==== 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 15-APR-08 3CU5 . COMPND 2 MOLECULE: TWO COMPONENT TRANSCRIPTIONAL REGULATOR, ARAC FAM . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PHYTOFERMENTANS ISDG; . AUTHOR V.N.MALASHKEVICH,R.TORO,S.R.WASSERMAN,A.MEYER,J.M.SAUDER,S.K . 253 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 17.8 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 . 20 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 34.0 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+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 0 1 1 1 2 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 3 1 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 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 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 S 0 0 105 0, 0.0 2,-0.8 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 145.1 24.1 65.8 -8.7 2 3 A L - 0 0 9 25,-0.3 27,-4.5 47,-0.1 28,-1.9 -0.880 360.0-179.6 -83.2 102.6 22.2 62.5 -9.3 3 4 A R E -a 30 0A 24 -2,-0.8 47,-3.2 45,-0.3 48,-1.5 -0.942 24.1-157.5-111.9 132.4 19.0 63.1 -7.3 4 5 A I E -ab 31 51A 0 26,-2.2 28,-2.0 -2,-0.5 2,-0.5 -0.853 12.4-154.0 -92.7 141.6 16.0 61.0 -6.7 5 6 A L E -ab 32 52A 1 46,-2.8 48,-2.6 -2,-0.4 2,-0.6 -0.970 7.7-164.8-122.4 112.7 12.8 62.9 -5.8 6 7 A I E -ab 33 53A 2 26,-3.1 28,-0.8 -2,-0.5 2,-0.6 -0.856 4.4-169.7-106.4 122.2 10.2 60.9 -3.8 7 8 A V E +ab 34 54A 0 46,-2.7 48,-1.3 -2,-0.6 2,-0.3 -0.907 20.1 141.4-124.1 112.8 6.7 62.3 -3.6 8 9 A D - 0 0 12 26,-1.9 6,-0.1 -2,-0.6 26,-0.1 -0.978 49.3-136.1-154.0 138.1 4.1 60.9 -1.3 9 10 A D S S+ 0 0 62 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.792 89.4 69.3 -49.2 -36.9 1.3 62.2 0.9 10 11 A E >> - 0 0 13 1,-0.1 4,-1.5 -3,-0.1 3,-1.2 -0.831 63.2-155.5-111.4 119.7 2.4 59.9 3.8 11 12 A K H 3> S+ 0 0 85 -2,-0.6 4,-2.1 222,-0.3 5,-0.3 0.824 97.1 57.5 -50.9 -41.5 5.5 60.1 5.9 12 13 A L H 3> S+ 0 0 1 221,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.836 106.0 50.2 -65.7 -31.8 5.4 56.4 6.8 13 14 A T H <> S+ 0 0 23 -3,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.865 112.7 43.7 -76.1 -39.2 5.5 55.5 3.1 14 15 A R H X S+ 0 0 41 -4,-1.5 4,-3.5 2,-0.2 3,-0.5 0.988 117.4 46.5 -61.3 -68.8 8.5 57.7 2.2 15 16 A D H X S+ 0 0 35 -4,-2.1 4,-3.6 1,-0.2 5,-0.2 0.891 114.0 47.4 -28.3 -60.9 10.4 56.7 5.3 16 17 A G H X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.843 114.5 49.5 -68.6 -28.0 9.6 52.9 4.7 17 18 A L H >X S+ 0 0 3 -4,-1.3 3,-0.7 -3,-0.5 4,-0.6 0.973 111.5 44.8 -68.9 -56.4 10.7 53.4 1.2 18 19 A I H >< S+ 0 0 41 -4,-3.5 3,-1.8 1,-0.3 5,-0.2 0.947 111.7 55.7 -54.8 -43.8 13.9 55.0 1.9 19 20 A A H 3< S+ 0 0 69 -4,-3.6 -1,-0.3 -5,-0.3 -2,-0.2 0.843 108.7 49.0 -53.4 -34.2 14.4 52.4 4.6 20 21 A N H << S+ 0 0 36 -4,-1.2 2,-0.6 -3,-0.7 -1,-0.3 0.397 89.7 94.6 -92.8 1.7 14.0 49.7 2.0 21 22 A I << - 0 0 9 -3,-1.8 2,-3.1 -4,-0.6 3,-0.1 -0.831 67.2-143.7-102.9 115.2 16.4 51.1 -0.6 22 23 A N > + 0 0 80 -2,-0.6 3,-0.7 1,-0.2 -3,-0.1 -0.411 23.7 178.0 -74.2 76.4 19.9 49.7 -0.6 23 24 A W G > S+ 0 0 59 -2,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.639 71.6 75.4 -60.0 -10.9 21.3 53.1 -1.6 24 25 A K G 3 S+ 0 0 192 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 1.000 95.5 48.2 -56.8 -63.8 24.7 51.4 -1.4 25 26 A A G < S+ 0 0 58 -3,-0.7 2,-0.3 2,-0.0 -1,-0.2 0.085 108.8 62.3 -69.4 23.8 24.0 49.6 -4.7 26 27 A L S < S- 0 0 24 -3,-1.1 86,-0.1 -2,-0.6 85,-0.0 -0.933 78.2-121.7-138.0 174.9 22.8 52.8 -6.6 27 28 A S + 0 0 53 -2,-0.3 -25,-0.3 85,-0.1 -4,-0.0 0.653 54.3 138.7 -91.1 -17.3 24.3 56.2 -7.7 28 29 A F - 0 0 27 1,-0.2 -25,-0.2 -27,-0.1 3,-0.1 0.051 30.7-171.5 -32.7 130.6 21.9 58.7 -6.1 29 30 A D S S+ 0 0 106 -27,-4.5 2,-0.4 1,-0.3 -26,-0.2 0.757 73.2 21.9 -88.3 -33.7 23.9 61.6 -4.7 30 31 A Q E -a 3 0A 86 -28,-1.9 -26,-2.2 2,-0.0 2,-0.5 -0.995 60.8-149.3-147.6 133.0 20.8 62.9 -3.0 31 32 A I E -a 4 0A 59 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.929 24.8-174.6-104.3 131.6 17.4 61.8 -1.7 32 33 A D E -a 5 0A 23 -28,-2.0 -26,-3.1 -2,-0.5 2,-0.3 -0.931 3.4-165.1-127.7 146.3 14.7 64.4 -1.8 33 34 A Q E +a 6 0A 73 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.988 12.8 171.4-163.7 163.2 11.1 64.4 -0.6 34 35 A A E -a 7 0A 5 -28,-0.8 -26,-1.9 -2,-0.3 3,-0.1 -0.884 23.8-146.2 158.5 110.7 8.1 66.2 -0.9 35 36 A D S S+ 0 0 66 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.1 0.553 79.0 24.1-103.2 -14.3 4.6 65.5 0.3 36 37 A D S > S- 0 0 22 -28,-0.1 4,-1.6 24,-0.1 5,-0.1 -0.962 85.9 -99.3-147.8 161.3 2.4 67.0 -2.5 37 38 A G H > S+ 0 0 0 24,-0.5 4,-2.1 -2,-0.3 5,-0.1 0.816 118.7 49.3 -53.0 -33.6 2.7 67.8 -6.1 38 39 A I H > S+ 0 0 68 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.939 108.3 48.1 -81.9 -45.7 3.4 71.5 -5.4 39 40 A N H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.812 111.2 58.1 -59.1 -26.0 6.1 71.2 -2.8 40 41 A A H >X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 3,-0.8 0.992 108.3 41.2 -62.9 -58.7 7.5 68.8 -5.3 41 42 A I H 3X S+ 0 0 34 -4,-2.1 4,-1.7 1,-0.3 5,-0.3 0.935 109.0 61.3 -56.9 -45.1 7.7 71.3 -8.1 42 43 A Q H 3< S+ 0 0 112 -4,-3.2 4,-0.4 1,-0.2 -1,-0.3 0.866 113.3 36.1 -48.5 -41.2 8.9 73.9 -5.6 43 44 A I H XX S+ 0 0 33 -4,-1.5 4,-3.6 -3,-0.8 3,-1.5 0.913 109.3 61.8 -80.0 -46.4 12.0 71.7 -4.9 44 45 A A H 3< S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.683 100.7 57.1 -50.4 -23.1 12.5 70.4 -8.5 45 46 A L T 3< S+ 0 0 104 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.762 117.5 32.2 -78.7 -26.2 13.1 74.1 -9.6 46 47 A K T <4 S+ 0 0 166 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.788 132.0 29.1-102.8 -32.7 15.9 74.4 -7.1 47 48 A H S < S- 0 0 85 -4,-3.6 -1,-0.2 -44,-0.0 -2,-0.1 -0.675 86.5-142.9-131.1 79.9 17.4 70.9 -7.1 48 49 A P - 0 0 65 0, 0.0 -45,-0.3 0, 0.0 2,-0.2 -0.098 19.5-136.1 -50.1 125.5 16.6 69.4 -10.5 49 50 A P - 0 0 4 0, 0.0 -45,-0.2 0, 0.0 3,-0.1 -0.521 20.7-164.4 -89.8 158.0 15.8 65.7 -10.2 50 51 A N S S+ 0 0 27 -47,-3.2 28,-2.2 1,-0.3 2,-0.3 0.609 82.2 32.4-106.7 -20.7 17.0 62.8 -12.3 51 52 A V E -bc 4 78A 0 -48,-1.5 -46,-2.8 26,-0.2 2,-0.5 -0.998 64.3-158.2-138.6 136.7 14.4 60.3 -11.1 52 53 A L E -bc 5 79A 0 26,-2.4 28,-5.6 -2,-0.3 2,-0.5 -0.968 8.5-177.1-112.3 125.1 10.8 60.9 -10.0 53 54 A L E +bc 6 80A 0 -48,-2.6 -46,-2.7 -2,-0.5 2,-0.3 -0.995 25.7 152.1-122.0 121.8 9.2 58.3 -7.8 54 55 A T E -bc 7 81A 0 26,-2.2 28,-2.8 -2,-0.5 2,-0.3 -0.995 48.1-107.3-155.5 148.7 5.6 59.1 -7.1 55 56 A D E - c 0 82A 27 -48,-1.3 8,-0.6 -2,-0.3 28,-0.2 -0.595 29.3-137.9 -73.1 137.3 2.0 57.9 -6.3 56 57 A V S S+ 0 0 9 26,-2.2 7,-2.2 -2,-0.3 8,-0.8 0.980 86.8 46.6 -63.5 -59.2 -0.4 58.2 -9.2 57 58 A R + 0 0 131 5,-0.2 -1,-0.1 6,-0.2 5,-0.1 -0.757 68.2 154.7 -90.7 125.9 -3.4 59.5 -7.3 58 59 A M - 0 0 16 -2,-0.5 4,-0.1 1,-0.2 -22,-0.1 -0.958 43.5-118.3-139.5 157.5 -3.0 62.3 -4.9 59 60 A P S S+ 0 0 109 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.994 102.1 24.9 -51.6 -84.6 -5.3 65.0 -3.6 60 61 A R S S+ 0 0 162 1,-0.3 2,-0.2 2,-0.0 -24,-0.1 0.508 141.4 1.6 -74.7 -4.7 -3.9 68.4 -4.6 61 62 A M S S- 0 0 15 -24,-0.0 -24,-0.5 -23,-0.0 -1,-0.3 -0.611 81.0-138.1 175.5 98.9 -1.9 67.4 -7.7 62 63 A D >> - 0 0 36 -3,-0.2 4,-2.1 -2,-0.2 3,-1.0 -0.366 31.8 -98.7 -80.8 159.2 -2.0 63.8 -8.7 63 64 A G H 3> S+ 0 0 0 -7,-2.2 4,-3.4 -8,-0.6 5,-0.3 0.872 122.9 56.9 -38.8 -47.3 1.0 61.9 -9.9 64 65 A I H 3> S+ 0 0 37 -8,-0.8 4,-1.1 1,-0.2 -1,-0.3 0.870 107.6 41.7 -56.5 -47.0 -0.1 62.6 -13.5 65 66 A E H <> S+ 0 0 107 -3,-1.0 4,-1.5 2,-0.2 3,-0.2 0.938 118.7 47.7 -68.0 -44.2 -0.3 66.4 -13.4 66 67 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-0.5 0.943 108.0 53.2 -55.8 -53.4 3.0 66.6 -11.5 67 68 A V H X S+ 0 0 5 -4,-3.4 4,-2.2 -5,-0.4 -1,-0.2 0.808 107.2 54.0 -60.0 -25.7 4.8 64.2 -13.7 68 69 A D H < S+ 0 0 91 -4,-1.1 4,-0.4 -5,-0.3 -1,-0.3 0.868 109.4 46.2 -78.0 -34.3 3.7 66.3 -16.6 69 70 A N H >X S+ 0 0 52 -4,-1.5 4,-1.9 -3,-0.5 3,-0.8 0.915 112.9 49.7 -68.8 -49.3 5.2 69.5 -15.1 70 71 A I H >X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 3,-0.7 0.978 108.6 52.2 -57.3 -52.3 8.4 67.9 -14.1 71 72 A L H 3< S+ 0 0 67 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.703 108.2 53.9 -59.1 -15.1 8.8 66.4 -17.6 72 73 A K H <4 S+ 0 0 181 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.853 115.5 36.8 -83.5 -33.1 8.3 69.9 -19.0 73 74 A L H << S+ 0 0 74 -4,-1.9 -2,-0.2 -3,-0.7 -3,-0.1 0.595 133.1 26.4 -90.5 -15.8 11.1 71.5 -16.9 74 75 A Y >< - 0 0 49 -4,-1.7 3,-2.6 -5,-0.2 -1,-0.3 -0.522 63.9-178.4-154.5 70.4 13.4 68.5 -17.1 75 76 A P T 3 S+ 0 0 95 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.663 85.6 57.3 -45.6 -20.7 12.8 66.5 -20.3 76 77 A D T 3 S+ 0 0 110 -27,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.625 73.9 111.6-100.0 -13.2 15.4 64.2 -19.0 77 78 A C < - 0 0 7 -3,-2.6 2,-0.4 -7,-0.2 -26,-0.2 -0.378 58.6-146.4 -54.9 125.7 14.0 63.2 -15.6 78 79 A S E -c 51 0A 23 -28,-2.2 -26,-2.4 -2,-0.1 2,-0.4 -0.827 18.4-150.9 -95.1 142.1 13.0 59.5 -15.6 79 80 A V E -c 52 0A 6 -2,-0.4 17,-1.3 -28,-0.2 2,-0.4 -0.901 14.4-159.9-122.3 139.5 9.9 58.8 -13.5 80 81 A I E -cd 53 96A 0 -28,-5.6 -26,-2.2 -2,-0.4 2,-0.4 -0.938 14.1-154.4-113.1 141.8 8.6 55.8 -11.5 81 82 A F E -cd 54 97A 19 15,-1.0 17,-2.9 -2,-0.4 2,-0.5 -0.945 9.3-152.5-117.6 131.5 4.9 55.5 -10.6 82 83 A M E +cd 55 98A 2 -28,-2.8 -26,-2.2 -2,-0.4 17,-0.2 -0.900 34.7 150.9 -96.5 130.2 3.4 53.6 -7.7 83 84 A S - 0 0 6 15,-2.0 4,-0.5 -2,-0.5 16,-0.2 0.754 26.0-162.1-125.3 -58.4 -0.2 52.6 -8.7 84 85 A G - 0 0 11 14,-0.2 2,-1.8 1,-0.2 3,-0.4 0.987 54.6 -65.9 58.9 83.0 -1.9 49.4 -7.4 85 86 A Y S >> S+ 0 0 204 1,-0.3 3,-1.5 2,-0.1 4,-0.7 -0.179 117.9 77.2 63.7 -78.4 -5.0 48.1 -9.3 86 87 A S T 34 S+ 0 0 87 -2,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.887 115.3 13.4 -20.4 -71.4 -7.5 50.9 -8.8 87 88 A D T 34 S+ 0 0 24 -4,-0.5 3,-0.5 -3,-0.4 -1,-0.3 -0.156 85.9 104.8-123.3 36.7 -5.9 53.1 -11.3 88 89 A K T <4 S+ 0 0 91 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.817 78.4 78.0 -66.0 -31.7 -3.5 51.1 -13.4 89 90 A E < + 0 0 163 -4,-0.7 2,-1.9 -3,-0.3 -1,-0.2 0.674 67.4 81.5 -47.7 -32.2 -6.5 51.6 -15.5 90 91 A Y 0 0 138 -3,-0.5 -1,-0.2 1,-0.1 -3,-0.1 -0.564 360.0 360.0 -79.7 81.0 -5.5 55.2 -16.4 91 92 A L 0 0 175 -2,-1.9 -1,-0.1 0, 0.0 0, 0.0 -0.344 360.0 360.0 43.3 360.0 -3.1 54.0 -19.1 92 ! 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 93 99 A R 0 0 275 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.1 6.2 57.9 -24.2 94 100 A A - 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0 0 7 -2,-0.3 3,-2.2 -50,-0.1 -21,-0.1 -0.875 47.1 -98.8-166.4 118.6 -7.2 44.6 2.9 185 60 B P T 3 S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -50,-0.0 0.031 103.1 4.1 -49.7 156.0 -7.9 42.4 -0.1 186 61 B R T 3 S+ 0 0 246 -24,-0.1 2,-0.0 1,-0.1 -24,-0.0 0.399 137.9 35.5 50.7 -1.2 -9.4 39.0 0.7 187 62 B M S < S- 0 0 44 -3,-2.2 -24,-0.4 -2,-0.3 -1,-0.1 -0.267 77.5-146.5-176.3 92.2 -9.8 39.7 4.4 188 63 B D > - 0 0 22 1,-0.1 4,-2.2 -5,-0.1 -5,-0.2 0.026 30.5-110.2 -36.9 158.7 -10.6 43.1 5.8 189 64 B G H > S+ 0 0 0 -7,-2.9 4,-2.8 2,-0.2 5,-0.2 0.759 120.8 55.9 -68.9 -27.8 -9.2 44.3 9.1 190 65 B I H > S+ 0 0 10 -8,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.981 106.3 46.3 -67.1 -58.3 -12.8 44.0 10.4 191 66 B E H > S+ 0 0 98 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.916 117.1 51.4 -48.6 -43.1 -13.1 40.3 9.5 192 67 B L H >X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 3,-0.8 0.947 108.2 43.5 -60.1 -55.8 -9.7 40.1 11.1 193 68 B V H 3X S+ 0 0 7 -4,-2.8 4,-3.9 1,-0.3 5,-0.3 0.942 108.0 69.3 -61.1 -36.6 -10.2 41.7 14.4 194 69 B D H 3X S+ 0 0 82 -4,-3.1 4,-1.7 1,-0.3 -1,-0.3 0.808 106.2 32.0 -46.8 -47.0 -13.4 39.7 14.4 195 70 B N H < S+ 0 0 54 -4,-3.9 3,-1.1 1,-0.2 -2,-0.2 0.933 102.6 69.4 -60.0 -46.4 -11.5 38.9 19.4 198 73 B K H 3< S+ 0 0 166 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.892 117.3 21.1 -28.6 -62.4 -13.3 35.6 19.1 199 74 B L H 3< S+ 0 0 76 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.309 133.6 35.4-108.2 10.5 -10.4 34.0 20.8 200 75 B Y X< + 0 0 49 -3,-1.1 3,-2.3 -4,-1.0 -1,-0.2 -0.401 58.7 169.1-152.8 65.1 -8.6 36.8 22.6 201 76 B P T 3 S+ 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.759 74.5 70.5 -47.8 -23.9 -11.3 39.1 23.9 202 77 B D T 3 S+ 0 0 72 -5,-0.1 2,-0.3 2,-0.1 50,-0.1 0.446 77.0 105.0 -80.0 -4.2 -8.6 40.7 25.9 203 78 B C < - 0 0 10 -3,-2.3 2,-0.3 -7,-0.1 -26,-0.2 -0.629 61.6-140.0 -89.6 132.4 -6.8 42.3 22.9 204 79 B S E -g 177 0B 12 -28,-2.1 -26,-2.7 -2,-0.3 2,-0.4 -0.635 16.3-150.2 -85.0 152.7 -7.0 46.0 22.0 205 80 B V E -g 178 0B 19 -2,-0.3 22,-0.6 -28,-0.2 2,-0.5 -0.973 13.1-171.9-126.0 135.0 -7.3 47.1 18.4 206 81 B I E -gh 179 227B 0 -28,-2.7 -26,-2.4 -2,-0.4 2,-0.4 -0.986 13.9-157.7-121.7 123.1 -6.0 50.1 16.6 207 82 B F E -gh 180 228B 5 20,-2.8 22,-1.3 -2,-0.5 2,-0.8 -0.762 13.7-145.1 -98.2 141.3 -7.1 50.7 13.1 208 83 B M E -gh 181 229B 2 -28,-3.5 -26,-1.3 -2,-0.4 2,-0.3 -0.907 36.3-165.5 -97.5 113.9 -5.3 52.8 10.6 209 84 B S E - h 0 230B 0 20,-1.9 22,-2.5 -2,-0.8 -28,-0.0 -0.754 12.5-159.9-113.7 149.9 -8.3 54.2 8.7 210 85 B G > - 0 0 13 -2,-0.3 3,-0.8 20,-0.2 4,-0.4 0.194 47.7 -40.6-104.9-140.8 -8.8 55.9 5.4 211 86 B Y T 3 S- 0 0 219 1,-0.3 3,-0.4 2,-0.1 2,-0.2 0.971 128.7 -3.4 -64.4 -77.0 -11.2 58.1 3.5 212 87 B S T 3 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 -0.459 97.0 110.7-113.1 67.3 -14.6 56.7 4.3 213 88 B D <> + 0 0 18 -3,-0.8 4,-2.7 -2,-0.2 -1,-0.2 0.516 68.9 74.3 -99.0 -18.7 -13.5 53.7 6.3 214 89 B K H > S+ 0 0 59 -4,-0.4 4,-2.3 -3,-0.4 5,-0.2 0.970 92.4 47.5 -63.3 -55.7 -15.0 55.6 9.2 215 90 B E H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 114.0 53.1 -44.3 -40.5 -18.6 54.9 8.2 216 91 B Y H > S+ 0 0 60 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.942 105.0 51.0 -67.4 -48.1 -17.4 51.4 7.8 217 92 B L H >X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 3,-0.8 0.959 109.8 50.3 -53.6 -51.3 -15.9 51.0 11.2 218 93 B K H 3< S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.850 107.7 53.0 -64.4 -33.8 -19.0 52.3 12.9 219 94 B A H 3< S+ 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.822 116.7 38.1 -67.3 -29.8 -21.3 49.9 11.1 220 95 B A H << S+ 0 0 23 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.862 115.3 45.5 -97.9 -31.1 -19.3 46.8 12.0 221 96 B I < + 0 0 16 -4,-2.4 2,-1.2 -5,-0.2 -3,-0.1 0.992 59.2 158.6 -81.0 -78.4 -18.2 47.4 15.6 222 97 B K + 0 0 145 -4,-0.2 2,-0.4 -5,-0.2 -1,-0.1 -0.434 69.8 29.9 99.8 -72.1 -21.0 48.7 17.8 223 98 B F S S+ 0 0 162 -2,-1.2 2,-0.3 2,-0.0 -1,-0.1 -0.779 103.0 78.0-125.3 91.3 -20.1 48.0 21.5 224 99 B R S S- 0 0 129 -2,-0.4 2,-1.9 2,-0.0 -2,-0.1 -0.932 91.9 -76.4 170.5 155.9 -16.3 48.0 21.6 225 100 B A - 0 0 80 -2,-0.3 -20,-0.2 -4,-0.1 -2,-0.0 -0.318 40.5-162.2 -84.4 56.6 -13.4 50.5 21.7 226 101 B I + 0 0 53 -2,-1.9 2,-0.5 -20,-0.1 -20,-0.1 -0.118 16.4 179.3 -25.2 90.6 -13.2 51.7 18.1 227 102 B R E +h 206 0B 60 -22,-0.6 -20,-2.8 2,-0.0 2,-0.3 -0.971 11.0 161.0-104.1 127.5 -9.6 53.1 18.3 228 103 B Y E -h 207 0B 87 -2,-0.5 2,-0.4 -22,-0.2 -20,-0.2 -0.871 32.1-150.5-140.1 172.2 -8.5 54.6 15.0 229 104 B V E -h 208 0B 4 -22,-1.3 -20,-1.9 -2,-0.3 2,-0.3 -0.949 26.7-124.3-149.4 121.9 -6.0 56.9 13.4 230 105 B E E -h 209 0B 75 -2,-0.4 4,-0.3 -22,-0.2 -20,-0.2 -0.528 35.2 -95.3 -79.9 127.9 -6.7 58.9 10.2 231 106 B K S S+ 0 0 89 -22,-2.5 -1,-0.1 -2,-0.3 3,-0.0 -0.446 110.1 66.0 -63.3 146.1 -4.5 58.6 7.2 232 107 B P S S- 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.295 101.4-135.4 -62.1 113.7 -2.3 60.4 6.4 233 108 B I - 0 0 8 -4,-0.1 -222,-0.3 1,-0.1 -221,-0.3 -0.105 13.2-153.9 -51.1 133.8 -1.0 58.8 9.6 234 109 B D > - 0 0 67 -4,-0.3 4,-2.2 -223,-0.1 3,-0.5 -0.956 11.6-142.9-101.7 125.5 0.6 61.2 12.0 235 110 B P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.372 98.1 61.2 -74.9 5.8 3.1 59.1 14.2 236 111 B S T >> S+ 0 0 79 2,-0.2 4,-1.1 3,-0.1 3,-0.6 0.813 103.9 47.3 -91.6 -42.3 2.2 61.2 17.2 237 112 B E H >> S+ 0 0 95 -3,-0.5 4,-2.3 1,-0.3 3,-1.1 0.957 110.2 53.5 -64.2 -50.3 -1.4 60.1 17.1 238 113 B I H 3X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 -1,-0.3 0.709 103.8 56.8 -56.7 -19.1 -0.2 56.5 16.6 239 114 B M H <> S+ 0 0 47 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.740 108.3 46.1 -87.8 -20.0 1.9 56.8 19.7 240 115 B D H < S+ 0 0 113 -4,-2.7 3,-2.7 -5,-0.3 4,-0.4 0.956 109.3 46.8 -53.5 -56.1 -6.7 47.0 32.9 252 127 B H H >< S+ 0 0 80 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.951 106.4 60.5 -53.6 -45.7 -8.2 43.8 31.3 253 128 B Q T 3< S+ 0 0 108 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.600 89.7 75.6 -59.2 -4.8 -5.3 42.0 32.8 254 129 B A T < 0 0 69 -3,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.706 360.0 360.0 -87.3 -16.8 -6.5 43.2 36.2 255 130 B Q < 0 0 202 -3,-1.7 0, 0.0 -4,-0.4 0, 0.0 -0.463 360.0 360.0-134.0 360.0 -9.5 40.7 36.5