4 -29.8 52.5 9.0 54.3 332 153 B K H 3> S+ 0 0 3 -3,-2.3 4,-2.7 -6,-0.3 -1,-0.3 0.837 90.5 59.3 -58.7 -32.7 51.8 7.8 49.2 334 155 B A H <> S+ 0 0 0 -3,-1.8 4,-1.3 -4,-0.4 -1,-0.2 0.898 110.1 41.2 -57.7 -45.7 48.7 6.3 51.0 335 156 B I H < S+ 0 0 42 -4,-0.7 3,-0.2 -3,-0.3 -2,-0.2 0.923 114.2 53.9 -67.7 -41.3 46.6 9.1 49.7 336 157 B N H < S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 115.6 38.0 -59.1 -43.8 48.3 8.9 46.3 337 158 B L H < S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 2,-0.2 0.659 84.8 120.1 -83.4 -20.5 47.5 5.2 46.0 338 159 B A < + 0 0 14 -4,-1.3 2,-0.3 -3,-0.2 3,-0.1 -0.305 35.4 120.5 -59.8 111.3 44.0 5.2 47.5 339 160 B S S > S- 0 0 44 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.942 71.1-105.5-158.5 159.3 41.5 4.0 44.9 340 161 B D H > S+ 0 0 117 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.895 118.6 51.7 -53.7 -48.2 39.0 1.0 44.6 341 162 B A H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 112.7 46.9 -61.1 -32.7 41.1 -1.0 42.2 342 163 B K H > S+ 0 0 25 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.779 105.7 56.9 -87.9 -21.3 44.1 -0.7 44.5 343 164 B F H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.957 111.6 45.2 -62.7 -48.1 42.1 -1.6 47.7 344 165 B I H X S+ 0 0 105 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.877 114.2 48.0 -60.4 -45.3 41.2 -4.9 45.9 345 166 B D H X S+ 0 0 77 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.884 113.3 45.9 -65.7 -42.4 44.7 -5.5 44.6 346 167 B F H < S+ 0 0 2 -4,-2.0 7,-0.3 2,-0.2 -1,-0.2 0.810 110.6 52.2 -75.1 -33.0 46.5 -4.9 48.0 347 168 B D H < S+ 0 0 119 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.875 115.6 43.1 -67.4 -35.2 44.0 -7.0 50.0 348 169 B L H < S+ 0 0 134 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.839 129.8 26.7 -74.5 -37.0 44.7 -9.8 47.4 349 170 B K >X + 0 0 124 -4,-2.4 3,-2.1 -5,-0.1 4,-0.8 -0.697 66.4 170.8-128.3 77.2 48.5 -9.3 47.4 350 171 B P H 3> S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.723 74.2 76.2 -63.3 -27.0 49.4 -7.7 50.8 351 172 B E H 3> S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.841 95.2 50.0 -38.4 -42.3 53.0 -8.2 49.8 352 173 B I H <> S+ 0 0 39 -3,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.893 109.2 49.1 -72.7 -41.7 52.4 -5.2 47.6 353 174 B L H X S+ 0 0 4 -4,-0.8 4,-1.9 -7,-0.3 -2,-0.2 0.898 112.9 47.4 -63.5 -41.4 50.9 -3.0 50.4 354 175 B E H X S+ 0 0 61 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.886 111.0 52.7 -69.8 -34.2 53.8 -3.9 52.7 355 176 B S H X S+ 0 0 36 -4,-1.7 4,-3.1 -5,-0.2 5,-0.2 0.926 109.5 47.8 -64.9 -48.1 56.3 -3.1 49.9 356 177 B V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.859 112.2 50.3 -60.6 -37.3 54.8 0.3 49.3 357 178 B I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.933 114.1 43.4 -66.9 -46.9 54.8 1.0 53.1 358 179 B E H X S+ 0 0 70 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.915 114.8 49.7 -67.4 -43.7 58.4 0.1 53.5 359 180 B R H X S+ 0 0 13 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.912 110.1 49.9 -61.3 -39.2 59.5 1.9 50.3 360 181 B S H < S+ 0 0 0 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.868 113.7 46.7 -70.9 -33.4 57.7 5.0 51.3 361 182 B W H >< S+ 0 0 19 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.901 105.2 60.4 -64.6 -46.4 59.5 4.8 54.7 362 183 B R H >< S+ 0 0 62 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.857 95.9 63.0 -48.2 -39.8 62.8 4.1 52.9 363 184 B A T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.9 43.8 -61.8 -26.1 62.4 7.5 51.2 364 185 B I T < S+ 0 0 0 -3,-1.8 -45,-1.6 -4,-0.3 2,-0.3 0.113 82.8 122.7-110.9 22.0 62.6 9.3 54.6 365 186 B Q B < B 318 0B 47 -3,-1.4 -47,-0.3 -47,-0.2 -48,-0.1 -0.662 360.0 360.0 -81.5 138.5 65.5 7.4 56.2 366 187 B K 0 0 164 -49,-2.8 -48,-0.1 -2,-0.3 -1,-0.1 0.890 360.0 360.0 -51.7 360.0 68.6 9.5 57.2