==== 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 18-AUG-08 3E7Q . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.ZHANG,T.SKARINA,O.KAGAN,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 80.4 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 . 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 2 0 1 2 2 0 1 1 2 0 0 0 1 1 0 0 0 2 0 2 0 2 0 0 0 2 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 2 A N > 0 0 152 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -16.0 62.7 7.9 37.3 2 3 A Q H > + 0 0 47 2,-0.2 4,-1.9 1,-0.2 5,-0.5 0.862 360.0 61.2 -75.2 -38.1 59.0 7.3 38.3 3 4 A E H > S+ 0 0 154 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.852 116.1 32.0 -57.5 -39.1 57.6 8.9 35.0 4 5 A V H > S+ 0 0 62 2,-0.1 4,-1.4 3,-0.1 -1,-0.2 0.874 114.3 57.8 -83.7 -40.7 59.4 6.2 33.0 5 6 A R H < S+ 0 0 156 -4,-1.6 4,-0.3 1,-0.2 3,-0.2 0.885 110.2 40.4 -71.1 -38.9 59.3 3.2 35.4 6 7 A F H >< S+ 0 0 15 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.946 114.8 54.6 -65.8 -47.1 55.5 2.9 35.8 7 8 A S H 3< S+ 0 0 61 -4,-0.5 -2,-0.2 -5,-0.5 -1,-0.2 0.708 99.7 60.7 -59.4 -25.3 55.0 3.6 32.2 8 9 A R T 3< S+ 0 0 194 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.496 84.1 99.4 -90.2 -2.8 57.2 0.8 31.1 9 10 A L S < S- 0 0 49 -3,-1.6 -3,-0.0 -4,-0.3 0, 0.0 -0.458 89.9 -91.5 -71.0 152.0 55.1 -1.8 32.8 10 11 A E >> - 0 0 131 -2,-0.1 4,-2.5 1,-0.1 3,-0.7 -0.360 36.4-114.4 -58.3 143.7 52.6 -3.7 30.7 11 12 A P H 3> S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.908 116.3 49.5 -50.8 -49.9 49.1 -2.2 30.4 12 13 A E H 3> S+ 0 0 172 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.863 112.2 50.9 -59.3 -30.4 47.4 -5.0 32.3 13 14 A Q H <> S+ 0 0 104 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.917 109.3 47.1 -75.8 -47.7 50.0 -4.7 35.0 14 15 A R H X S+ 0 0 67 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.954 114.6 49.7 -51.2 -49.1 49.7 -0.9 35.5 15 16 A K H X S+ 0 0 72 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.940 110.1 49.4 -59.3 -45.7 46.0 -1.4 35.6 16 17 A A H X S+ 0 0 56 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.869 108.9 53.0 -65.5 -35.1 46.2 -4.2 38.2 17 18 A L H X S+ 0 0 56 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.887 110.5 46.4 -68.1 -39.8 48.5 -2.2 40.5 18 19 A L H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.923 111.9 50.2 -70.3 -38.5 46.1 0.7 40.6 19 20 A I H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 109.4 52.3 -68.0 -35.7 43.0 -1.4 41.2 20 21 A E H X S+ 0 0 148 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.877 111.2 46.9 -62.9 -38.5 44.9 -3.1 44.1 21 22 A A H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.830 110.9 52.0 -69.2 -36.0 45.7 0.3 45.6 22 23 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.942 110.6 48.5 -65.5 -44.0 42.1 1.4 45.2 23 24 A L H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.900 111.1 50.2 -62.7 -42.8 40.9 -1.7 46.9 24 25 A A H X S+ 0 0 39 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.890 112.7 45.9 -63.5 -44.0 43.4 -1.2 49.8 25 26 A C H X S+ 0 0 4 -4,-2.0 4,-3.4 2,-0.2 5,-0.4 0.847 110.1 53.5 -65.2 -38.8 42.4 2.5 50.3 26 27 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 3,-0.2 -2,-0.2 0.940 111.7 47.5 -60.6 -45.3 38.7 1.6 50.2 27 28 A K H < S+ 0 0 116 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.952 120.5 36.6 -57.9 -48.9 39.4 -1.0 52.9 28 29 A R H < S+ 0 0 185 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.860 135.1 18.6 -73.0 -38.2 41.4 1.5 55.1 29 30 A H H X S- 0 0 39 -4,-3.4 4,-0.8 1,-0.2 -3,-0.2 0.506 97.0-125.0-117.9 -5.6 39.4 4.6 54.5 30 31 A G H X - 0 0 2 -4,-2.1 4,-1.7 -5,-0.4 3,-0.5 0.046 46.1 -69.5 72.6 168.0 36.0 3.7 53.1 31 32 A F H 4 S+ 0 0 23 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.888 135.7 53.6 -58.9 -40.5 34.7 5.1 49.9 32 33 A Q H 4 S+ 0 0 80 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.2 0.780 112.3 43.7 -70.2 -26.2 34.3 8.6 51.4 33 34 A G H < S+ 0 0 22 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.674 87.6 101.8 -92.9 -18.3 37.9 8.7 52.6 34 35 A A < + 0 0 3 -4,-1.7 2,-0.3 -5,-0.1 23,-0.1 -0.341 49.4 173.4 -60.1 139.5 39.5 7.3 49.5 35 36 A S > - 0 0 38 1,-0.1 4,-2.2 22,-0.1 5,-0.1 -0.932 46.5-113.2-137.3 161.6 41.0 10.1 47.5 36 37 A V H > S+ 0 0 26 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.884 118.9 59.2 -64.0 -36.2 43.2 9.9 44.3 37 38 A R H > S+ 0 0 190 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 109.0 42.3 -57.2 -40.7 46.0 11.3 46.5 38 39 A K H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 112.9 52.8 -67.9 -46.6 45.8 8.3 48.9 39 40 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.896 111.4 46.6 -58.0 -40.2 45.4 5.8 46.1 40 41 A C H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-1.1 0.816 111.2 50.0 -74.7 -34.8 48.5 7.1 44.3 41 42 A A H <5S+ 0 0 82 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.839 113.6 47.7 -67.1 -36.5 50.6 7.1 47.5 42 43 A E H <5S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.939 115.3 44.6 -64.2 -51.3 49.5 3.5 48.1 43 44 A A H <5S- 0 0 13 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.704 109.6-125.0 -60.8 -26.6 50.3 2.6 44.5 44 45 A G T <5 + 0 0 43 -4,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.718 69.8 120.6 76.9 25.7 53.6 4.4 44.6 45 46 A V < - 0 0 14 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.1 -0.771 67.4 -96.5-120.5 167.0 52.7 6.5 41.6 46 47 A S > - 0 0 42 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.480 21.4-135.3 -83.0 150.1 52.4 10.2 40.8 47 48 A V H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 105.5 56.0 -73.5 -37.0 49.0 11.9 40.9 48 49 A G H > S+ 0 0 51 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.879 104.4 54.1 -62.7 -40.3 49.7 13.8 37.6 49 50 A L H > S+ 0 0 38 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.928 113.5 42.8 -53.6 -47.6 50.4 10.5 35.9 50 51 A I H >X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 3,-1.1 0.858 100.0 68.4 -73.9 -33.5 47.0 9.2 37.1 51 52 A N H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 98.0 57.3 -54.0 -32.0 45.0 12.4 36.3 52 53 A H H 3< S+ 0 0 152 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.812 115.4 32.5 -67.2 -35.5 45.6 11.6 32.6 53 54 A H H << S+ 0 0 117 -3,-1.1 2,-0.4 -4,-0.5 -2,-0.2 0.676 122.4 41.1 -98.2 -20.1 44.0 8.1 32.8 54 55 A Y < - 0 0 30 -4,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.989 63.3-142.6-138.3 137.3 41.3 8.7 35.3 55 56 A D S S- 0 0 163 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.821 71.1 -68.5 -60.9 -36.2 38.9 11.5 36.0 56 57 A G S > S- 0 0 18 1,-0.1 4,-1.5 -6,-0.1 -1,-0.2 -0.947 76.0 -37.9 168.3-166.7 39.1 11.1 39.8 57 58 A K H > S+ 0 0 46 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.889 128.0 57.1 -55.8 -49.3 38.2 8.8 42.7 58 59 A D H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.909 108.5 47.7 -51.8 -45.7 34.9 7.8 41.2 59 60 A A H > S+ 0 0 26 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.824 112.8 47.5 -65.6 -37.7 36.6 6.5 38.0 60 61 A L H X S+ 0 0 3 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.918 113.7 47.8 -67.0 -46.6 39.3 4.6 40.0 61 62 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.899 110.7 51.6 -62.6 -42.4 36.7 3.0 42.2 62 63 A A H X S+ 0 0 12 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.870 108.2 51.5 -62.8 -41.2 34.5 2.1 39.2 63 64 A E H X S+ 0 0 66 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.903 110.6 49.1 -64.8 -36.8 37.4 0.4 37.5 64 65 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.880 113.2 46.1 -67.7 -38.3 38.2 -1.6 40.6 65 66 A Y H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.918 110.5 53.9 -70.2 -45.5 34.5 -2.7 41.0 66 67 A L H X S+ 0 0 75 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.867 112.3 44.9 -51.9 -42.9 34.4 -3.6 37.3 67 68 A A H X S+ 0 0 39 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.842 113.1 48.0 -72.9 -41.5 37.4 -5.8 37.6 68 69 A V H X S+ 0 0 14 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.904 116.8 42.9 -66.1 -44.6 36.3 -7.6 40.8 69 70 A T H X S+ 0 0 14 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.887 111.6 55.3 -71.5 -39.0 32.8 -8.3 39.5 70 71 A G H X S+ 0 0 18 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.910 106.6 52.3 -55.1 -43.5 34.3 -9.3 36.1 71 72 A R H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.937 109.4 47.5 -60.3 -48.1 36.5 -11.8 37.9 72 73 A V H X S+ 0 0 29 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.918 111.8 50.7 -55.7 -51.1 33.5 -13.4 39.7 73 74 A M H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.868 108.3 52.0 -57.7 -41.3 31.5 -13.5 36.5 74 75 A R H X S+ 0 0 164 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.924 112.0 45.8 -64.0 -42.4 34.4 -15.3 34.7 75 76 A L H X S+ 0 0 69 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.901 117.3 44.0 -65.3 -40.0 34.6 -17.9 37.5 76 77 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.902 116.0 45.6 -74.3 -41.9 30.9 -18.5 37.5 77 78 A R H X S+ 0 0 80 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.924 112.5 53.0 -63.4 -45.1 30.5 -18.5 33.8 78 79 A G H X S+ 0 0 31 -4,-2.5 4,-1.1 -5,-0.3 -2,-0.2 0.886 106.9 52.9 -51.3 -44.5 33.5 -20.9 33.6 79 80 A A H < S+ 0 0 17 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.886 114.5 40.6 -60.3 -48.6 31.8 -23.2 36.1 80 81 A I H >< S+ 0 0 11 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.869 111.8 56.9 -63.4 -41.8 28.6 -23.5 34.1 81 82 A D H 3< S+ 0 0 116 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.703 111.2 42.4 -70.4 -20.8 30.5 -23.7 30.8 82 83 A T T 3< S+ 0 0 118 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.408 92.0 104.2-105.9 0.1 32.5 -26.7 31.9 83 84 A A < - 0 0 16 -3,-0.9 3,-0.2 -4,-0.4 7,-0.1 -0.589 55.9-156.2 -82.0 138.7 29.6 -28.5 33.5 84 85 A P + 0 0 111 0, 0.0 2,-2.9 0, 0.0 -1,-0.1 0.877 58.0 43.2 -75.2-103.0 28.0 -31.5 31.6 85 86 A G S S- 0 0 64 4,-0.1 3,-0.3 3,-0.0 2,-0.1 -0.174 98.7 -77.4 -70.6 62.2 24.5 -33.1 31.8 86 87 A G S > S- 0 0 15 -2,-2.9 4,-1.7 1,-0.2 5,-0.1 -0.380 77.7 -21.9 96.5-167.1 21.9 -30.3 31.9 87 88 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.793 125.6 44.0 -63.7 -44.4 20.4 -27.8 34.3 88 89 A R H > S+ 0 0 46 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.891 112.2 50.7 -74.0 -44.4 21.0 -29.3 37.7 89 90 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.872 113.4 49.8 -53.4 -35.2 24.7 -30.3 37.1 90 91 A R H X S+ 0 0 84 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.914 109.9 47.8 -71.2 -43.0 25.1 -26.8 35.9 91 92 A L H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.932 112.7 50.6 -61.2 -43.6 23.5 -25.2 39.0 92 93 A S H X S+ 0 0 30 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.885 107.0 52.2 -58.9 -45.1 25.6 -27.5 41.2 93 94 A A H X S+ 0 0 26 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.914 112.3 47.9 -57.3 -43.7 28.8 -26.4 39.4 94 95 A F H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 111.3 49.1 -59.9 -48.7 27.7 -22.8 40.1 95 96 A F H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.906 111.0 50.3 -62.6 -42.6 27.0 -23.5 43.7 96 97 A E H < S+ 0 0 115 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.936 111.8 47.1 -60.5 -47.6 30.4 -25.3 44.2 97 98 A A H >< S+ 0 0 19 -4,-2.3 3,-1.5 1,-0.2 6,-0.6 0.906 108.8 56.6 -58.2 -43.0 32.2 -22.4 42.6 98 99 A S H 3< S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 114.0 38.2 -59.2 -35.7 30.2 -19.9 44.8 99 100 A F T 3< S+ 0 0 10 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.163 93.3 113.7-105.9 15.9 31.3 -21.6 48.0 100 101 A S S <> S- 0 0 25 -3,-1.5 4,-2.9 -4,-0.1 5,-0.3 -0.463 83.5-105.9 -74.2 161.0 35.0 -22.3 46.8 101 102 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.890 117.9 63.3 -58.1 -42.9 37.8 -20.5 48.6 102 103 A E H 4 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.944 118.9 23.0 -42.4 -57.7 38.3 -18.2 45.5 103 104 A L H 4 S+ 0 0 20 -6,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.777 122.8 52.5 -90.8 -24.7 34.8 -16.7 45.9 104 105 A L H < S+ 0 0 18 -4,-2.9 -3,-0.2 -7,-0.2 -1,-0.2 0.685 77.1 109.1 -87.2 -20.7 34.0 -17.3 49.6 105 106 A D >< - 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0 0 56 -2,-0.3 4,-0.8 1,-0.1 -1,-0.0 -0.288 21.6-133.2 -75.8 156.6 30.9 19.7 71.7 257 48 B V H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.692 104.8 65.3 -84.1 -23.3 33.4 16.8 71.7 258 49 B G H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.980 103.1 50.8 -52.0 -58.8 34.8 17.8 75.2 259 50 B L H > S+ 0 0 45 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.820 116.3 38.1 -41.6 -46.2 31.3 16.9 76.4 260 51 B I H X S+ 0 0 4 -4,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.802 109.8 55.8 -99.0 -29.7 31.1 13.5 74.7 261 52 B N H >< S+ 0 0 95 -4,-2.5 3,-1.6 2,-0.2 -2,-0.2 0.995 110.6 51.2 -45.3 -69.1 34.7 12.2 75.2 262 53 B H H 3< S+ 0 0 142 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.778 117.1 37.2 -36.1 -48.1 34.0 12.9 78.9 263 54 B H H 3< S+ 0 0 100 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.555 117.1 52.1 -94.0 -6.9 30.8 10.9 78.9 264 55 B Y << - 0 0 82 -3,-1.6 3,-0.1 -4,-1.2 -1,-0.1 -0.971 67.9-133.4-141.3 152.8 31.9 8.0 76.5 265 56 B D - 0 0 148 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.928 69.2 -72.4 -68.4 -50.8 34.6 5.4 76.0 266 57 B G > - 0 0 19 1,-0.1 4,-1.5 -6,-0.1 -1,-0.2 -0.976 54.9 -60.7 177.5-169.2 35.3 5.9 72.3 267 58 B K H >> S+ 0 0 43 -2,-0.3 4,-2.6 2,-0.2 3,-0.7 0.962 123.1 55.8 -62.9 -54.1 34.1 5.5 68.8 268 59 B D H 3> S+ 0 0 67 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.889 109.9 48.0 -46.4 -46.8 33.9 1.7 68.8 269 60 B A H 3> S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.813 110.7 50.1 -66.0 -35.2 31.6 1.8 71.9 270 61 B L H < S+ 0 0 14 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.913 113.2 51.7 -62.6 -41.2 5.0 -13.3 65.1 291 82 B D H 3< S+ 0 0 121 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.725 113.1 41.9 -71.3 -26.2 3.3 -12.7 68.5 292 83 B T T 3< S+ 0 0 123 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.219 95.4 100.4-108.5 8.9 0.2 -11.0 67.2 293 84 B A S < S- 0 0 16 -3,-1.0 7,-0.1 -4,-0.2 -3,-0.0 -0.690 91.0 -77.5 -87.3 148.3 -0.3 -13.4 64.2 294 85 B P - 0 0 95 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.068 56.8-103.1 -32.4 141.9 -2.8 -16.3 64.1 295 86 B G S S+ 0 0 48 4,-0.1 -2,-0.1 -3,-0.1 -5,-0.0 0.622 87.7 96.2 -61.9 -22.9 -1.4 -19.1 66.1 296 87 B G S > S- 0 0 25 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.165 80.3-112.7 -78.0 165.0 -0.2 -21.4 63.3 297 88 B A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.905 112.1 44.6 -65.2 -42.5 3.3 -21.8 61.7 298 89 B R H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.902 112.0 50.8 -72.4 -42.2 2.5 -20.4 58.2 299 90 B P H > S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.916 112.8 48.1 -61.3 -38.8 0.4 -17.4 59.4 300 91 B R H X S+ 0 0 74 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.885 112.7 47.9 -63.4 -45.1 3.3 -16.5 61.8 301 92 B L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.918 111.8 50.9 -61.5 -45.3 5.9 -16.8 59.0 302 93 B S H X S+ 0 0 32 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.852 109.4 49.5 -59.7 -38.6 3.6 -14.7 56.6 303 94 B A H X S+ 0 0 25 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.939 110.1 51.4 -66.9 -46.6 3.4 -12.0 59.3 304 95 B F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 111.7 47.4 -48.7 -50.2 7.2 -12.1 59.6 305 96 B F H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.932 111.7 50.0 -61.3 -49.2 7.6 -11.7 55.8 306 97 B E H >< S+ 0 0 81 -4,-2.5 3,-0.7 1,-0.2 4,-0.5 0.932 112.3 46.7 -54.2 -49.8 5.0 -8.8 55.7 307 98 B A H >< S+ 0 0 19 -4,-2.9 3,-1.1 1,-0.2 6,-0.6 0.916 109.3 57.7 -57.5 -39.9 6.8 -7.0 58.6 308 99 B S H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.742 113.8 35.6 -62.1 -29.2 10.1 -7.7 56.7 309 100 B F T << S+ 0 0 12 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.202 92.7 113.6-115.4 12.5 9.0 -5.9 53.5 310 101 B S S <> S- 0 0 30 -3,-1.1 4,-2.5 -4,-0.5 5,-0.2 -0.402 85.3-103.2 -74.9 159.2 7.0 -3.1 55.2 311 102 B A H > S+ 0 0 77 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.787 118.3 61.3 -55.7 -32.4 8.3 0.4 55.0 312 103 B E H >4 S+ 0 0 108 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.987 118.5 24.1 -61.5 -58.3 9.6 0.3 58.6 313 104 B L H 34 S+ 0 0 18 -6,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.691 122.8 56.2 -84.1 -16.6 12.1 -2.6 58.0 314 105 B L H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 -7,-0.2 -2,-0.2 0.411 72.9 136.1 -95.8 6.6 12.4 -1.9 54.2 315 106 B D X< - 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