==== 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 03-DEC-07 3BJ6 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, MARR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI DSS-3; . AUTHOR Y.KIM,L.VOLKART,L.KEIGHER,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 79.5 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 . 15 5.0 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 2 0 0 0 4 2 0 0 0 0 2 0 0 0 2 0 2 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 . 1 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 . 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 -2 A S 0 0 154 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.0 -0.1 47.3 19.8 2 -1 A N > - 0 0 110 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.594 360.0 -76.6-113.9-175.3 2.7 48.2 22.2 3 0 A A T 3 S+ 0 0 102 1,-0.3 4,-0.3 -2,-0.2 3,-0.3 0.691 128.9 55.2 -63.1 -19.4 6.4 48.3 21.3 4 1 A X T 3> S+ 0 0 42 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.567 78.8 96.4 -90.2 -6.0 6.8 44.5 21.4 5 2 A T H <> S+ 0 0 31 -3,-1.9 4,-2.7 1,-0.2 5,-0.3 0.872 81.7 49.9 -56.7 -46.4 4.0 43.8 18.9 6 3 A H H > S+ 0 0 124 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.944 114.9 45.2 -55.8 -48.4 6.3 43.5 15.9 7 4 A E H > S+ 0 0 42 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.854 115.4 45.1 -67.6 -37.3 8.6 41.1 17.7 8 5 A T H X S+ 0 0 6 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.837 111.3 53.3 -77.3 -30.5 5.8 39.0 19.1 9 6 A D H X S+ 0 0 87 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.917 113.0 45.0 -63.2 -44.6 3.9 38.9 15.8 10 7 A Q H X S+ 0 0 37 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.933 114.6 47.2 -65.9 -44.9 7.1 37.6 14.2 11 8 A L H X S+ 0 0 4 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.915 109.9 54.6 -63.6 -42.6 7.8 35.1 17.0 12 9 A Y H X S+ 0 0 30 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.920 106.3 51.0 -55.5 -44.1 4.2 33.9 16.8 13 10 A Q H X S+ 0 0 100 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.916 111.4 48.5 -60.2 -42.2 4.5 33.3 13.1 14 11 A A H >< S+ 0 0 0 -4,-2.1 3,-0.7 2,-0.2 4,-0.4 0.938 111.8 48.9 -60.7 -47.1 7.7 31.2 13.8 15 12 A V H >< S+ 0 0 13 -4,-3.1 3,-1.8 1,-0.2 4,-0.3 0.928 107.6 55.3 -59.9 -42.9 5.8 29.3 16.6 16 13 A Q H >< S+ 0 0 91 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.757 98.0 63.8 -61.7 -25.5 2.9 28.6 14.2 17 14 A A T S+ 0 0 0 -3,-1.8 4,-2.4 -4,-0.4 -1,-0.2 0.874 86.9 49.0 -55.6 -43.7 6.2 24.3 14.2 19 16 A R H <> S+ 0 0 138 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 0.961 115.1 40.7 -67.1 -52.5 3.3 22.1 13.1 20 17 A P H > S+ 0 0 28 0, 0.0 4,-2.9 0, 0.0 -2,-0.2 0.910 114.4 56.9 -61.8 -33.9 4.0 22.2 9.3 21 18 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.934 106.4 47.1 -57.4 -48.9 7.8 21.9 10.1 22 19 A L H X S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 112.7 49.9 -61.1 -45.0 7.2 18.7 12.0 23 20 A R H X S+ 0 0 116 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.942 113.8 46.1 -51.8 -51.8 5.1 17.3 9.1 24 21 A N H X S+ 0 0 10 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.873 109.9 52.6 -65.7 -41.4 7.8 18.3 6.6 25 22 A I H X S+ 0 0 19 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.956 111.5 47.7 -54.2 -52.2 10.7 16.8 8.7 26 23 A T H X S+ 0 0 63 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.924 114.2 45.5 -59.2 -48.4 8.8 13.5 8.9 27 24 A A H X S+ 0 0 39 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.880 115.6 46.9 -60.5 -43.5 8.1 13.5 5.1 28 25 A A H X S+ 0 0 10 -4,-3.0 4,-1.3 2,-0.2 3,-0.3 0.923 111.9 50.4 -64.1 -46.5 11.8 14.5 4.3 29 26 A V H >X S+ 0 0 25 -4,-3.2 4,-2.6 -5,-0.2 3,-0.6 0.930 105.8 57.2 -57.6 -45.4 13.2 11.9 6.7 30 27 A E H 3X S+ 0 0 86 -4,-2.3 4,-2.6 1,-0.3 5,-0.2 0.828 99.5 58.8 -57.2 -36.5 10.9 9.2 5.1 31 28 A R H 3X S+ 0 0 103 -4,-1.2 4,-0.8 -3,-0.3 -1,-0.3 0.920 111.6 41.5 -57.5 -43.4 12.5 9.9 1.7 32 29 A G H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.9 0.887 105.1 55.7 -67.9 -38.7 14.7 6.0 5.2 34 31 A L H ><5S+ 0 0 73 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.808 97.4 64.4 -67.8 -26.8 12.9 4.3 2.3 35 32 A R H 3<5S+ 0 0 216 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.838 107.4 43.4 -60.0 -31.6 16.1 4.4 0.2 36 33 A E T <<5S- 0 0 63 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.203 126.3-104.8 -97.1 13.0 17.5 2.0 2.9 37 34 A G T < 5S+ 0 0 61 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.672 83.8 105.2 80.5 18.1 14.3 0.0 2.9 38 35 A V < - 0 0 4 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.895 61.8-121.6-131.7 161.3 12.8 1.2 6.2 39 36 A T > - 0 0 51 -2,-0.3 4,-2.4 -3,-0.1 5,-0.1 -0.392 34.4-104.3 -89.7 172.6 10.1 3.6 7.5 40 37 A V H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.886 122.8 50.7 -64.5 -41.3 10.4 6.7 9.7 41 38 A G H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 110.5 49.0 -63.1 -45.9 9.0 4.7 12.7 42 39 A Q H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.912 108.7 53.7 -60.0 -44.2 11.5 1.9 12.1 43 40 A R H X S+ 0 0 18 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.883 104.4 55.8 -52.0 -45.9 14.4 4.5 11.8 44 41 A A H X S+ 0 0 21 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.922 110.6 44.5 -58.7 -43.8 13.3 5.9 15.3 45 42 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.914 113.2 49.9 -67.8 -43.8 13.7 2.4 16.9 46 43 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.909 112.1 48.8 -60.1 -41.4 17.0 1.7 15.1 47 44 A E H X S+ 0 0 23 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.946 109.7 51.9 -64.3 -45.7 18.3 5.1 16.3 48 45 A G H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 112.1 45.2 -55.0 -44.7 17.2 4.3 19.8 49 46 A L H < S+ 0 0 0 -4,-2.5 51,-0.3 2,-0.2 -1,-0.2 0.773 108.4 57.5 -73.5 -25.4 19.0 1.0 19.9 50 47 A S H < S+ 0 0 64 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.913 112.7 41.7 -63.7 -42.2 22.1 2.6 18.3 51 48 A L H < S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.879 131.3 23.0 -74.6 -40.7 22.1 5.0 21.3 52 49 A T S >< S- 0 0 68 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.3 -0.691 77.4-161.8-130.5 80.3 21.3 2.4 23.9 53 50 A P T 3 S+ 0 0 82 0, 0.0 46,-0.2 0, 0.0 -3,-0.1 -0.320 80.4 26.8 -57.2 139.7 22.3 -1.2 22.8 54 51 A G T 3 S+ 0 0 5 44,-2.1 45,-0.2 1,-0.2 -5,-0.1 0.551 85.9 155.6 84.0 6.6 20.4 -3.8 24.9 55 52 A A E < -A 98 0A 3 -3,-1.5 43,-2.4 43,-0.5 -1,-0.2 -0.320 39.9-125.3 -64.7 152.8 17.4 -1.6 25.8 56 53 A T E > -A 97 0A 11 41,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.460 27.4-107.0 -85.5 164.9 14.1 -3.1 26.8 57 54 A A H > S+ 0 0 20 39,-0.5 4,-2.7 2,-0.2 5,-0.2 0.914 122.4 50.5 -61.4 -46.5 10.9 -2.1 24.9 58 55 A P H > S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.908 110.0 51.2 -59.8 -38.0 9.7 -0.1 27.9 59 56 A Q H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.911 110.7 47.6 -60.7 -45.1 13.1 1.7 28.0 60 57 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.910 110.4 53.1 -57.5 -47.7 12.9 2.5 24.3 61 58 A G H X>S+ 0 0 9 -4,-2.7 5,-1.9 1,-0.2 4,-0.9 0.923 112.1 44.5 -52.8 -49.3 9.3 3.8 24.8 62 59 A A H <5S+ 0 0 78 -4,-2.4 3,-0.3 3,-0.2 -2,-0.2 0.924 115.8 47.1 -61.2 -43.9 10.5 6.1 27.6 63 60 A A H <5S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 121.2 36.0 -67.7 -39.8 13.6 7.3 25.6 64 61 A L H <5S- 0 0 33 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.474 104.6-128.0 -90.7 -6.9 11.6 8.0 22.4 65 62 A Q T <5 + 0 0 115 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.938 62.1 138.9 53.2 50.8 8.4 9.2 24.3 66 63 A X < - 0 0 30 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.908 58.0 -99.0-123.9 152.5 6.3 6.7 22.4 67 64 A K > - 0 0 173 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.320 30.6-117.9 -70.5 151.8 3.4 4.4 23.5 68 65 A R H > S+ 0 0 211 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.864 113.5 56.8 -61.5 -35.2 4.1 0.8 24.2 69 66 A Q H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 109.2 46.0 -62.0 -41.5 1.8 -0.3 21.4 70 67 A Y H > S+ 0 0 84 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.924 113.3 48.0 -67.7 -47.1 3.7 1.7 18.8 71 68 A I H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.905 111.9 51.6 -59.4 -42.7 7.1 0.5 20.1 72 69 A S H X S+ 0 0 43 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.881 109.6 48.9 -63.3 -41.2 5.8 -3.1 20.1 73 70 A R H X S+ 0 0 107 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.927 115.1 43.9 -64.5 -45.3 4.6 -2.9 16.5 74 71 A I H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.886 108.2 56.8 -72.0 -43.1 7.9 -1.4 15.2 75 72 A L H X S+ 0 0 5 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.904 108.2 49.3 -55.1 -41.5 10.1 -3.8 17.2 76 73 A Q H X S+ 0 0 109 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.916 109.7 51.2 -64.0 -42.0 8.4 -6.7 15.4 77 74 A E H X S+ 0 0 51 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.935 113.9 42.6 -60.7 -48.0 8.8 -5.1 12.0 78 75 A V H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 6,-0.7 0.846 115.0 50.2 -72.9 -29.0 12.5 -4.5 12.4 79 76 A Q H ><5S+ 0 0 77 -4,-2.0 3,-1.5 -5,-0.3 -2,-0.2 0.931 109.7 49.9 -72.4 -44.0 13.1 -7.9 14.0 80 77 A R H 3<5S+ 0 0 187 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.837 109.0 53.9 -58.5 -34.9 11.2 -9.7 11.1 81 78 A A T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.497 118.1-115.6 -80.8 -1.2 13.4 -7.7 8.7 82 79 A G T < 5S+ 0 0 37 -3,-1.5 22,-0.4 2,-0.2 21,-0.3 0.762 83.0 119.0 76.1 26.8 16.5 -9.0 10.5 83 80 A L S S- 0 0 78 3,-0.2 3,-2.2 -3,-0.2 -1,-0.3 -0.815 70.2-163.9-147.0 94.4 14.6 -10.6 34.7 93 90 A A T 3 S+ 0 0 85 -2,-0.3 -4,-0.3 1,-0.3 -1,-0.1 0.797 88.2 58.5 -57.2 -36.2 13.6 -13.0 31.9 94 91 A R T 3 S+ 0 0 193 1,-0.2 2,-1.5 2,-0.1 -1,-0.3 0.648 86.9 83.8 -60.9 -26.2 10.4 -11.0 31.1 95 92 A S S < S- 0 0 37 -3,-2.2 -3,-0.2 -6,-0.2 -1,-0.2 -0.616 74.7-159.1 -88.7 79.0 12.6 -7.9 30.3 96 93 A H - 0 0 89 -2,-1.5 -39,-0.5 1,-0.1 2,-0.4 -0.346 4.1-152.2 -64.1 136.1 13.5 -8.7 26.7 97 94 A R E -AB 56 87A 72 -10,-1.2 -10,-2.7 -41,-0.2 2,-0.3 -0.927 7.9-153.7-118.0 137.8 16.6 -6.8 25.6 98 95 A Y E -AB 55 86A 22 -43,-2.4 -44,-2.1 -2,-0.4 -43,-0.5 -0.850 11.7-176.5-119.4 147.4 17.4 -5.8 22.0 99 96 A W E - B 0 85A 64 -14,-2.4 -14,-2.4 -2,-0.3 -49,-0.1 -0.987 32.5-106.8-135.1 145.4 20.4 -5.1 19.9 100 97 A L E - B 0 84A 23 -2,-0.3 -16,-0.3 -51,-0.3 -17,-0.1 -0.364 32.8-134.6 -59.5 143.9 21.0 -3.9 16.3 101 98 A T > - 0 0 17 -18,-2.2 4,-2.9 1,-0.1 5,-0.2 -0.512 34.5 -96.9 -85.5 167.7 22.2 -6.6 14.0 102 99 A P H > S+ 0 0 108 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.898 129.2 50.3 -53.6 -38.8 25.1 -5.8 11.6 103 100 A R H > S+ 0 0 132 -21,-0.3 4,-2.5 2,-0.2 5,-0.2 0.923 110.7 47.6 -62.0 -47.4 22.5 -5.0 8.9 104 101 A G H > S+ 0 0 0 -22,-0.4 4,-2.5 1,-0.2 5,-0.2 0.909 112.0 51.7 -58.1 -42.3 20.5 -2.8 11.2 105 102 A E H X S+ 0 0 116 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.892 109.6 48.3 -59.0 -45.1 23.7 -1.1 12.2 106 103 A A H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.3 49.9 -62.9 -45.6 24.6 -0.5 8.4 107 104 A I H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.950 112.5 43.8 -61.7 -50.7 21.1 0.9 7.7 108 105 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.902 113.6 52.6 -68.7 -33.0 21.0 3.4 10.6 109 106 A T H X S+ 0 0 87 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.915 111.6 46.3 -61.0 -46.7 24.6 4.5 9.9 110 107 A A H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.915 112.6 49.3 -64.1 -45.4 23.7 5.2 6.3 111 108 A I H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.947 112.6 47.6 -59.3 -47.4 20.5 7.0 7.2 112 109 A R H X S+ 0 0 48 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.880 109.7 52.5 -63.5 -39.5 22.3 9.3 9.7 113 110 A A H X S+ 0 0 63 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.910 112.1 46.5 -63.9 -42.3 25.2 10.1 7.3 114 111 A D H X S+ 0 0 54 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 112.3 49.5 -65.9 -46.4 22.7 11.2 4.7 115 112 A E H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.886 112.6 47.5 -58.9 -43.3 20.6 13.3 7.1 116 113 A X H X S+ 0 0 28 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.859 109.0 53.0 -71.1 -34.2 23.7 15.0 8.4 117 114 A A H X S+ 0 0 61 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.902 111.3 47.9 -65.3 -40.1 25.1 15.7 4.9 118 115 A K H X S+ 0 0 61 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.906 109.8 51.9 -67.1 -40.7 21.7 17.3 4.1 119 116 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.893 108.7 52.0 -60.9 -35.5 21.7 19.4 7.4 120 117 A A H X S+ 0 0 16 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.893 107.0 52.6 -66.4 -39.7 25.2 20.6 6.4 121 118 A L H < S+ 0 0 110 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.911 112.4 45.2 -57.9 -46.1 23.9 21.7 3.0 122 119 A F H >< S+ 0 0 15 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.937 109.0 55.7 -61.3 -47.7 21.2 23.6 4.7 123 120 A S H >< S+ 0 0 2 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.775 91.1 73.2 -62.5 -27.2 23.6 25.1 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141 A F H X S+ 0 0 30 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.923 112.4 40.8 -58.0 -47.8 9.1 28.0 28.3 145 142 A F H X S+ 0 0 16 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.885 111.5 57.1 -72.5 -36.4 6.0 26.3 27.0 146 143 A A H X S+ 0 0 29 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.934 109.6 46.7 -54.1 -45.8 6.7 23.2 29.2 147 144 A D H X S+ 0 0 76 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.881 111.0 50.0 -66.0 -42.7 6.7 25.5 32.2 148 145 A L H X S+ 0 0 28 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.913 111.4 50.1 -59.7 -44.0 3.5 27.3 31.1 149 146 A A H < S+ 0 0 29 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.861 117.9 39.1 -64.1 -39.1 1.8 23.9 30.7 150 147 A K H < S+ 0 0 187 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.822 133.0 22.1 -76.5 -31.6 3.0 22.8 34.2 151 148 A E H < 0 0 155 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.559 360.0 360.0-118.5 -17.5 2.4 26.1 36.0 152 149 A A < 0 0 54 -4,-3.2 -3,-0.1 -5,-0.3 -4,-0.1 0.245 360.0 360.0-126.9 360.0 -0.1 28.4 34.2 153 !* 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 0.0 154 -1 B N > 0 0 184 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -7.8 33.9 16.5 9.6 155 0 B A T 3 + 0 0 105 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.781 360.0 49.5 -56.2 -28.1 34.4 20.3 10.1 156 1 B X T 3> S+ 0 0 59 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.536 83.8 96.9 -86.2 -5.4 30.6 20.7 10.0 157 2 B T H <> S+ 0 0 50 -3,-2.3 4,-2.8 1,-0.2 5,-0.3 0.878 80.9 49.5 -57.6 -48.3 29.9 18.0 12.5 158 3 B H H > S+ 0 0 124 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.940 115.3 45.6 -53.7 -49.6 29.6 20.2 15.6 159 4 B E H > S+ 0 0 44 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.866 115.4 44.2 -65.8 -40.3 27.2 22.5 13.8 160 5 B T H X S+ 0 0 6 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.842 111.7 53.9 -74.2 -32.1 25.0 19.7 12.3 161 6 B D H X S+ 0 0 85 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.926 113.1 44.5 -61.9 -45.7 25.0 17.8 15.7 162 7 B Q H X S+ 0 0 35 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.930 114.8 47.0 -63.6 -47.1 23.7 21.0 17.3 163 8 B L H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.905 109.9 54.1 -64.7 -42.3 21.1 21.7 14.5 164 9 B Y H X S+ 0 0 28 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.920 106.1 52.6 -56.4 -42.6 20.0 18.1 14.6 165 10 B Q H X S+ 0 0 100 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.915 111.1 47.1 -59.2 -42.6 19.4 18.5 18.4 166 11 B A H >< S+ 0 0 0 -4,-2.0 3,-0.7 2,-0.2 4,-0.4 0.931 111.9 49.9 -62.3 -46.3 17.2 21.6 17.7 167 12 B V H >< S+ 0 0 13 -4,-2.8 3,-1.4 1,-0.3 4,-0.4 0.898 106.9 55.4 -60.5 -41.0 15.3 19.8 14.9 168 13 B Q H >< S+ 0 0 91 -4,-2.8 3,-0.6 1,-0.2 -1,-0.3 0.770 98.7 62.9 -62.6 -26.9 14.7 16.9 17.3 169 14 B A T S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.2 0.898 87.1 50.1 -56.9 -45.8 10.3 20.2 17.3 171 16 B R H <> S+ 0 0 119 -3,-0.6 4,-1.9 -4,-0.4 -1,-0.2 0.969 115.8 39.0 -62.0 -55.1 8.2 17.2 18.4 172 17 B P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.905 114.1 58.1 -62.6 -33.6 8.3 18.0 22.2 173 18 B L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.931 106.1 47.6 -55.0 -48.9 8.0 21.7 21.3 174 19 B L H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.920 112.0 49.5 -62.1 -45.8 4.7 21.2 19.5 175 20 B R H X S+ 0 0 117 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.882 113.8 47.0 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28.7 26.3 186 31 B L H ><5S+ 0 0 74 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.818 97.2 63.9 -67.0 -29.9 -9.6 26.8 29.2 187 32 B R H 3<5S+ 0 0 216 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.828 107.7 43.7 -56.3 -31.7 -9.5 30.0 31.3 188 33 B E T <<5S- 0 0 61 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.193 125.9-105.6 -97.7 13.1 -11.9 31.4 28.5 189 34 B G T < 5S+ 0 0 62 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.700 83.5 105.4 76.9 22.2 -13.9 28.2 28.5 190 35 B V < - 0 0 4 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.930 62.2-121.4-133.3 159.2 -12.7 26.8 25.2 191 36 B T > - 0 0 53 -2,-0.3 4,-2.5 -3,-0.1 5,-0.1 -0.398 34.3-104.3 -86.7 172.6 -10.4 24.0 24.0 192 37 B V H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.891 122.8 49.9 -62.9 -41.8 -7.3 24.4 21.7 193 38 B G H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 110.3 49.6 -63.9 -46.6 -9.2 23.0 18.7 194 39 B Q H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 108.8 53.4 -57.3 -45.4 -12.0 25.5 19.3 195 40 B R H X S+ 0 0 18 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.887 104.0 56.1 -53.7 -44.2 -9.5 28.3 19.6 196 41 B A H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.933 110.3 44.9 -57.1 -44.1 -8.0 27.3 16.2 197 42 B I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.906 113.2 49.6 -67.7 -44.0 -11.5 27.7 14.6 198 43 B L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.913 112.1 48.3 -60.4 -43.0 -12.2 31.0 16.3 199 44 B E H X S+ 0 0 24 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.924 110.4 52.5 -62.8 -44.9 -8.8 32.3 15.2 200 45 B G H X S+ 0 0 4 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.902 112.3 44.3 -54.4 -44.5 -9.6 31.1 11.6 201 46 B L H < S+ 0 0 1 -4,-2.3 51,-0.3 2,-0.2 -1,-0.2 0.762 108.5 57.6 -77.2 -23.7 -12.9 32.9 11.6 202 47 B S H < S+ 0 0 53 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.902 112.5 42.2 -67.0 -40.2 -11.3 36.0 13.1 203 48 B L H < S+ 0 0 126 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.852 131.1 22.5 -74.1 -38.4 -8.9 36.1 10.2 204 49 B T S >< S- 0 0 66 -4,-2.1 3,-1.6 -5,-0.2 -1,-0.3 -0.700 77.6-160.9-133.3 78.6 -11.6 35.3 7.5 205 50 B P T 3 S+ 0 0 82 0, 0.0 46,-0.2 0, 0.0 -3,-0.1 -0.331 80.7 25.5 -55.7 139.4 -15.1 36.2 8.6 206 51 B G T 3 S+ 0 0 5 44,-2.1 45,-0.2 1,-0.2 -5,-0.1 0.537 85.5 155.1 82.7 6.6 -17.7 34.3 6.5 207 52 B A < - 0 0 4 -3,-1.6 43,-2.2 43,-0.5 -1,-0.2 -0.295 40.5-124.2 -62.7 152.5 -15.4 31.4 5.6 208 53 B T B > -C 249 0B 9 41,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.457 27.1-106.1 -84.2 165.8 -17.0 28.1 4.7 209 54 B A H > S+ 0 0 23 39,-0.6 4,-2.7 2,-0.2 5,-0.2 0.927 122.7 50.3 -60.1 -46.8 -16.0 24.9 6.5 210 55 B P H > S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.923 110.3 50.4 -57.5 -42.2 -14.0 23.7 3.5 211 56 B Q H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 111.0 48.3 -59.2 -45.4 -12.2 27.0 3.4 212 57 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.906 109.8 53.2 -58.8 -46.3 -11.4 26.8 7.1 213 58 B G H X>S+ 0 0 10 -4,-2.7 5,-2.1 1,-0.2 4,-0.8 0.917 112.0 44.6 -52.6 -50.0 -10.1 23.3 6.6 214 59 B A H <5S+ 0 0 77 -4,-2.5 3,-0.3 3,-0.2 -2,-0.2 0.915 115.6 47.4 -60.6 -45.3 -7.8 24.4 3.8 215 60 B A H <5S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.9 36.2 -67.7 -37.6 -6.6 27.5 5.8 216 61 B L H <5S- 0 0 42 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.490 104.7-127.6 -92.2 -3.7 -6.0 25.5 9.0 217 62 B Q T <5 + 0 0 134 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.954 62.6 138.8 50.2 55.6 -4.7 22.4 7.2 218 63 B X < - 0 0 55 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.936 57.2 -99.8-128.4 151.4 -7.2 20.3 9.1 219 64 B K >> - 0 0 165 -2,-0.3 4,-2.3 -3,-0.1 3,-0.5 -0.368 30.0-116.5 -71.6 147.4 -9.5 17.4 8.0 220 65 B R H 3> S+ 0 0 220 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.865 113.7 56.6 -46.3 -47.6 -13.1 18.0 7.2 221 66 B Q H 3> S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 109.7 44.5 -55.8 -44.0 -14.2 15.7 10.1 222 67 B Y H <> S+ 0 0 77 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.921 113.7 48.4 -70.9 -45.2 -12.3 17.7 12.7 223 68 B I H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.926 111.7 52.1 -59.8 -44.0 -13.4 21.1 11.3 224 69 B S H X S+ 0 0 43 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.900 110.3 46.8 -59.6 -45.3 -17.0 19.8 11.3 225 70 B R H X S+ 0 0 114 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.932 114.8 46.0 -65.3 -47.5 -16.9 18.6 14.9 226 71 B I H X S+ 0 0 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21.8 265 110 B A H X S+ 0 0 65 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.911 111.5 47.4 -66.3 -38.4 -3.9 39.1 24.1 266 111 B D H X S+ 0 0 54 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 112.6 49.2 -66.6 -45.6 -2.8 36.6 26.8 267 112 B E H X S+ 0 0 20 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 112.2 47.1 -60.4 -43.2 -0.7 34.6 24.4 268 113 B X H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.877 108.8 54.6 -70.9 -34.8 1.1 37.7 23.0 269 114 B A H X S+ 0 0 62 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.917 110.5 46.8 -61.1 -43.8 1.8 39.0 26.5 270 115 B K H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.890 110.3 51.6 -65.5 -39.5 3.4 35.6 27.3 271 116 B L H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.882 108.2 53.5 -62.5 -36.4 5.5 35.7 24.1 272 117 B A H X S+ 0 0 16 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.902 107.5 50.8 -61.3 -44.0 6.6 39.2 25.1 273 118 B L H < S+ 0 0 107 -4,-1.9 3,-0.4 2,-0.2 4,-0.4 0.929 112.6 45.9 -55.8 -50.2 7.7 37.8 28.5 274 119 B F H >< S+ 0 0 14 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.939 109.5 55.1 -58.9 -47.1 9.7 35.1 26.7 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