==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 19-DEC-12 4IHT . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR BENM; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER SP.; . AUTHOR A.ALANAZI,C.MOMANY,E.L.NEIDLE . 355 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 75.8 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 . 9 2.5 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 . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.9 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 0 1 3 0 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 2 2 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 129.1 27.6 -43.6 -3.2 2 2 A E >> - 0 0 28 91,-0.1 4,-1.2 1,-0.1 3,-0.7 -0.909 360.0-105.3-135.4 164.3 23.9 -43.0 -3.6 3 3 A L H 3> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 3,-0.5 0.907 118.0 68.6 -54.3 -40.3 20.8 -44.6 -2.2 4 4 A R H 3> S+ 0 0 76 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.871 97.7 49.1 -42.7 -51.4 20.4 -46.0 -5.8 5 5 A H H <> S+ 0 0 11 -3,-0.7 4,-2.6 2,-0.2 -1,-0.3 0.864 114.4 45.3 -62.0 -38.6 23.5 -48.2 -5.3 6 6 A L H X S+ 0 0 0 -4,-1.2 4,-3.6 -3,-0.5 5,-0.3 0.987 112.4 48.7 -69.2 -56.5 22.2 -49.5 -2.0 7 7 A R H X S+ 0 0 81 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.865 116.0 45.8 -50.4 -42.1 18.6 -50.1 -3.2 8 8 A Y H X S+ 0 0 45 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.3 0.942 113.0 49.3 -65.2 -48.7 20.1 -51.9 -6.2 9 9 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.932 111.3 49.9 -57.0 -45.6 22.5 -53.8 -4.1 10 10 A V H X S+ 0 0 10 -4,-3.6 4,-2.5 1,-0.2 5,-0.3 0.894 106.8 54.6 -62.3 -41.4 19.6 -54.8 -1.7 11 11 A A H X S+ 0 0 10 -4,-2.1 4,-1.7 -5,-0.3 6,-0.3 0.867 108.2 50.3 -61.7 -35.7 17.4 -56.0 -4.6 12 12 A V H X>S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.7 0.931 112.7 45.0 -66.1 -44.1 20.2 -58.3 -5.8 13 13 A V H <5S+ 0 0 28 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.1 0.954 115.0 45.0 -70.5 -50.4 20.8 -59.9 -2.4 14 14 A E H <5S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 123.7 36.9 -57.6 -40.4 17.1 -60.4 -1.5 15 15 A E H <5S- 0 0 70 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.619 93.9-142.7 -93.5 -16.5 16.3 -61.8 -5.0 16 16 A Q T <5S+ 0 0 100 -4,-2.1 39,-1.2 -5,-0.1 2,-0.2 0.780 72.5 79.8 57.7 32.2 19.6 -63.7 -5.5 17 17 A S >< - 0 0 23 -5,-0.7 4,-3.7 -6,-0.3 5,-0.2 -0.770 66.8-149.0-169.0 119.2 19.7 -62.7 -9.2 18 18 A F H > S+ 0 0 28 -2,-0.2 4,-3.9 2,-0.2 5,-0.2 0.894 108.2 52.3 -51.2 -39.4 20.7 -59.6 -11.2 19 19 A T H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.976 113.4 38.8 -63.6 -56.4 18.0 -60.7 -13.6 20 20 A K H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.840 118.9 51.3 -64.5 -33.0 15.2 -61.1 -11.0 21 21 A A H X S+ 0 0 0 -4,-3.7 4,-2.5 2,-0.2 5,-0.2 0.978 109.1 49.3 -61.2 -56.5 16.6 -58.0 -9.3 22 22 A A H X>S+ 0 0 3 -4,-3.9 5,-2.4 -5,-0.2 4,-0.7 0.821 110.3 52.4 -55.3 -37.5 16.6 -56.1 -12.6 23 23 A D H ><5S+ 0 0 123 -4,-2.4 3,-1.7 2,-0.2 -1,-0.2 0.985 110.5 45.7 -58.8 -59.8 13.0 -57.2 -13.3 24 24 A K H 3<5S+ 0 0 146 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 114.7 48.4 -55.6 -39.4 11.7 -56.0 -9.9 25 25 A L H 3<5S- 0 0 49 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.597 109.3-124.5 -75.8 -13.3 13.6 -52.7 -10.2 26 26 A C T <<5S+ 0 0 112 -3,-1.7 2,-0.3 -4,-0.7 -3,-0.2 0.910 74.6 105.5 61.6 43.9 12.2 -52.2 -13.7 27 27 A I S - 0 0 58 -2,-0.3 4,-1.4 -3,-0.1 5,-0.1 -0.408 34.1-114.9 -81.6 162.9 17.7 -54.0 -17.5 29 29 A Q H > S+ 0 0 87 2,-0.2 4,-2.8 1,-0.1 5,-0.2 0.895 107.4 52.4 -67.5 -43.7 20.2 -56.5 -16.2 30 30 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.976 107.5 47.9 -60.6 -55.9 23.4 -55.0 -17.6 31 31 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.910 114.1 50.3 -52.8 -42.0 23.0 -51.4 -16.3 32 32 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 3,-0.5 0.978 108.4 51.0 -51.8 -59.4 22.2 -52.9 -12.9 33 33 A S H X S+ 0 0 20 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.787 110.7 51.2 -49.4 -31.5 25.3 -55.1 -13.1 34 34 A R H X S+ 0 0 113 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.869 105.7 52.7 -77.2 -38.2 27.3 -51.9 -13.8 35 35 A Q H X S+ 0 0 41 -4,-2.2 4,-2.1 -3,-0.5 -2,-0.2 0.831 109.6 51.0 -65.9 -30.7 25.9 -50.0 -10.9 36 36 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.955 109.9 48.0 -71.8 -50.0 27.0 -52.9 -8.7 37 37 A Q H X S+ 0 0 54 -4,-1.8 4,-3.9 1,-0.2 5,-0.3 0.924 111.5 52.8 -48.4 -48.9 30.5 -52.9 -10.1 38 38 A N H X S+ 0 0 50 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.923 109.1 47.9 -53.9 -49.3 30.5 -49.2 -9.6 39 39 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.962 116.6 43.8 -56.6 -52.1 29.5 -49.6 -6.0 40 40 A E H X>S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 5,-1.4 0.937 112.8 49.2 -61.0 -50.9 32.2 -52.2 -5.4 41 41 A E H <5S+ 0 0 26 -4,-3.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 110.6 53.8 -61.9 -27.0 35.0 -50.4 -7.3 42 42 A E H <5S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.909 117.1 35.3 -72.3 -45.2 34.2 -47.3 -5.3 43 43 A L H <5S- 0 0 8 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.591 100.9-134.7 -75.7 -16.6 34.5 -49.2 -2.0 44 44 A G T <5 + 0 0 3 -4,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.788 68.9 120.7 58.5 27.7 37.3 -51.3 -3.3 45 45 A I < - 0 0 4 -5,-1.4 2,-0.9 -6,-0.2 -1,-0.2 -0.968 67.4-129.6-127.0 139.8 35.4 -54.1 -1.7 46 46 A Q + 0 0 64 -2,-0.4 15,-0.4 308,-0.3 14,-0.3 -0.758 28.5 173.6 -89.1 103.7 33.9 -57.3 -3.2 47 47 A L + 0 0 0 -2,-0.9 11,-1.8 13,-0.1 2,-0.4 0.773 61.5 45.0 -82.6 -29.4 30.3 -57.5 -1.9 48 48 A L B S-A 57 0A 1 9,-0.3 2,-0.3 13,-0.1 9,-0.3 -0.917 85.1-112.2-120.1 144.8 29.1 -60.5 -4.0 49 49 A E - 0 0 84 7,-3.4 2,-0.4 -2,-0.4 3,-0.4 -0.568 31.1-149.3 -69.5 128.1 30.6 -63.9 -4.7 50 50 A R S S+ 0 0 100 -2,-0.3 3,-0.1 1,-0.2 5,-0.0 -0.873 74.3 43.6 -98.5 138.5 31.5 -64.2 -8.3 51 51 A G S S+ 0 0 77 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.613 94.5 88.6 105.3 20.1 31.4 -67.7 -9.8 52 52 A S - 0 0 79 -3,-0.4 4,-0.3 4,-0.1 -1,-0.1 -0.924 62.4-131.3-157.3 127.4 28.1 -69.0 -8.4 53 53 A R S S+ 0 0 244 -2,-0.3 2,-0.2 2,-0.1 -36,-0.1 -0.971 94.0 52.5-104.0 126.7 24.4 -69.2 -9.1 54 54 A P S S- 0 0 83 0, 0.0 2,-0.5 0, 0.0 -37,-0.1 0.518 102.1-120.6 -72.1 167.6 22.6 -68.5 -6.9 55 55 A V - 0 0 20 -39,-1.2 2,-0.3 -2,-0.2 -2,-0.1 -0.716 38.2-178.5 -89.8 121.1 24.2 -65.1 -6.1 56 56 A K - 0 0 142 -2,-0.5 -7,-3.4 -7,-0.3 2,-0.1 -0.840 22.8-111.8-123.3 151.6 25.5 -64.9 -2.6 57 57 A T B -A 48 0A 22 -2,-0.3 -9,-0.3 -9,-0.3 -10,-0.1 -0.451 21.8-125.1 -82.2 156.5 27.3 -62.2 -0.5 58 58 A T > - 0 0 8 -11,-1.8 4,-2.8 -12,-0.1 3,-0.4 -0.581 42.9 -94.9 -85.3 158.5 30.8 -62.2 0.8 59 59 A P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.865 133.4 47.5 -42.3 -41.7 31.3 -61.7 4.6 60 60 A E H > S+ 0 0 47 -14,-0.3 4,-2.5 2,-0.2 5,-0.2 0.879 109.5 53.9 -67.9 -41.6 31.7 -58.0 3.8 61 61 A G H > S+ 0 0 0 -3,-0.4 4,-3.0 -15,-0.4 5,-0.2 0.962 108.1 49.1 -54.3 -52.6 28.7 -58.1 1.5 62 62 A H H X S+ 0 0 98 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.866 110.9 49.4 -60.6 -39.2 26.6 -59.5 4.3 63 63 A F H X S+ 0 0 46 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.946 113.7 46.1 -61.5 -48.6 27.7 -56.9 6.8 64 64 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.880 108.8 55.3 -63.7 -41.8 27.0 -54.1 4.4 65 65 A Y H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.942 104.1 55.1 -56.0 -50.0 23.6 -55.5 3.4 66 66 A Q H X S+ 0 0 91 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.909 112.7 41.0 -50.9 -46.6 22.6 -55.5 7.0 67 67 A Y H X S+ 0 0 126 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.819 110.5 61.5 -77.4 -24.2 23.4 -51.8 7.4 68 68 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.961 106.4 40.8 -61.9 -55.3 21.9 -51.0 4.0 69 69 A I H X S+ 0 0 60 -4,-2.3 4,-3.1 1,-0.3 5,-0.2 0.917 115.3 51.0 -67.8 -40.3 18.3 -52.1 4.7 70 70 A K H X S+ 0 0 127 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.3 0.831 113.6 47.1 -59.9 -33.0 18.3 -50.6 8.2 71 71 A L H X S+ 0 0 4 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.759 112.5 47.1 -84.0 -27.0 19.6 -47.4 6.6 72 72 A L H X S+ 0 0 22 -4,-1.8 4,-1.8 2,-0.2 3,-0.3 0.900 110.3 53.7 -79.6 -46.6 17.0 -47.4 3.8 73 73 A S H X S+ 0 0 60 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.874 107.0 52.8 -43.2 -46.0 14.3 -48.1 6.3 74 74 A N H X S+ 0 0 8 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.821 103.7 55.7 -70.0 -31.1 15.5 -45.1 8.2 75 75 A V H X S+ 0 0 3 -4,-1.0 4,-1.6 -3,-0.3 -1,-0.2 0.910 106.1 52.6 -62.0 -40.8 15.2 -42.9 5.2 76 76 A D H X S+ 0 0 102 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.881 111.6 43.9 -68.7 -37.7 11.6 -44.0 4.9 77 77 A Q H X S+ 0 0 96 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.886 108.2 59.6 -69.8 -38.2 10.8 -43.0 8.5 78 78 A M H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.856 110.2 42.9 -55.2 -36.2 12.7 -39.8 8.1 79 79 A V H X S+ 0 0 24 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.926 114.5 48.5 -79.1 -46.9 10.3 -38.9 5.3 80 80 A S H X S+ 0 0 74 -4,-2.1 4,-2.2 2,-0.2 3,-0.5 0.966 112.5 46.9 -54.8 -59.7 7.1 -40.0 7.0 81 81 A M H X S+ 0 0 79 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.879 111.4 53.8 -51.9 -40.3 7.8 -38.2 10.3 82 82 A T H X S+ 0 0 1 -4,-1.0 4,-1.2 -5,-0.4 -1,-0.2 0.871 107.5 49.8 -65.1 -38.3 8.7 -35.1 8.3 83 83 A K H < S+ 0 0 99 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.887 105.8 55.3 -68.7 -41.0 5.4 -35.2 6.4 84 84 A R H < S+ 0 0 202 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.923 106.5 53.0 -55.4 -44.0 3.3 -35.5 9.6 85 85 A I H < S+ 0 0 61 -4,-1.7 2,-2.2 1,-0.3 3,-0.4 0.835 90.4 75.7 -62.7 -34.7 5.1 -32.4 10.9 86 86 A A S < S+ 0 0 28 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.1 -0.070 85.4 69.1 -70.5 40.5 4.1 -30.4 7.8 87 87 A S S S+ 0 0 83 -2,-2.2 -1,-0.3 -3,-0.3 -2,-0.1 -0.223 79.8 75.4-150.8 43.1 0.6 -30.2 9.2 88 88 A G 0 0 58 -3,-0.4 -2,-0.1 0, 0.0 -3,-0.1 0.624 360.0 360.0-132.0 -38.2 1.2 -27.8 12.1 89 89 A H 0 0 223 -4,-0.3 -3,-0.1 0, 0.0 -4,-0.0 0.821 360.0 360.0 62.1 360.0 1.6 -24.3 10.8 90 !* 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 91 1 B M 0 0 24 0, 0.0 2,-0.3 0, 0.0 -87,-0.1 0.000 360.0 360.0 360.0-163.8 15.5 -39.5 -3.5 92 2 B E > - 0 0 27 -89,-0.1 4,-1.2 -90,-0.1 3,-0.2 -0.901 360.0-106.8-148.1 163.6 19.3 -39.6 -3.1 93 3 B L H > S+ 0 0 2 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.843 114.8 66.1 -66.3 -33.5 22.2 -38.8 -0.9 94 4 B R H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.954 100.4 50.5 -50.2 -50.0 23.1 -36.0 -3.2 95 5 B H H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.862 113.5 45.1 -58.5 -40.6 19.9 -34.2 -2.2 96 6 B L H X S+ 0 0 0 -4,-1.2 4,-3.3 2,-0.2 5,-0.3 0.987 112.7 47.9 -64.6 -60.5 20.6 -34.6 1.5 97 7 B R H X S+ 0 0 89 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.894 115.6 46.7 -49.4 -50.2 24.3 -33.6 1.4 98 8 B Y H X S+ 0 0 45 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.968 113.3 47.7 -52.0 -60.0 23.3 -30.5 -0.6 99 9 B F H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.896 112.7 49.0 -52.4 -47.4 20.4 -29.6 1.6 100 10 B V H X S+ 0 0 12 -4,-3.3 4,-3.1 2,-0.2 -1,-0.2 0.945 110.4 51.4 -58.4 -48.8 22.5 -30.0 4.7 101 11 B A H X S+ 0 0 13 -4,-2.8 4,-2.5 -5,-0.3 6,-0.2 0.956 111.4 47.7 -52.3 -54.6 25.2 -27.9 3.1 102 12 B V H X>S+ 0 0 1 -4,-3.0 5,-1.1 1,-0.2 4,-1.1 0.942 113.1 46.7 -49.9 -55.8 22.7 -25.2 2.4 103 13 B V H ><5S+ 0 0 22 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.923 111.5 51.7 -59.3 -46.2 21.2 -25.2 5.8 104 14 B E H 3<5S+ 0 0 113 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.908 116.4 39.3 -57.4 -46.5 24.6 -25.2 7.5 105 15 B E H 3<5S- 0 0 55 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.530 96.5-139.1 -76.9 -9.3 25.8 -22.1 5.5 106 16 B Q T <<5S+ 0 0 93 -4,-1.1 39,-1.2 -3,-0.9 2,-0.3 0.817 78.7 84.4 42.9 31.7 22.4 -20.4 5.7 107 17 B S >< - 0 0 26 -5,-1.1 4,-2.4 -6,-0.2 5,-0.2 -0.841 66.1-155.0-159.0 129.3 23.1 -19.6 2.1 108 18 B F H > S+ 0 0 48 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.908 104.1 52.1 -58.2 -43.9 22.7 -21.4 -1.2 109 19 B T H > S+ 0 0 91 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.886 111.7 43.7 -63.3 -43.7 25.5 -19.2 -2.6 110 20 B K H > S+ 0 0 126 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.909 117.3 46.0 -68.8 -44.8 28.0 -20.0 0.2 111 21 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.781 102.3 69.0 -66.0 -29.0 27.1 -23.7 0.1 112 22 B A H <>S+ 0 0 4 -4,-1.9 5,-2.5 1,-0.2 3,-0.4 0.971 109.1 31.1 -58.9 -59.9 27.3 -23.8 -3.7 113 23 B D H ><5S+ 0 0 69 -4,-1.2 3,-1.1 3,-0.3 -1,-0.2 0.708 111.2 67.8 -74.7 -19.5 31.0 -23.3 -4.0 114 24 B K H 3<5S+ 0 0 56 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.933 108.2 39.4 -56.4 -45.1 31.3 -25.2 -0.7 115 25 B L T 3<5S- 0 0 48 -4,-2.4 -1,-0.3 -3,-0.4 -2,-0.2 0.223 120.5-115.9 -85.9 10.8 30.1 -28.2 -2.7 116 26 B C T < 5S+ 0 0 92 -3,-1.1 2,-0.3 1,-0.2 -3,-0.3 0.879 81.8 104.0 51.7 41.4 32.3 -27.0 -5.7 117 27 B I S - 0 0 53 -2,-0.3 4,-1.3 -3,-0.1 -3,-0.0 -0.405 30.9-120.9 -83.5 160.2 27.2 -23.4 -9.0 119 29 B Q H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 104.2 58.9 -68.8 -41.1 24.3 -21.8 -7.1 120 30 B P H > S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.907 107.2 43.9 -62.8 -43.0 21.6 -22.3 -9.8 121 31 B P H > S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.942 111.2 57.0 -62.1 -46.4 21.8 -26.1 -10.1 122 32 B L H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 5,-0.3 0.946 105.1 50.7 -43.6 -59.4 21.9 -26.2 -6.3 123 33 B S H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.910 110.1 50.1 -46.7 -52.5 18.6 -24.3 -6.1 124 34 B R H X S+ 0 0 144 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.893 109.0 50.5 -57.2 -44.1 17.0 -26.8 -8.5 125 35 B Q H X S+ 0 0 40 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.948 112.2 47.3 -61.6 -45.1 18.2 -29.8 -6.6 126 36 B I H X S+ 0 0 2 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.827 111.9 52.1 -63.8 -34.1 16.8 -28.4 -3.4 127 37 B Q H X S+ 0 0 120 -4,-2.4 4,-3.3 -5,-0.3 3,-0.2 0.991 108.5 48.7 -62.8 -60.1 13.6 -27.5 -5.3 128 38 B N H X S+ 0 0 71 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.816 109.1 56.0 -47.5 -37.9 13.2 -31.1 -6.6 129 39 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.975 112.6 38.6 -61.2 -53.9 13.8 -32.3 -3.1 130 40 B E H X>S+ 0 0 20 -4,-1.9 5,-2.3 -3,-0.2 4,-1.2 0.867 117.4 53.6 -62.2 -36.4 10.9 -30.3 -1.6 131 41 B E H <5S+ 0 0 141 -4,-3.3 -2,-0.2 3,-0.2 -1,-0.2 0.889 108.1 48.0 -67.0 -41.0 9.0 -31.1 -4.7 132 42 B E H <5S+ 0 0 109 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 119.0 39.3 -68.3 -45.5 9.5 -34.8 -4.4 133 43 B L H <5S- 0 0 9 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.678 104.5-135.4 -69.5 -22.7 8.5 -34.8 -0.7 134 44 B G T <5 + 0 0 58 -4,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.932 67.1 115.1 60.8 44.3 5.8 -32.2 -1.6 135 45 B I S - 0 0 12 -11,-1.9 4,-2.8 -12,-0.1 5,-0.2 -0.392 44.4 -93.0 -78.2 174.3 10.9 -24.5 8.4 149 59 B P H > S+ 0 0 84 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.958 132.6 51.0 -49.1 -53.6 10.0 -26.8 11.3 150 60 B E H > S+ 0 0 33 -14,-0.2 4,-2.3 1,-0.2 5,-0.2 0.877 110.7 52.2 -52.6 -42.4 9.7 -29.7 8.8 151 61 B G H > S+ 0 0 0 -15,-0.3 4,-4.3 2,-0.2 -1,-0.2 0.987 105.6 51.5 -55.0 -64.0 13.2 -28.6 7.6 152 62 B H H X S+ 0 0 97 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.821 113.2 45.3 -43.9 -46.1 14.8 -28.6 11.1 153 63 B F H X S+ 0 0 64 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.985 117.0 43.4 -65.0 -58.7 13.6 -32.1 11.8 154 64 B F H X S+ 0 0 0 -4,-2.3 4,-4.2 -5,-0.2 5,-0.2 0.948 112.3 56.6 -44.6 -55.9 14.6 -33.4 8.4 155 65 B Y H X S+ 0 0 39 -4,-4.3 4,-2.5 1,-0.2 5,-0.2 0.920 109.6 41.9 -47.1 -62.2 17.9 -31.5 8.7 156 66 B Q H X S+ 0 0 106 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.911 116.9 48.3 -54.8 -45.2 18.9 -33.2 11.9 157 67 B Y H X S+ 0 0 30 -4,-2.7 4,-2.0 -5,-0.2 3,-0.5 0.942 109.4 54.8 -62.0 -43.4 17.8 -36.6 10.8 158 68 B A H X S+ 0 0 0 -4,-4.2 4,-2.7 1,-0.3 5,-0.3 0.938 105.3 51.5 -52.4 -49.5 19.6 -36.0 7.5 159 69 B I H X S+ 0 0 68 -4,-2.5 4,-1.6 1,-0.3 -1,-0.3 0.831 109.3 51.6 -62.6 -28.7 22.8 -35.3 9.3 160 70 B K H X S+ 0 0 85 -4,-1.5 4,-2.1 -3,-0.5 -1,-0.3 0.857 110.8 47.7 -72.9 -36.5 22.3 -38.6 11.3 161 71 B L H X S+ 0 0 2 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.871 110.3 49.6 -72.7 -39.8 21.8 -40.6 8.1 162 72 B L H X S+ 0 0 21 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.946 111.0 50.7 -68.1 -43.4 24.8 -39.2 6.3 163 73 B S H X S+ 0 0 54 -4,-1.6 4,-2.7 -5,-0.3 -2,-0.2 0.925 107.0 55.6 -52.6 -46.8 26.8 -40.0 9.4 164 74 B N H X S+ 0 0 32 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.928 105.1 52.2 -51.5 -46.1 25.3 -43.6 9.2 165 75 B V H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.926 109.4 48.9 -62.5 -42.7 26.6 -43.9 5.6 166 76 B D H X S+ 0 0 101 -4,-2.2 4,-2.7 2,-0.2 3,-0.4 0.989 111.4 49.4 -55.3 -58.8 30.1 -42.9 6.8 167 77 B Q H X S+ 0 0 104 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.901 110.1 51.7 -42.9 -57.2 29.9 -45.5 9.7 168 78 B M H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.898 113.0 45.1 -45.2 -49.6 28.8 -48.2 7.3 169 79 B V H X S+ 0 0 25 -4,-2.2 4,-3.1 -3,-0.4 5,-0.2 0.933 111.8 50.9 -69.9 -46.5 31.7 -47.5 4.9 170 80 B S H X S+ 0 0 53 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.920 113.1 45.5 -55.8 -47.7 34.3 -47.3 7.7 171 81 B M H X S+ 0 0 54 -4,-2.8 4,-3.1 -5,-0.3 -1,-0.2 0.933 114.4 46.7 -66.9 -43.3 33.3 -50.6 9.2 172 82 B T H X S+ 0 0 0 -4,-2.3 4,-3.4 -5,-0.3 5,-0.2 0.986 115.6 46.5 -63.2 -52.6 33.1 -52.4 6.0 173 83 B K H X S+ 0 0 45 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.938 110.7 54.0 -44.8 -54.0 36.5 -50.9 5.0 174 84 B R H <>S+ 0 0 103 -4,-3.4 5,-1.7 -5,-0.2 4,-0.5 0.921 112.8 42.7 -53.2 -45.8 37.8 -51.9 8.4 175 85 B I H ><5S+ 0 0 46 -4,-3.1 3,-2.4 5,-0.3 4,-0.2 0.983 113.2 51.6 -64.2 -56.1 36.7 -55.5 7.9 176 86 B A H 3<5S+ 0 0 25 -4,-3.4 51,-0.3 1,-0.3 -2,-0.2 0.839 102.9 60.1 -45.8 -42.4 37.9 -55.6 4.3 177 87 B S T 3<5S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.643 119.7-108.8 -66.3 -14.6 41.3 -54.3 5.4 178 88 B G T < 5S+ 0 0 45 -3,-2.4 -3,-0.2 -4,-0.5 -2,-0.1 0.791 85.6 117.8 89.8 33.3 41.7 -57.4 7.7 179 89 B H < 0 0 37 -5,-1.7 -3,-0.1 -4,-0.2 -4,-0.1 -0.386 360.0 360.0-128.7 55.3 41.3 -55.6 11.0 180 90 B H 0 0 196 -5,-0.2 -5,-0.3 -4,-0.1 -6,-0.1 0.527 360.0 360.0 50.3 360.0 38.2 -57.1 12.6 181 !* 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 0.0 182 1 C M 0 0 30 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 137.2 46.1 -40.1 3.0 183 2 C E >> - 0 0 36 88,-0.1 3,-0.9 87,-0.1 4,-0.9 -0.903 360.0-107.4-128.9 159.2 49.5 -38.4 3.2 184 3 C L H >> S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.2 3,-0.7 0.833 114.3 72.2 -50.2 -36.6 52.8 -39.1 1.6 185 4 C R H 3> S+ 0 0 74 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.920 94.1 51.0 -47.6 -52.6 53.9 -40.3 5.1 186 5 C H H <> S+ 0 0 12 -3,-0.9 4,-2.4 1,-0.2 -1,-0.3 0.820 113.4 46.3 -55.2 -35.6 51.8 -43.5 4.7 187 6 C L H S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 5,-0.6 0.886 112.3 46.5 -66.6 -41.0 58.1 -51.9 5.0 194 13 C V H <5S+ 0 0 23 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.931 113.7 48.2 -67.8 -44.6 57.8 -53.6 1.6 195 14 C E H <5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.923 121.5 34.5 -63.7 -44.5 61.4 -52.9 0.7 196 15 C E H <5S- 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.641 94.9-140.1 -86.4 -15.5 62.8 -54.2 3.9 197 16 C Q T <5S+ 0 0 98 -4,-1.6 39,-1.8 -5,-0.2 2,-0.3 0.741 74.1 82.3 57.7 27.4 60.2 -57.0 4.4 198 17 C S >< - 0 0 23 -5,-0.6 4,-2.8 -6,-0.3 5,-0.2 -0.900 67.0-149.3-160.7 128.9 60.0 -56.2 8.2 199 18 C F H > S+ 0 0 30 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.926 104.8 54.4 -61.0 -44.0 58.2 -53.6 10.3 200 19 C T H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.971 114.3 36.3 -49.0 -65.7 61.2 -53.8 12.7 201 20 C K H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.907 116.0 56.1 -62.1 -40.6 63.9 -53.1 10.1 202 21 C A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.929 109.0 46.0 -54.3 -48.1 61.6 -50.6 8.3 203 22 C A H X>S+ 0 0 3 -4,-2.9 5,-1.8 1,-0.2 4,-1.3 0.922 108.7 56.7 -64.7 -40.5 61.1 -48.7 11.4 204 23 C D H ><5S+ 0 0 123 -4,-2.4 3,-0.5 -5,-0.2 -1,-0.2 0.922 109.3 45.7 -56.2 -44.7 64.8 -48.8 12.1 205 24 C K H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 112.5 49.4 -65.8 -45.1 65.5 -47.2 8.7 206 25 C L H 3<5S- 0 0 46 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.607 110.7-124.0 -67.5 -14.4 62.8 -44.5 9.1 207 26 C C T <<5S+ 0 0 113 -4,-1.3 2,-0.3 -3,-0.5 -3,-0.2 0.964 73.2 108.8 62.9 51.1 64.2 -43.7 12.6 208 27 C I S - 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0 0 6 -5,-1.7 2,-0.8 -6,-0.2 -1,-0.3 -0.993 69.5-126.5-137.0 143.0 42.3 -53.0 1.5 227 46 C Q + 0 0 58 -2,-0.3 15,-0.4 -51,-0.3 14,-0.3 -0.799 28.3 174.2 -91.4 112.2 44.9 -55.4 2.8 228 47 C L + 0 0 0 -2,-0.8 11,-2.8 -11,-0.2 2,-0.4 0.844 62.8 44.9 -87.4 -35.2 48.3 -54.4 1.4 229 48 C L E S-C 238 0C 0 9,-0.3 2,-0.5 13,-0.1 9,-0.3 -0.908 84.6-116.2-116.7 140.2 50.6 -56.8 3.4 230 49 C E E -C 237 0C 75 7,-3.4 7,-0.6 -2,-0.4 3,-0.5 -0.599 25.8-153.0 -75.5 120.6 50.1 -60.5 4.0 231 50 C R S S+ 0 0 99 -2,-0.5 3,-0.1 1,-0.2 5,-0.0 -0.821 73.6 48.6 -87.3 133.7 49.7 -61.1 7.7 232 51 C G S S+ 0 0 91 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.311 87.1 82.0 123.2 -9.7 50.8 -64.6 8.7 233 52 C S - 0 0 71 -3,-0.5 -1,-0.2 1,-0.1 4,-0.2 -0.997 68.9-139.0-125.0 134.7 54.2 -65.2 7.1 234 53 C R S S+ 0 0 236 -2,-0.4 2,-1.1 2,-0.1 -1,-0.1 0.888 93.6 69.1 -71.6 -44.8 57.4 -63.8 8.8 235 54 C P S S- 0 0 78 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.687 101.1-129.9 -63.9 111.7 59.2 -62.6 5.8 236 55 C V + 0 0 23 -39,-1.8 2,-0.3 -2,-1.1 -2,-0.1 -0.472 36.5 178.1 -72.6 140.9 56.6 -59.8 5.4 237 56 C K E -C 230 0C 138 -7,-0.6 -7,-3.4 -4,-0.2 -4,-0.1 -0.992 26.2-104.9-152.4 144.8 55.3 -59.6 1.9 238 57 C T E -C 229 0C 19 -2,-0.3 -9,-0.3 -9,-0.3 -10,-0.1 -0.300 26.4-127.1 -75.5 155.3 52.7 -57.7 -0.2 239 58 C T > - 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