==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 06-NOV-08 3F6O . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR, ARSR FAMILY . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP. RHA1; . AUTHOR A.DONG,X.XU,H.ZHENG,A.M.EDWARDS,A.JOACHIMIAK,A.SAVCHENKO, . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 76.6 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 . 20 10.6 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 . 2 1.1 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 0 0 1 0 3 0 1 1 0 0 0 2 0 0 0 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 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 222 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.0 8.1 43.8 7.6 2 2 A A - 0 0 57 1,-0.1 83,-0.0 86,-0.0 0, 0.0 -0.255 360.0 -88.3 -60.6 150.6 7.5 40.7 9.9 3 3 A Q - 0 0 78 1,-0.1 -1,-0.1 78,-0.1 5,-0.0 -0.245 57.4 -89.0 -52.3 147.6 5.5 37.7 8.4 4 4 A Y >> - 0 0 158 1,-0.1 4,-0.9 -3,-0.1 3,-0.9 -0.389 36.9-126.0 -61.8 141.5 1.7 38.1 9.1 5 5 A P H 3> S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.862 101.8 65.8 -63.6 -34.5 0.9 36.6 12.4 6 6 A E H 3> S+ 0 0 123 1,-0.3 4,-0.9 2,-0.2 -2,-0.0 0.782 98.0 55.0 -61.6 -28.6 -1.9 34.2 11.2 7 7 A Q H <> S+ 0 0 141 -3,-0.9 4,-1.0 1,-0.2 -1,-0.3 0.913 111.1 44.7 -66.9 -40.7 0.6 32.2 9.2 8 8 A L H X S+ 0 0 5 -4,-0.9 4,-2.5 -3,-0.5 5,-0.3 0.823 99.5 69.8 -75.5 -32.4 2.8 31.6 12.3 9 9 A N H X S+ 0 0 45 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.937 105.5 38.2 -50.8 -52.9 -0.1 30.7 14.6 10 10 A G H X S+ 0 0 24 -4,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.825 112.8 57.2 -71.2 -34.2 -0.9 27.4 13.0 11 11 A I H X S+ 0 0 14 -4,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.945 113.7 39.3 -60.2 -48.9 2.8 26.5 12.3 12 12 A F H X S+ 0 0 0 -4,-2.5 4,-0.7 96,-0.2 3,-0.3 0.903 111.7 56.8 -71.6 -37.5 3.6 26.8 16.0 13 13 A Q H >< S+ 0 0 58 -4,-2.5 3,-0.8 -5,-0.3 4,-0.3 0.871 102.8 57.2 -58.4 -35.5 0.4 25.2 17.2 14 14 A A H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.902 105.6 49.7 -61.5 -41.2 1.3 22.1 15.0 15 15 A L H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.565 90.9 80.2 -75.2 -10.2 4.6 21.8 16.9 16 16 A A T << S+ 0 0 10 -3,-0.8 -1,-0.2 -4,-0.7 90,-0.2 0.666 81.1 77.1 -71.6 -16.0 2.9 22.0 20.4 17 17 A D S <> S- 0 0 36 -3,-0.9 4,-2.3 -4,-0.3 5,-0.2 -0.826 70.9-148.0-101.5 131.7 1.9 18.3 20.1 18 18 A P H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.811 98.5 54.7 -68.6 -31.6 4.4 15.5 20.8 19 19 A T H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 110.4 46.6 -62.3 -47.7 2.8 13.1 18.3 20 20 A R H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 111.4 50.5 -62.9 -43.1 3.0 15.7 15.6 21 21 A R H X S+ 0 0 32 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.911 111.3 50.3 -60.9 -39.3 6.7 16.5 16.4 22 22 A A H X S+ 0 0 49 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.872 109.7 49.4 -64.5 -42.1 7.4 12.7 16.3 23 23 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.917 110.7 49.8 -62.1 -45.7 5.8 12.3 12.9 24 24 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.894 107.7 55.2 -61.3 -38.6 7.8 15.2 11.6 25 25 A G H X S+ 0 0 13 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.919 111.0 45.2 -58.5 -43.0 11.0 13.6 13.0 26 26 A R H >< S+ 0 0 77 -4,-2.1 3,-1.3 1,-0.2 4,-0.4 0.917 110.8 51.6 -66.4 -46.7 10.2 10.5 11.0 27 27 A L H >< S+ 0 0 2 -4,-2.6 3,-0.7 1,-0.3 47,-0.5 0.717 97.1 68.4 -68.2 -18.3 9.3 12.4 7.8 28 28 A S H 3< S+ 0 0 9 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.843 97.6 54.3 -64.3 -30.1 12.6 14.2 8.1 29 29 A R T << S- 0 0 187 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.629 130.8 -71.8 -76.9 -14.9 14.2 10.7 7.4 30 30 A G < - 0 0 22 -3,-0.7 -1,-0.3 -4,-0.4 156,-0.0 -0.743 67.8 -43.3 141.0 172.1 12.0 10.4 4.2 31 31 A P + 0 0 93 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.133 52.8 172.9 -70.3 168.0 8.4 9.8 3.0 32 32 A A E -A 72 0A 7 40,-1.8 40,-2.9 38,-0.0 2,-0.2 -0.974 31.9-102.5-164.9 159.0 6.0 7.3 4.5 33 33 A T E > -A 71 0A 35 -2,-0.3 4,-2.3 38,-0.2 38,-0.2 -0.555 36.2-112.7 -84.9 158.1 2.4 6.1 4.4 34 34 A V H > S+ 0 0 12 36,-1.9 4,-2.4 2,-0.2 5,-0.2 0.899 117.8 55.6 -53.7 -42.0 -0.0 7.0 7.2 35 35 A S H > S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.898 109.5 46.7 -65.5 -35.7 -0.2 3.3 8.3 36 36 A E H >4 S+ 0 0 83 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.941 113.1 48.6 -65.2 -47.9 3.5 3.3 8.7 37 37 A L H 3< S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.818 107.9 55.9 -63.3 -31.8 3.5 6.6 10.6 38 38 A A H >< S+ 0 0 23 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.725 82.2 88.6 -75.3 -25.2 0.7 5.5 13.0 39 39 A K T << S+ 0 0 172 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 0.817 83.6 52.0 -47.7 -44.9 2.5 2.3 14.3 40 40 A P T 3 S+ 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.624 98.7 83.2 -68.1 -8.7 4.4 3.9 17.3 41 41 A F < - 0 0 47 -3,-2.1 2,-1.2 -4,-0.1 7,-0.1 -0.789 66.4-146.9-112.0 133.7 1.2 5.5 18.7 42 42 A D + 0 0 170 -2,-0.4 2,-0.3 2,-0.0 -3,-0.1 -0.721 64.5 101.8 -95.4 80.2 -1.5 4.1 20.9 43 43 A M S S- 0 0 66 -2,-1.2 2,-0.1 -5,-0.2 -2,-0.1 -0.944 78.7 -93.8-148.8 158.1 -4.5 6.0 19.6 44 44 A A >> - 0 0 63 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.391 41.3-108.9 -70.9 151.3 -7.3 5.0 17.3 45 45 A L H 3> S+ 0 0 103 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.857 117.3 57.6 -53.8 -41.5 -6.7 5.9 13.6 46 46 A P H 3> S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.913 108.1 47.8 -54.7 -43.0 -9.4 8.7 13.7 47 47 A S H <> S+ 0 0 49 -3,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.883 112.9 48.5 -64.8 -38.2 -7.4 10.4 16.5 48 48 A F H >X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.905 105.3 58.2 -67.7 -41.1 -4.2 10.0 14.5 49 49 A M H 3X S+ 0 0 34 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.806 97.3 62.3 -58.0 -31.7 -5.8 11.3 11.4 50 50 A K H 3X S+ 0 0 145 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.909 106.6 45.4 -60.0 -40.1 -6.5 14.6 13.3 51 51 A H H S+ 0 0 0 -4,-2.6 5,-1.7 2,-0.2 6,-1.2 0.893 114.2 43.9 -58.7 -41.6 0.1 18.9 9.9 56 56 A E H ><5S+ 0 0 62 -4,-2.4 3,-1.5 4,-0.2 -2,-0.2 0.956 113.2 49.9 -71.2 -46.7 -1.2 19.2 6.3 57 57 A D H 3<5S+ 0 0 144 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.856 110.8 49.9 -61.0 -37.9 -3.4 22.2 7.0 58 58 A S T 3<5S- 0 0 22 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.481 118.1-112.5 -81.0 -1.6 -0.6 24.0 8.7 59 59 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 -4,-0.3 18,-0.2 0.480 84.6 117.2 90.7 1.8 1.8 23.4 5.8 60 60 A W S S-B 69 0A 147 3,-3.1 3,-1.6 -2,-0.5 2,-0.3 -0.914 70.4 -41.2-137.3 109.4 -4.4 6.5 -3.9 67 67 A G T 3 S- 0 0 54 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.583 123.8 -26.2 71.8-130.3 -6.9 3.8 -3.0 68 68 A R T 3 S+ 0 0 110 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.2 0.327 121.7 95.2 -94.6 6.1 -6.6 3.0 0.7 69 69 A V E < - B 0 66A 78 -3,-1.6 -3,-3.1 -35,-0.1 2,-0.5 -0.867 52.5-169.8-107.8 128.4 -3.0 4.2 0.8 70 70 A R E - B 0 65A 67 -2,-0.5 -36,-1.9 -5,-0.2 2,-0.3 -0.959 9.6-156.2-119.8 112.2 -2.0 7.8 1.8 71 71 A T E -AB 33 64A 72 -7,-2.8 -7,-2.2 -2,-0.5 2,-0.4 -0.651 9.9-161.5 -88.1 145.7 1.6 8.8 1.2 72 72 A C E +AB 32 63A 3 -40,-2.9 -40,-1.8 -2,-0.3 2,-0.3 -0.966 11.0 178.6-128.3 142.2 3.1 11.7 3.3 73 73 A A E - B 0 62A 41 -11,-2.7 -11,-2.7 -2,-0.4 -45,-0.1 -0.999 29.7-110.9-142.5 148.3 6.1 13.9 2.9 74 74 A I E - B 0 61A 24 -47,-0.5 2,-0.4 -2,-0.3 -13,-0.3 -0.329 24.6-143.0 -73.9 150.0 7.6 16.7 4.9 75 75 A E - 0 0 40 -15,-2.7 4,-0.3 1,-0.1 -1,-0.0 -0.894 2.1-152.8-110.1 149.5 7.5 20.3 3.6 76 76 A K S >> S+ 0 0 71 -2,-0.4 4,-1.5 1,-0.1 3,-0.8 0.748 76.1 82.3 -96.1 -22.8 10.4 22.7 4.2 77 77 A E H 3> S+ 0 0 123 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.882 88.7 52.5 -53.9 -48.3 8.6 26.1 4.2 78 78 A P H 3> S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.855 105.8 56.5 -59.7 -31.9 7.4 26.0 7.9 79 79 A F H <> S+ 0 0 6 -3,-0.8 4,-2.6 -4,-0.3 -2,-0.2 0.921 108.0 48.5 -57.4 -43.1 11.0 25.3 9.0 80 80 A T H X S+ 0 0 95 -4,-1.5 4,-2.7 -3,-0.3 -1,-0.2 0.911 109.8 51.5 -64.3 -43.7 12.0 28.4 7.2 81 81 A A H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.911 111.6 46.1 -59.5 -47.1 9.2 30.4 8.8 82 82 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.948 113.4 49.6 -61.9 -51.1 10.2 29.2 12.4 83 83 A E H X S+ 0 0 90 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.916 111.0 51.2 -49.8 -48.2 13.9 30.0 11.7 84 84 A A H X S+ 0 0 49 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.891 111.1 45.6 -60.0 -45.6 13.0 33.4 10.4 85 85 A W H X S+ 0 0 13 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.934 114.9 48.0 -67.2 -45.4 10.9 34.4 13.5 86 86 A L H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 3,-0.3 0.934 110.3 51.3 -56.9 -50.4 13.5 33.1 15.9 87 87 A A H X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.840 105.7 56.5 -58.3 -38.2 16.3 34.9 14.0 88 88 A E H X S+ 0 0 79 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.894 110.9 42.7 -61.4 -42.5 14.4 38.2 14.2 89 89 A Q H X S+ 0 0 3 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.918 113.6 51.8 -71.5 -44.1 14.1 37.9 18.0 90 90 A Q H X S+ 0 0 40 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.846 106.1 54.7 -61.6 -33.7 17.7 36.9 18.4 91 91 A E H X S+ 0 0 139 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.907 109.1 48.6 -62.6 -43.1 18.8 39.9 16.2 92 92 A L H < S+ 0 0 37 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.891 113.1 47.4 -62.1 -42.5 17.0 42.2 18.6 93 93 A W H >< S+ 0 0 120 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.929 114.9 44.1 -63.3 -49.4 18.6 40.5 21.6 94 94 A E H 3< S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.660 110.8 55.7 -72.8 -19.6 22.2 40.6 20.2 95 95 A S T 3< S+ 0 0 68 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.363 75.0 131.3 -96.5 5.3 21.9 44.2 19.0 96 96 A R < 0 0 77 -3,-1.1 27,-0.1 -4,-0.2 -3,-0.1 -0.343 360.0 360.0 -58.5 136.3 20.9 45.6 22.4 97 97 A T 0 0 187 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.797 360.0 360.0-113.4 360.0 23.0 48.7 23.2 98 !* 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 99 6 B E > 0 0 117 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.5 6.1 18.0 27.9 100 7 B Q H > + 0 0 105 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.867 360.0 43.6 -90.3 -45.5 8.6 20.9 27.8 101 8 B L H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.786 107.8 65.7 -66.8 -26.9 8.7 21.6 24.1 102 9 B N H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.959 107.5 37.8 -57.5 -53.8 4.9 21.2 24.2 103 10 B G H X S+ 0 0 20 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.877 114.3 55.0 -64.7 -41.8 4.6 24.3 26.4 104 11 B I H X S+ 0 0 4 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.923 115.5 38.6 -57.3 -47.4 7.3 26.3 24.6 105 12 B F H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 -89,-0.2 0.865 111.8 56.6 -77.4 -36.2 5.6 25.8 21.2 106 13 B Q H >< S+ 0 0 60 -4,-2.4 3,-1.0 -5,-0.3 4,-0.3 0.902 105.7 53.8 -59.5 -37.5 2.1 26.3 22.6 107 14 B A H >< S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.925 106.9 51.1 -59.0 -43.2 3.3 29.7 23.9 108 15 B L H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -96,-0.2 0.562 91.0 78.6 -72.7 -10.5 4.5 30.6 20.4 109 16 B A T << S+ 0 0 10 -3,-1.0 -1,-0.2 -4,-0.6 -96,-0.2 0.681 82.9 75.3 -74.6 -14.7 1.1 29.7 18.9 110 17 B D S <> S- 0 0 35 -3,-1.2 4,-2.2 -4,-0.3 5,-0.1 -0.863 71.4-148.0-102.0 133.4 -0.4 33.0 20.1 111 18 B P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.806 98.5 54.2 -67.6 -34.6 0.4 36.3 18.4 112 19 B T H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 110.4 47.9 -62.5 -43.7 0.1 38.4 21.5 113 20 B R H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 110.5 50.8 -66.3 -45.0 2.6 36.2 23.2 114 21 B R H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.908 110.9 49.1 -52.6 -44.6 5.0 36.3 20.2 115 22 B A H X S+ 0 0 45 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.865 109.7 51.8 -67.8 -37.0 4.8 40.2 20.2 116 23 B V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.919 109.5 49.2 -63.5 -42.2 5.5 40.3 24.0 117 24 B L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.889 108.3 55.3 -66.4 -36.2 8.6 38.0 23.4 118 25 B G H X S+ 0 0 6 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.936 110.4 44.4 -54.9 -50.5 9.6 40.4 20.6 119 26 B R H >< S+ 0 0 90 -4,-2.1 3,-1.5 1,-0.2 4,-0.4 0.929 112.2 51.8 -63.1 -45.0 9.5 43.4 23.0 120 27 B L H >< S+ 0 0 1 -4,-2.6 3,-0.7 1,-0.3 47,-0.5 0.715 97.7 67.0 -67.4 -24.8 11.3 41.5 25.8 121 28 B S H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.777 98.1 53.9 -60.2 -28.5 14.1 40.6 23.4 122 29 B R T << S- 0 0 143 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.610 132.1 -61.8 -79.2 -13.0 14.9 44.3 23.3 123 30 B G S < S- 0 0 8 -3,-0.7 -1,-0.3 -4,-0.4 -30,-0.0 -0.695 70.4 -51.6 142.6 165.2 15.2 44.3 27.2 124 31 B P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.128 54.1-178.2 -67.9 163.8 13.2 43.7 30.4 125 32 B A E -C 165 0B 1 40,-2.0 40,-3.2 4,-0.0 2,-0.1 -0.988 27.7-108.5-158.9 151.0 9.9 45.4 30.9 126 33 B T E > -C 164 0B 26 -2,-0.3 4,-2.7 38,-0.3 38,-0.2 -0.430 35.8-112.8 -75.2 155.8 7.1 45.8 33.4 127 34 B V H > S+ 0 0 10 36,-2.2 4,-2.5 1,-0.2 5,-0.2 0.907 120.3 56.8 -51.2 -45.9 3.7 44.1 32.7 128 35 B S H > S+ 0 0 94 35,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.899 109.3 44.5 -53.3 -46.1 2.3 47.7 32.4 129 36 B E H >4 S+ 0 0 97 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.920 114.8 48.7 -63.8 -47.0 4.9 48.6 29.7 130 37 B L H 3< S+ 0 0 4 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.825 107.8 54.9 -63.0 -34.6 4.2 45.3 27.9 131 38 B A H >< S+ 0 0 20 -4,-2.5 3,-1.5 1,-0.2 5,-0.3 0.750 87.3 86.2 -71.8 -25.0 0.4 45.7 28.0 132 39 B K T << S+ 0 0 129 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.800 82.6 51.0 -50.3 -46.3 0.6 49.1 26.3 133 40 B P T 3 S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.695 98.9 79.6 -67.8 -15.7 0.5 48.1 22.6 134 41 B F S < S- 0 0 54 -3,-1.5 2,-1.2 -4,-0.2 7,-0.0 -0.703 70.0-142.3-104.5 141.6 -2.5 45.8 22.9 135 42 B D + 0 0 177 -2,-0.3 2,-0.4 2,-0.0 -3,-0.1 -0.453 64.4 122.4 -90.7 60.5 -6.2 46.7 23.0 136 43 B M S S- 0 0 65 -2,-1.2 -2,-0.1 -5,-0.3 2,-0.1 -0.948 71.2-102.5-131.8 140.1 -6.9 44.0 25.5 137 44 B A > - 0 0 59 -2,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.380 36.8-119.7 -54.3 135.7 -8.4 43.9 29.0 138 45 B L H > S+ 0 0 96 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.871 112.1 56.5 -48.4 -45.6 -5.6 43.6 31.6 139 46 B P H > S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.911 109.5 45.2 -57.8 -43.6 -7.0 40.3 32.9 140 47 B S H > S+ 0 0 66 -3,-0.5 4,-1.1 2,-0.2 3,-0.2 0.922 114.8 49.4 -60.8 -44.2 -6.8 38.7 29.5 141 48 B F H >X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 3,-0.8 0.930 106.3 55.2 -60.3 -47.1 -3.3 40.2 29.0 142 49 B M H 3X S+ 0 0 68 -4,-3.4 4,-3.1 1,-0.3 -1,-0.2 0.811 101.1 59.6 -53.5 -37.2 -2.1 38.8 32.4 143 50 B K H 3X S+ 0 0 80 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.3 0.840 104.7 49.0 -63.5 -35.2 -3.1 35.4 31.3 144 51 B H H S+ 0 0 0 -4,-2.4 5,-1.7 2,-0.2 6,-1.3 0.908 114.2 43.4 -60.1 -41.4 4.7 32.7 29.1 149 56 B E H ><5S+ 0 0 81 -4,-2.4 3,-0.9 4,-0.2 -2,-0.2 0.941 114.2 49.2 -68.9 -46.0 6.1 32.4 32.7 150 57 B D H 3<5S+ 0 0 123 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.837 111.1 50.0 -64.1 -36.0 4.6 29.0 33.2 151 58 B S H 3<5S- 0 0 23 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.594 118.0-111.7 -77.3 -14.7 6.0 27.6 29.9 152 59 B G T <<5S+ 0 0 30 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.479 85.9 116.0 99.2 2.7 9.5 29.0 30.8 153 60 B W S -D 162 0B 145 3,-2.2 3,-1.9 -2,-0.4 2,-0.3 -0.969 69.1 -36.3-137.1 122.7 8.4 44.4 44.1 160 67 B G T 3 S- 0 0 53 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.483 126.3 -25.2 65.9-123.0 5.8 46.8 45.5 161 68 B R T 3 S+ 0 0 240 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.162 119.6 90.9-104.6 15.3 3.2 47.3 42.8 162 69 B V E < - D 0 159B 74 -3,-1.9 -3,-2.2 -35,-0.0 2,-0.6 -0.951 53.3-163.0-123.9 122.7 5.4 46.5 39.8 163 70 B R E - D 0 158B 85 -2,-0.5 -36,-2.2 -5,-0.2 2,-0.4 -0.918 14.7-159.2-104.6 116.5 6.0 43.1 38.1 164 71 B T E -CD 126 157B 65 -7,-2.8 -7,-1.7 -2,-0.6 2,-0.4 -0.821 5.5-156.3-100.5 136.2 9.1 43.2 35.9 165 72 B C E -CD 125 156B 0 -40,-3.2 -40,-2.0 -2,-0.4 2,-0.4 -0.863 10.3-175.1-114.7 141.8 9.5 40.6 33.2 166 73 B A E - D 0 155B 13 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.1 -1.000 27.3-117.2-135.0 140.3 12.6 39.2 31.5 167 74 B I E - D 0 154B 12 -47,-0.5 2,-0.3 -2,-0.4 -13,-0.3 -0.409 31.5-130.6 -70.3 144.0 12.9 36.8 28.5 168 75 B E - 0 0 67 -15,-3.0 4,-0.4 1,-0.1 -1,-0.1 -0.722 3.1-143.8-100.6 151.6 14.7 33.5 29.3 169 76 B K S >> S+ 0 0 73 -2,-0.3 4,-1.5 1,-0.1 3,-0.8 0.880 86.4 70.9 -77.1 -42.7 17.5 32.0 27.3 170 77 B E H 3> S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.775 91.3 55.3 -55.9 -43.2 16.6 28.3 27.6 171 78 B P H 3> S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.889 107.6 50.4 -60.1 -38.5 13.5 28.2 25.3 172 79 B F H <> S+ 0 0 19 -3,-0.8 4,-2.9 -4,-0.4 5,-0.2 0.930 111.3 48.8 -59.5 -49.8 15.4 29.7 22.3 173 80 B T H X S+ 0 0 87 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.888 112.0 50.9 -55.1 -41.7 18.1 27.0 22.9 174 81 B A H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 111.9 43.7 -66.2 -48.0 15.4 24.4 23.0 175 82 B V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.955 114.6 51.0 -60.4 -48.5 13.6 25.5 19.8 176 83 B E H X S+ 0 0 83 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.860 109.6 52.4 -53.3 -39.9 17.1 25.8 18.1 177 84 B A H X S+ 0 0 58 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.907 108.3 48.8 -64.1 -44.7 17.8 22.3 19.3 178 85 B W H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.939 114.2 46.7 -60.6 -44.7 14.6 20.9 17.8 179 86 B L H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 112.5 48.6 -62.5 -47.1 15.4 22.6 14.5 180 87 B A H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.883 109.3 54.1 -62.6 -37.3 19.0 21.4 14.5 181 88 B E H X S+ 0 0 108 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.922 110.3 46.0 -62.4 -44.9 17.9 17.9 15.3 182 89 B Q H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 52.0 -62.8 -44.8 15.5 17.9 12.3 183 90 B Q H X S+ 0 0 80 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.893 108.4 50.8 -59.1 -42.3 18.2 19.3 10.0 184 91 B E H X S+ 0 0 148 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.900 108.6 52.7 -64.8 -38.8 20.7 16.6 11.0 185 92 B L H >< S+ 0 0 41 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.924 106.4 52.8 -62.1 -41.8 18.0 14.0 10.2 186 93 B W H 3< S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 110.3 48.9 -59.9 -40.5 17.4 15.4 6.7 187 94 B E H 3< S+ 0 0 145 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.633 87.8 109.1 -71.9 -20.3 21.2 15.2 6.0 188 95 B S << 0 0 91 -4,-1.0 -3,-0.0 -3,-0.8 -4,-0.0 -0.376 360.0 360.0 -68.0 133.3 21.6 11.6 7.2 189 96 B R 0 0 145 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.340 360.0 360.0-131.6 360.0 22.2 8.9 4.5