==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 02-APR-12 4EGZ . COMPND 2 MOLECULE: ARABINOSE METABOLISM TRANSCRIPTIONAL REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.JAIN,D.T.NAIR . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 62.8 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 . 17 10.4 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 . 2 1.2 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 . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.7 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 0 2 0 0 0 0 2 2 0 0 0 0 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 . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 -12 A L 0 0 107 0, 0.0 2,-1.1 0, 0.0 13,-0.3 0.000 360.0 360.0 360.0 -23.2 -14.1 2.6 -38.8 2 -11 A E + 0 0 132 11,-0.1 2,-0.2 2,-0.0 15,-0.1 -0.607 360.0 58.6 -90.4 97.1 -12.7 0.7 -35.8 3 -10 A V + 0 0 41 -2,-1.1 11,-0.7 13,-0.1 2,-0.3 -0.767 50.3 174.6-178.6 167.8 -10.6 -2.3 -36.5 4 -9 A L E -A 13 0A 90 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.997 34.2-142.2-166.9 175.0 -7.3 -3.3 -38.2 5 -8 A F E -A 12 0A 108 7,-1.8 7,-1.0 -2,-0.3 2,-0.5 -0.955 45.1-123.9-136.3 121.5 -4.5 -5.5 -39.2 6 -7 A Q + 0 0 163 -2,-0.3 5,-0.1 5,-0.1 -2,-0.0 -0.547 45.1 145.9 -88.4 118.1 -1.2 -3.5 -39.3 7 -6 A G - 0 0 38 -2,-0.5 5,-0.1 3,-0.2 -2,-0.1 -0.929 43.5 -86.3-146.9 165.8 0.8 -3.4 -42.5 8 -5 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.033 96.7 32.4 -74.6 175.4 3.1 -1.1 -44.5 9 -4 A L S S- 0 0 181 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.936 131.4 -9.6 41.3 69.0 2.2 1.6 -47.1 10 -3 A G S S- 0 0 62 2,-0.0 2,-0.3 -3,-0.0 -3,-0.2 -0.578 86.3 -91.3 107.7-176.7 -1.1 2.4 -45.4 11 -2 A S - 0 0 55 -2,-0.2 2,-0.5 -5,-0.1 -5,-0.1 -0.977 32.4-128.1-141.2 130.0 -3.1 0.8 -42.6 12 -1 A E E -A 5 0A 118 -7,-1.0 -7,-1.8 -2,-0.3 2,-0.2 -0.665 32.2-176.6 -91.8 122.0 -5.7 -1.9 -43.2 13 0 A F E -A 4 0A 116 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.653 13.1-179.0-117.1 162.3 -9.1 -1.3 -41.6 14 1 A M - 0 0 89 -11,-0.7 3,-0.1 -13,-0.3 6,-0.0 -0.964 38.8 -87.1-150.3 162.7 -12.5 -3.0 -41.2 15 2 A L - 0 0 66 -2,-0.3 5,-0.1 1,-0.1 -11,-0.1 -0.380 55.5 -93.5 -66.6 150.8 -15.8 -2.2 -39.5 16 3 A P >> - 0 0 16 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.242 42.0-104.1 -58.9 159.0 -16.2 -3.1 -35.9 17 4 A K H 3> S+ 0 0 126 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.891 121.1 52.0 -55.7 -45.2 -17.8 -6.6 -35.3 18 5 A Y H 3> S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.793 107.4 54.8 -65.4 -28.3 -21.2 -5.3 -34.3 19 6 A A H <> S+ 0 0 14 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.906 107.2 49.0 -69.9 -43.0 -21.2 -3.2 -37.5 20 7 A Q H X S+ 0 0 85 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.930 111.3 50.0 -60.2 -46.1 -20.6 -6.3 -39.6 21 8 A V H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.944 109.4 52.6 -56.9 -47.9 -23.4 -8.1 -37.8 22 9 A K H X S+ 0 0 45 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.942 109.3 48.5 -50.6 -54.3 -25.6 -5.1 -38.5 23 10 A E H X S+ 0 0 113 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.911 112.0 49.6 -54.6 -45.7 -24.8 -5.3 -42.2 24 11 A E H X S+ 0 0 81 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.963 114.5 42.7 -60.1 -53.9 -25.5 -9.0 -42.3 25 12 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.934 114.4 49.5 -58.2 -50.8 -28.9 -8.8 -40.6 26 13 A S H X S+ 0 0 26 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.821 109.5 53.5 -62.1 -30.6 -30.1 -5.7 -42.4 27 14 A S H X S+ 0 0 37 -4,-2.0 4,-1.4 -5,-0.3 6,-0.3 0.877 105.0 54.1 -72.0 -36.8 -29.1 -7.4 -45.7 28 15 A W H <>S+ 0 0 45 -4,-2.1 5,-1.8 -5,-0.2 6,-0.8 0.944 114.1 43.0 -57.5 -46.4 -31.2 -10.4 -44.8 29 16 A I H ><5S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.2 5,-0.3 0.956 112.5 49.6 -65.1 -51.8 -34.1 -8.1 -44.2 30 17 A N H 3<5S+ 0 0 123 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.626 109.7 52.7 -69.3 -14.0 -33.6 -5.9 -47.3 31 18 A Q T 3<5S- 0 0 124 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.384 113.5-120.7 -95.3 0.8 -33.3 -9.0 -49.6 32 19 A G T < 5S+ 0 0 36 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.658 75.3 131.2 69.5 17.0 -36.6 -10.3 -48.1 33 20 A K S - 0 0 97 -2,-0.4 3,-2.2 1,-0.2 45,-0.3 -0.716 38.0 -67.6-111.3 154.7 -40.5 -10.9 -43.9 36 23 A P T 3 S+ 0 0 82 0, 0.0 45,-0.2 0, 0.0 -1,-0.2 0.066 120.3 14.1 -46.6 137.8 -42.4 -8.7 -41.5 37 24 A D T 3 S+ 0 0 108 43,-2.3 2,-0.3 1,-0.3 44,-0.1 0.372 98.2 123.3 75.2 -3.6 -43.5 -10.3 -38.2 38 25 A Q < - 0 0 121 -3,-2.2 42,-1.9 42,-0.2 -1,-0.3 -0.674 64.1-118.4 -83.4 144.2 -41.1 -13.2 -39.0 39 26 A K B -B 79 0B 122 -2,-0.3 40,-0.3 40,-0.2 -4,-0.1 -0.566 17.1-138.4 -86.1 144.3 -38.4 -13.8 -36.3 40 27 A I - 0 0 5 38,-2.9 38,-0.4 -2,-0.2 3,-0.1 -0.473 47.1 -69.3 -83.6 167.2 -34.7 -13.6 -36.9 41 28 A P - 0 0 54 0, 0.0 -1,-0.2 0, 0.0 36,-0.0 -0.252 64.9 -94.3 -52.1 148.0 -32.3 -16.1 -35.4 42 29 A T > - 0 0 79 1,-0.1 4,-3.1 -3,-0.1 5,-0.2 -0.235 30.6-110.1 -65.0 154.7 -32.0 -16.0 -31.6 43 30 A E H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 122.3 51.5 -51.4 -39.2 -29.3 -13.9 -30.0 44 31 A N H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 109.9 46.7 -63.6 -51.3 -27.7 -17.3 -29.0 45 32 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.933 113.0 51.5 -54.2 -47.2 -27.8 -18.7 -32.5 46 33 A L H X S+ 0 0 4 -4,-3.1 4,-2.6 1,-0.2 6,-0.3 0.896 109.4 48.0 -61.1 -44.1 -26.4 -15.5 -33.8 47 34 A M H X>S+ 0 0 49 -4,-2.4 4,-1.2 -5,-0.2 5,-0.7 0.881 113.6 48.4 -65.7 -36.8 -23.5 -15.4 -31.4 48 35 A Q H <5S+ 0 0 115 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.883 117.4 40.3 -70.0 -38.3 -22.7 -19.1 -32.2 49 36 A Q H <5S+ 0 0 137 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.845 121.9 40.3 -80.7 -36.2 -22.8 -18.6 -35.9 50 37 A F H <5S- 0 0 70 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.637 102.2-132.5 -84.0 -17.7 -21.1 -15.2 -36.0 51 38 A G T <5 + 0 0 63 -4,-1.2 2,-0.2 -5,-0.3 -3,-0.2 0.753 64.9 115.1 70.4 25.7 -18.6 -16.3 -33.4 52 39 A V < - 0 0 24 -5,-0.7 -1,-0.2 -6,-0.3 -2,-0.1 -0.683 69.7 -81.0-118.9 176.8 -18.9 -13.1 -31.3 53 40 A S >> - 0 0 59 -2,-0.2 4,-1.7 1,-0.1 3,-0.7 -0.322 37.1-112.2 -77.0 158.5 -20.2 -12.3 -27.8 54 41 A R H 3> S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.779 117.9 57.6 -58.2 -28.2 -23.9 -11.9 -26.9 55 42 A H H 3> S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.822 102.0 52.9 -75.7 -30.0 -23.2 -8.2 -26.3 56 43 A T H <> S+ 0 0 28 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.930 113.3 45.1 -66.3 -41.6 -21.9 -7.7 -29.8 57 44 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.926 113.8 48.3 -64.6 -47.3 -25.2 -9.3 -31.1 58 45 A R H X S+ 0 0 125 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.845 110.8 52.4 -65.7 -35.1 -27.3 -7.2 -28.7 59 46 A K H X S+ 0 0 82 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.964 111.6 44.8 -64.3 -52.7 -25.5 -4.1 -29.7 60 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.973 116.2 46.2 -55.3 -55.2 -26.1 -4.7 -33.5 61 48 A I H X S+ 0 0 8 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.842 109.9 55.5 -56.1 -36.1 -29.7 -5.6 -32.9 62 49 A G H X S+ 0 0 30 -4,-2.0 4,-2.5 -5,-0.2 3,-0.4 0.934 107.3 48.3 -64.6 -46.6 -30.2 -2.6 -30.6 63 50 A D H X S+ 0 0 40 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.885 111.3 52.2 -58.4 -37.6 -29.0 -0.3 -33.3 64 51 A L H <>S+ 0 0 4 -4,-2.1 5,-2.1 -5,-0.2 6,-1.3 0.739 109.2 48.1 -76.2 -22.1 -31.3 -2.0 -35.7 65 52 A V H ><5S+ 0 0 51 -4,-1.5 3,-1.2 -3,-0.4 -1,-0.2 0.852 104.3 59.7 -79.7 -39.7 -34.3 -1.5 -33.4 66 53 A S H 3<5S+ 0 0 111 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.810 107.7 48.2 -54.0 -29.9 -33.5 2.1 -32.9 67 54 A Q T 3<5S- 0 0 110 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.621 115.3-120.1 -84.4 -15.4 -33.9 2.3 -36.7 68 55 A G T < 5S+ 0 0 42 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.707 83.5 116.0 79.5 20.0 -37.2 0.5 -36.6 69 56 A L S > -C 77 0B 73 4,-3.3 4,-2.2 -2,-0.4 3,-1.0 -0.984 30.6-118.1-116.9 122.2 -40.2 -9.2 -27.4 74 61 A Q T 34 S+ 0 0 200 -2,-0.5 4,-0.0 1,-0.3 -2,-0.0 -0.427 102.8 2.2 -61.7 123.6 -38.7 -10.3 -24.1 75 62 A G T 34 S+ 0 0 89 -2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.063 127.8 74.8 81.8 -23.5 -39.2 -14.1 -24.0 76 63 A G T <4 S- 0 0 40 -3,-1.0 2,-0.3 1,-0.3 -2,-0.2 0.969 95.0-120.0 -75.9 -62.7 -40.8 -13.9 -27.4 77 64 A G E < - C 0 73B 24 -4,-2.2 -4,-3.3 2,-0.0 2,-0.4 -0.948 30.8 -62.3 145.7-169.2 -37.9 -13.3 -29.8 78 65 A T E - C 0 72B 14 -38,-0.4 -38,-2.9 -2,-0.3 2,-0.3 -0.958 49.8-172.7-121.4 140.3 -36.7 -10.7 -32.3 79 66 A F E -BC 39 71B 32 -8,-2.8 -8,-1.9 -2,-0.4 2,-0.4 -0.888 31.2-102.8-135.7 153.9 -38.6 -9.7 -35.5 80 67 A V E C 0 70B 6 -42,-1.9 -43,-2.3 -45,-0.3 -10,-0.3 -0.644 360.0 360.0 -74.6 127.8 -38.5 -7.7 -38.7 81 68 A A 0 0 71 -12,-3.5 -11,-0.2 -2,-0.4 -1,-0.1 0.753 360.0 360.0 -61.1 360.0 -40.5 -4.6 -38.2 82 !* 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 83 -14 B H 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.7 -30.2 -15.5 -6.1 84 -13 B H - 0 0 130 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.313 360.0-142.4 -13.8 116.0 -28.5 -12.1 -6.5 85 -12 B L + 0 0 117 1,-0.1 -1,-0.1 3,-0.0 0, 0.0 0.913 41.8 151.4 -63.5 -46.4 -24.9 -13.1 -7.5 86 -11 B E S S- 0 0 73 1,-0.1 2,-0.4 2,-0.0 13,-0.2 -0.263 70.4 -40.2 53.1-131.9 -23.0 -10.4 -5.5 87 -10 B V - 0 0 33 11,-2.5 2,-0.5 13,-0.1 -1,-0.1 -0.998 63.3-167.9-126.2 129.3 -19.6 -11.9 -4.8 88 -9 B L + 0 0 70 -2,-0.4 3,-0.1 9,-0.2 -2,-0.0 -0.969 19.4 174.5-123.7 126.2 -19.3 -15.5 -3.7 89 -8 B F S S- 0 0 118 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.837 76.0 -4.8 -86.6 -40.5 -16.3 -17.2 -2.2 90 -7 B Q - 0 0 115 1,-0.1 -1,-0.3 2,-0.1 7,-0.2 -0.965 58.1-133.7-152.2 159.9 -17.9 -20.6 -1.5 91 -6 B G + 0 0 55 -2,-0.3 -1,-0.1 -3,-0.1 6,-0.0 0.856 61.0 95.1 -87.0 -39.9 -21.3 -22.3 -1.6 92 -5 B P S S- 0 0 73 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.088 75.5 -32.0 -68.6 151.7 -22.1 -24.3 1.5 93 -4 B L S S+ 0 0 167 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.107 87.6 42.3 58.4-132.7 -24.1 -23.6 4.6 94 -3 B G S S- 0 0 76 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.221 98.2 -27.0 -4.1 -90.9 -24.6 -20.4 6.6 95 -2 B S S S- 0 0 109 0, 0.0 -1,-0.0 0, 0.0 2,-0.0 -0.774 79.9-115.2-151.8 139.2 -25.3 -16.8 5.8 96 -1 B E - 0 0 77 -2,-0.3 -5,-0.1 1,-0.1 -8,-0.1 -0.140 33.0 -68.7 -95.6-166.9 -23.9 -16.0 2.4 97 0 B F - 0 0 34 -7,-0.2 -9,-0.2 1,-0.1 -1,-0.1 0.272 48.8 -49.0 -93.0-167.3 -21.2 -13.9 0.9 98 1 B M - 0 0 79 1,-0.1 -11,-2.5 -12,-0.1 -1,-0.1 0.217 45.9-100.8 -66.6 161.8 -19.8 -10.6 -0.0 99 2 B L - 0 0 57 -13,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.353 55.5 -82.7 -65.8 155.3 -20.9 -7.4 -1.7 100 3 B P > - 0 0 26 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.154 44.0-107.7 -55.1 155.3 -19.9 -6.8 -5.4 101 4 B K H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 118.5 53.8 -56.8 -41.8 -16.5 -5.3 -5.9 102 5 B Y H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.843 107.4 51.5 -66.6 -33.6 -17.8 -1.9 -6.9 103 6 B A H > S+ 0 0 16 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.877 107.9 51.5 -70.5 -39.3 -19.8 -1.7 -3.7 104 7 B Q H X S+ 0 0 78 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.945 110.8 48.7 -59.3 -47.1 -16.8 -2.5 -1.6 105 8 B V H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.929 109.1 53.6 -57.6 -45.9 -14.9 0.3 -3.4 106 9 B K H X S+ 0 0 44 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.931 107.9 50.2 -51.9 -50.9 -17.9 2.6 -2.7 107 10 B E H X S+ 0 0 112 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.926 110.9 49.6 -55.7 -47.0 -17.7 1.8 1.0 108 11 B E H X S+ 0 0 80 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.960 113.8 43.3 -59.3 -53.6 -14.0 2.5 1.1 109 12 B I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 113.7 50.7 -57.8 -49.6 -14.2 5.9 -0.7 110 13 B S H X S+ 0 0 30 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.834 108.3 55.2 -59.6 -30.5 -17.2 6.9 1.3 111 14 B S H X S+ 0 0 48 -4,-1.9 4,-1.5 -5,-0.3 6,-0.3 0.929 104.3 52.4 -66.3 -46.2 -15.3 6.0 4.4 112 15 B W H <>S+ 0 0 43 -4,-2.2 5,-1.6 1,-0.2 6,-1.3 0.913 113.9 44.3 -55.1 -43.7 -12.4 8.3 3.5 113 16 B I H ><5S+ 0 0 20 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.942 114.0 47.5 -67.6 -46.0 -14.9 11.1 3.1 114 17 B N H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.551 110.0 51.2 -81.1 -7.5 -16.8 10.4 6.3 115 18 B Q T 3<5S- 0 0 130 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.371 114.1-121.4 -96.7 -0.6 -13.7 10.1 8.5 116 19 B G T < 5S+ 0 0 36 -3,-1.2 -3,-0.2 2,-0.2 3,-0.1 0.657 75.5 130.5 70.9 17.7 -12.6 13.4 7.0 117 20 B K S - 0 0 102 -2,-0.5 3,-2.4 1,-0.2 45,-0.4 -0.516 37.8 -72.7 -88.0 154.5 -11.9 17.3 3.1 120 23 B P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 45,-0.1 -0.105 121.0 16.1 -47.3 134.0 -14.5 19.0 0.9 121 24 B D T 3 S+ 0 0 101 43,-1.4 2,-0.2 1,-0.3 44,-0.1 0.347 98.4 125.7 79.1 -3.5 -13.1 20.2 -2.5 122 25 B Q < - 0 0 114 -3,-2.4 42,-2.2 1,-0.1 -1,-0.3 -0.568 64.0-106.9 -82.2 152.5 -10.0 17.9 -2.0 123 26 B K B -D 163 0C 126 40,-0.2 40,-0.3 -2,-0.2 -4,-0.1 -0.539 21.8-139.0 -80.8 137.2 -9.0 15.4 -4.7 124 27 B I - 0 0 3 38,-2.4 38,-0.4 -2,-0.2 2,-0.2 -0.567 43.7 -85.1 -84.3 156.2 -9.4 11.6 -4.3 125 28 B P - 0 0 60 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.488 67.2 -91.9 -62.3 132.8 -6.6 9.4 -5.5 126 29 B T > - 0 0 70 -2,-0.2 4,-3.4 3,-0.1 5,-0.2 0.328 23.7-104.3 -46.1 173.8 -7.1 8.9 -9.1 127 30 B E H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 122.7 45.2 -65.5 -44.8 -8.9 6.3 -11.2 128 31 B N H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 116.1 45.7 -57.5 -55.3 -5.6 4.7 -12.3 129 32 B E H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.936 111.4 53.4 -53.0 -50.5 -4.3 4.8 -8.8 130 33 B L H X S+ 0 0 3 -4,-3.4 4,-2.6 1,-0.2 5,-0.3 0.889 109.7 47.4 -56.1 -43.2 -7.5 3.4 -7.4 131 34 B M H X>S+ 0 0 40 -4,-2.4 4,-1.4 -5,-0.2 5,-0.8 0.860 112.0 49.7 -69.9 -34.4 -7.4 0.5 -9.7 132 35 B Q H <5S+ 0 0 130 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.868 116.7 41.6 -70.3 -35.5 -3.8 -0.3 -8.9 133 36 B Q H <5S+ 0 0 142 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.859 122.1 38.2 -79.7 -39.4 -4.4 -0.2 -5.2 134 37 B F H <5S- 0 0 71 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.689 101.7-130.7 -83.4 -20.5 -7.7 -2.0 -5.1 135 38 B G T <5 + 0 0 61 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.857 64.1 119.8 71.0 36.9 -6.7 -4.5 -7.8 136 39 B V < - 0 0 24 -5,-0.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.825 67.7 -83.7-128.1 168.1 -9.9 -4.0 -9.9 137 40 B S > - 0 0 64 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.223 37.2-115.1 -65.3 157.5 -10.8 -2.9 -13.4 138 41 B R H > S+ 0 0 137 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.825 117.2 57.9 -61.5 -30.5 -11.1 0.8 -14.3 139 42 B H H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.826 102.6 52.5 -71.8 -31.6 -14.8 0.1 -15.0 140 43 B T H > S+ 0 0 26 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.943 112.2 46.0 -64.8 -46.6 -15.3 -1.2 -11.4 141 44 B I H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.932 113.4 48.7 -57.8 -50.1 -13.8 2.0 -10.1 142 45 B R H X S+ 0 0 125 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.835 108.8 54.0 -63.4 -34.5 -15.8 4.2 -12.4 143 46 B K H X S+ 0 0 84 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.966 111.7 44.4 -64.2 -50.6 -19.0 2.4 -11.4 144 47 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.967 117.0 45.0 -55.3 -55.9 -18.3 3.0 -7.7 145 48 B I H X S+ 0 0 8 -4,-2.9 4,-1.9 1,-0.2 5,-0.2 0.915 111.0 53.6 -55.6 -46.9 -17.4 6.7 -8.3 146 49 B G H X S+ 0 0 30 -4,-2.6 4,-2.4 1,-0.2 3,-0.2 0.922 108.3 50.2 -56.7 -46.7 -20.3 7.3 -10.6 147 50 B D H X S+ 0 0 37 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.939 110.8 49.6 -55.3 -46.4 -22.7 5.9 -8.0 148 51 B L H <>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 6,-1.2 0.763 109.4 51.6 -68.5 -24.2 -21.1 8.3 -5.4 149 52 B V H ><5S+ 0 0 54 -4,-1.9 3,-1.4 -3,-0.2 -1,-0.2 0.890 105.5 56.1 -74.0 -41.7 -21.4 11.3 -7.8 150 53 B S H 3<5S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.839 108.3 46.4 -60.6 -35.5 -25.1 10.5 -8.3 151 54 B Q T 3<5S- 0 0 129 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.426 120.0-115.9 -87.1 1.6 -25.7 10.7 -4.5 152 55 B G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.610 83.3 118.7 81.8 14.8 -23.7 13.9 -4.6 153 56 B L S > -E 161 0C 71 4,-3.7 4,-2.5 -2,-0.4 3,-1.5 -0.963 28.0-119.9-123.1 116.1 -13.8 17.1 -13.6 158 61 B Q T 34 S+ 0 0 197 -2,-0.5 4,-0.0 1,-0.3 -2,-0.0 -0.323 101.9 0.7 -58.5 124.1 -12.7 15.7 -17.0 159 62 B G T 34 S+ 0 0 88 -2,-0.1 -1,-0.3 1,-0.1 0, 0.0 0.101 129.0 74.5 80.9 -22.8 -8.9 16.1 -17.2 160 63 B G T <4 S- 0 0 41 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.954 95.5-118.8 -79.8 -58.9 -9.1 17.6 -13.7 161 64 B G E < - E 0 157C 18 -4,-2.5 -4,-3.7 2,-0.0 2,-0.4 -0.924 31.7 -62.8 144.3-170.2 -9.7 14.7 -11.4 162 65 B T E - E 0 156C 10 -38,-0.4 -38,-2.4 -2,-0.3 2,-0.3 -0.928 51.7-171.6-119.0 146.6 -12.3 13.6 -8.9 163 66 B F E -DE 123 155C 36 -8,-2.8 -8,-2.1 -2,-0.4 -40,-0.2 -0.900 29.9 -96.4-140.1 154.1 -13.2 15.5 -5.8 164 67 B V E E 0 154C 2 -42,-2.2 -43,-1.4 -45,-0.4 -10,-0.3 -0.515 360.0 360.0 -64.7 134.8 -15.2 15.6 -2.5 165 68 B A 0 0 72 -12,-2.8 -1,-0.1 -2,-0.2 -43,-0.1 -0.714 360.0 360.0 -80.2 360.0 -18.5 17.3 -2.8