==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING PROTEIN 03-AUG-05 2BYK . COMPND 2 MOLECULE: CHRAC-14; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR C.FERNANDEZ-TORNERO,K.F.HARTLEPP,T.GRUNE,A.EBERHARTER, . 319 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 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 . 1 0.3 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 . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 3 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 2 2 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 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 29 A M 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 20.2 -14.7 18.0 112.2 2 30 A K + 0 0 55 1,-0.2 298,-0.0 2,-0.2 0, 0.0 -0.092 360.0 48.6-106.3 31.2 -12.8 20.2 114.7 3 31 A S S S+ 0 0 72 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.208 108.5 56.2-139.5 -9.4 -9.9 17.8 115.0 4 32 A S S S+ 0 0 64 1,-0.1 3,-0.3 3,-0.1 -2,-0.2 0.168 88.8 72.7-109.2 8.9 -9.7 17.4 111.2 5 33 A M S S+ 0 0 32 1,-0.2 2,-0.6 295,-0.0 -1,-0.1 0.684 86.0 69.7 -88.6 -27.3 -9.3 21.2 110.7 6 34 A D S S+ 0 0 19 3,-0.0 3,-0.3 2,-0.0 2,-0.3 -0.158 80.6 114.8 -80.9 36.5 -5.8 20.5 112.1 7 35 A T + 0 0 85 -2,-0.6 -3,-0.1 -3,-0.3 119,-0.0 -0.782 60.3 34.8-107.8 154.3 -5.1 18.7 108.9 8 36 A G S S- 0 0 22 -2,-0.3 -1,-0.2 1,-0.1 267,-0.1 0.858 82.8-177.5 71.1 35.4 -2.5 19.8 106.3 9 37 A L - 0 0 61 -3,-0.3 2,-0.5 1,-0.1 118,-0.4 -0.275 27.8-117.8 -66.5 149.4 -0.2 21.0 109.1 10 38 A I - 0 0 10 212,-0.2 -1,-0.1 257,-0.1 2,-0.1 -0.807 32.1-142.7 -92.8 125.7 3.1 22.7 108.2 11 39 A T > - 0 0 59 -2,-0.5 4,-2.3 116,-0.3 5,-0.2 -0.334 20.5-114.3 -84.6 166.2 6.1 20.8 109.5 12 40 A N H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 119.4 56.2 -64.1 -41.9 9.4 22.0 110.9 13 41 A E H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 110.3 46.4 -59.0 -34.6 11.2 20.6 108.0 14 42 A V H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.876 107.1 53.4 -76.1 -40.0 8.9 22.7 105.7 15 43 A L H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.955 112.4 50.3 -57.3 -46.3 9.2 26.0 107.7 16 44 A F H X S+ 0 0 53 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.956 112.0 42.5 -53.7 -61.7 12.9 25.4 107.2 17 45 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.897 114.0 53.7 -56.7 -41.7 12.9 24.8 103.5 18 46 A M H X S+ 0 0 8 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.884 112.2 43.9 -60.7 -40.1 10.4 27.7 103.0 19 47 A T H X S+ 0 0 47 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.892 111.9 52.9 -72.6 -40.4 12.7 30.1 104.8 20 48 A K H X S+ 0 0 69 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.875 112.2 43.8 -62.6 -40.9 15.9 28.9 103.1 21 49 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.689 107.6 57.8 -80.6 -19.6 14.5 29.4 99.6 22 50 A T H X S+ 0 0 12 -4,-1.0 4,-1.9 -5,-0.2 -1,-0.2 0.805 108.6 48.1 -77.7 -28.1 12.9 32.7 100.3 23 51 A E H X S+ 0 0 37 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.881 110.5 51.0 -74.5 -40.6 16.4 33.9 101.3 24 52 A L H X S+ 0 0 25 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.907 110.7 49.9 -61.7 -41.9 17.8 32.4 98.1 25 53 A F H X S+ 0 0 0 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.899 107.7 52.3 -64.0 -43.2 15.1 34.2 96.2 26 54 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.934 114.9 42.7 -58.2 -46.7 15.9 37.6 97.9 27 55 A R H X S+ 0 0 66 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.887 114.6 50.8 -66.9 -40.7 19.5 37.2 96.9 28 56 A H H X S+ 0 0 58 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.970 113.6 44.9 -60.4 -52.8 18.6 35.9 93.4 29 57 A L H X S+ 0 0 3 -4,-3.5 4,-2.2 2,-0.2 -2,-0.2 0.911 114.6 46.3 -58.4 -49.8 16.3 38.9 92.9 30 58 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.975 117.7 43.7 -57.3 -56.4 18.7 41.5 94.2 31 59 A G H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.804 112.2 51.2 -60.2 -36.0 21.6 40.1 92.2 32 60 A A H X S+ 0 0 24 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.914 108.0 53.2 -69.6 -40.5 19.7 39.6 89.0 33 61 A A H X S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.895 113.9 43.6 -59.6 -40.9 18.4 43.1 89.1 34 62 A Y H >X>S+ 0 0 7 -4,-1.8 4,-3.3 -5,-0.2 3,-0.9 0.950 114.7 45.3 -71.9 -52.2 22.0 44.4 89.5 35 63 A T H 3X5S+ 0 0 72 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.947 110.0 56.1 -55.9 -50.9 23.8 42.2 86.9 36 64 A E H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.709 119.0 33.3 -54.9 -23.9 21.0 42.8 84.3 37 65 A E H <<5S+ 0 0 75 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.806 136.9 16.1-103.4 -39.5 21.6 46.6 84.7 38 66 A F H ><5S- 0 0 38 -4,-3.3 3,-2.2 1,-0.3 2,-0.3 0.464 81.5-156.3-115.2 -3.2 25.3 47.0 85.3 39 67 A G T 3<> - 0 0 96 -2,-0.6 4,-0.9 45,-0.2 3,-0.8 -0.511 40.5 -97.0-102.1 176.5 17.2 51.9 92.0 48 76 A Y H >> S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.878 118.2 66.1 -60.4 -40.1 13.6 50.8 91.8 49 77 A E H 3> S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.821 97.0 55.5 -51.6 -36.5 13.6 51.0 88.0 50 78 A H H <> S+ 0 0 6 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.878 106.8 49.1 -67.1 -40.5 16.1 48.1 87.8 51 79 A L H < S+ 0 0 3 -4,-1.8 3,-0.5 2,-0.2 -2,-0.2 0.871 112.7 45.6 -72.9 -36.1 10.6 41.6 86.6 56 84 A N H 3< S+ 0 0 78 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.914 116.9 43.9 -69.5 -44.9 9.6 42.8 83.1 57 85 A K T 3< S+ 0 0 134 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.2 0.307 104.3 73.8 -86.4 7.8 12.4 40.9 81.5 58 86 A N < - 0 0 58 -3,-0.5 3,-0.3 -4,-0.3 -1,-0.0 -0.979 57.2-159.3-131.0 128.9 12.1 37.6 83.4 59 87 A K S > S+ 0 0 176 -2,-0.4 3,-1.3 1,-0.2 4,-0.2 0.834 95.5 52.2 -70.5 -35.5 9.5 34.9 83.0 60 88 A N T 3 S+ 0 0 21 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.707 107.5 55.1 -74.9 -17.0 10.0 33.3 86.3 61 89 A L T > S+ 0 0 0 -3,-0.3 3,-1.6 -7,-0.2 -1,-0.3 0.225 77.2 107.3 -95.1 11.8 9.5 36.7 87.9 62 90 A E G X + 0 0 62 -3,-1.3 3,-2.0 1,-0.3 4,-0.2 0.874 67.0 63.1 -57.3 -41.2 6.2 37.1 86.1 63 91 A F G 3 S+ 0 0 10 -3,-0.4 4,-0.3 1,-0.3 3,-0.3 0.594 94.5 63.6 -62.3 -11.1 4.2 36.6 89.3 64 92 A L G <> S+ 0 0 0 -3,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.345 71.7 102.1 -93.8 3.7 5.8 39.8 90.7 65 93 A L T <4 S+ 0 0 86 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.907 85.8 38.5 -56.4 -46.5 4.2 42.0 88.0 66 94 A Q T 4 S+ 0 0 122 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.865 118.9 48.0 -75.1 -33.2 1.4 43.4 90.2 67 95 A I T 4 S+ 0 0 13 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.691 118.1 41.0 -79.0 -20.9 3.6 43.7 93.4 68 96 A V S < S- 0 0 4 -4,-2.1 -1,-0.3 -16,-0.1 -4,-0.1 -0.715 87.5-169.0-128.8 80.2 6.4 45.5 91.5 69 97 A P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.008 35.0-106.6 -63.0 169.9 4.7 47.9 89.1 70 98 A Q S S+ 0 0 128 1,-0.2 2,-0.4 2,-0.1 -18,-0.1 0.891 107.2 33.0 -66.6 -42.2 6.2 49.9 86.3 71 99 A K 0 0 186 1,-0.1 -1,-0.2 -19,-0.0 -22,-0.0 -0.971 360.0 360.0-126.9 124.4 6.0 53.1 88.2 72 100 A I 0 0 97 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.1 0.801 360.0 360.0 -83.1 360.0 6.4 53.6 92.0 73 !* 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 74 11 B P 0 0 9 0, 0.0 158,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -35.0 12.0 41.0 107.2 75 12 B N + 0 0 129 3,-0.1 4,-0.3 2,-0.1 157,-0.0 0.747 360.0 34.1 -98.5 -33.0 13.3 44.6 107.2 76 13 B A S > S+ 0 0 75 2,-0.1 4,-1.0 3,-0.1 3,-0.4 0.926 120.8 42.8 -86.9 -54.9 16.5 43.8 109.0 77 14 B V H > S+ 0 0 29 1,-0.2 4,-1.0 154,-0.2 -1,-0.1 0.701 112.4 55.8 -68.2 -20.8 17.5 40.3 107.7 78 15 B I H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.763 101.2 56.9 -84.1 -24.2 16.5 41.2 104.1 79 16 B G H > S+ 0 0 16 -3,-0.4 4,-1.9 -4,-0.3 -2,-0.2 0.846 108.4 47.5 -72.0 -32.3 18.8 44.2 104.1 80 17 B R H X S+ 0 0 165 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.804 110.1 53.3 -75.0 -33.1 21.7 41.8 104.9 81 18 B L H X S+ 0 0 8 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.914 111.8 44.8 -67.3 -44.4 20.5 39.4 102.2 82 19 B I H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.874 114.0 48.4 -68.8 -38.8 20.6 42.2 99.7 83 20 B K H < S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.2 52.0 -68.6 -34.7 24.0 43.6 100.8 84 21 B E H < S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.765 111.5 46.4 -70.9 -28.2 25.4 40.0 100.7 85 22 B A H < S+ 0 0 34 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.760 105.5 64.8 -86.0 -30.4 24.2 39.5 97.1 86 23 B L S < S- 0 0 12 -4,-1.6 -55,-0.1 1,-0.1 6,-0.0 -0.551 104.3 -77.4 -93.7 160.2 25.4 42.7 95.6 87 24 B P > - 0 0 47 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.275 45.6-115.6 -53.6 139.7 29.0 43.9 95.2 88 25 B E T 3 S+ 0 0 204 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.629 117.5 49.7 -55.0 -12.4 30.3 45.1 98.5 89 26 B S T 3 S+ 0 0 68 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.539 94.2 92.0-103.1 -12.1 30.7 48.5 96.9 90 27 B A < - 0 0 20 -3,-2.3 2,-0.3 -47,-0.2 -45,-0.2 -0.151 60.2-146.9 -77.3 175.3 27.2 48.7 95.4 91 28 B S E -a 45 0A 61 -47,-2.6 -45,-3.8 -44,-0.0 2,-0.4 -0.976 7.7-147.0-145.6 157.5 24.0 50.3 96.9 92 29 B V E -a 46 0A 20 -2,-0.3 -45,-0.2 -47,-0.2 -47,-0.0 -0.994 25.5-122.8-128.8 128.7 20.2 49.9 97.0 93 30 B S > - 0 0 33 -47,-2.2 4,-2.4 -2,-0.4 5,-0.3 -0.266 27.9-110.8 -67.3 153.4 17.7 52.7 97.4 94 31 B K H > S+ 0 0 183 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.791 122.6 53.3 -53.1 -25.6 15.3 52.8 100.2 95 32 B E H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.921 106.1 47.1 -76.6 -48.5 12.8 52.2 97.4 96 33 B A H > S+ 0 0 0 -50,-0.3 4,-2.8 1,-0.2 5,-0.2 0.903 110.0 53.3 -62.6 -44.1 14.4 49.1 95.8 97 34 B R H X S+ 0 0 88 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.838 106.8 54.0 -61.6 -31.2 14.9 47.4 99.2 98 35 B A H X S+ 0 0 38 -4,-0.8 4,-2.3 -5,-0.3 -1,-0.2 0.930 109.8 46.3 -67.6 -46.8 11.2 47.9 99.9 99 36 B A H X S+ 0 0 2 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.951 111.0 52.2 -60.0 -51.4 10.2 46.2 96.6 100 37 B I H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.906 110.5 48.6 -52.2 -46.0 12.6 43.3 97.2 101 38 B A H X S+ 0 0 20 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.919 112.1 47.9 -62.9 -43.2 11.1 42.7 100.6 102 39 B R H X S+ 0 0 78 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.920 112.2 51.1 -63.0 -41.6 7.6 42.8 99.3 103 40 B A H X S+ 0 0 0 -4,-3.2 4,-3.5 1,-0.2 -2,-0.2 0.901 103.3 56.7 -60.7 -45.5 8.6 40.5 96.5 104 41 B A H X S+ 0 0 2 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.859 108.4 51.2 -55.0 -35.3 10.2 38.0 99.0 105 42 B S H X S+ 0 0 27 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.960 111.5 43.0 -67.3 -55.2 6.7 38.0 100.6 106 43 B V H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.923 111.4 57.9 -58.2 -42.8 4.7 37.2 97.5 107 44 B F H X S+ 0 0 0 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.953 108.5 45.0 -50.2 -55.5 7.4 34.7 96.5 108 45 B A H X S+ 0 0 25 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.886 114.8 46.7 -58.2 -43.0 6.8 32.8 99.7 109 46 B I H X S+ 0 0 19 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.917 113.7 49.9 -65.1 -44.0 3.0 32.9 99.5 110 47 B F H X S+ 0 0 3 -4,-3.3 4,-3.2 -5,-0.2 -2,-0.2 0.924 111.0 47.8 -59.4 -49.6 3.1 31.9 95.8 111 48 B V H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.3 -1,-0.2 0.850 115.3 44.9 -63.4 -37.3 5.5 28.9 96.5 112 49 B T H X S+ 0 0 6 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.950 113.0 51.0 -70.1 -49.2 3.4 27.7 99.4 113 50 B S H X S+ 0 0 8 -4,-3.1 4,-1.7 -5,-0.2 -2,-0.2 0.942 117.4 40.7 -50.0 -52.0 0.2 28.2 97.4 114 51 B S H X S+ 0 0 18 -4,-3.2 4,-2.7 2,-0.2 5,-0.3 0.939 112.8 51.6 -64.1 -51.8 1.8 26.2 94.5 115 52 B S H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.3 -1,-0.2 0.835 109.6 53.4 -55.3 -33.6 3.4 23.5 96.7 116 53 B T H X S+ 0 0 15 -4,-2.7 4,-1.0 2,-0.2 -1,-0.3 0.900 108.8 49.1 -66.5 -42.9 -0.0 23.1 98.3 117 54 B A H >X S+ 0 0 55 -4,-1.7 4,-1.5 -5,-0.2 3,-1.1 0.955 110.8 48.3 -60.7 -53.6 -1.5 22.6 94.8 118 55 B L H 3X S+ 0 0 10 -4,-2.7 4,-0.7 1,-0.3 -1,-0.2 0.816 106.2 59.2 -57.2 -34.9 1.1 20.0 93.8 119 56 B A H 3<>S+ 0 0 5 -4,-1.7 5,-1.9 -5,-0.3 -1,-0.3 0.794 107.9 44.9 -66.8 -29.3 0.5 18.2 97.0 120 57 B H H X<5S+ 0 0 113 -3,-1.1 3,-1.8 -4,-1.0 -1,-0.2 0.757 101.9 64.8 -86.0 -25.1 -3.2 17.7 96.2 121 58 B K H 3<5S+ 0 0 153 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.707 111.6 37.9 -67.4 -19.3 -2.4 16.7 92.6 122 59 B Q T 3<5S- 0 0 78 -4,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.050 114.4-135.7-113.5 16.8 -0.7 13.7 94.2 123 60 B N T < 5 + 0 0 136 -3,-1.8 2,-0.4 1,-0.1 -3,-0.2 0.560 51.3 145.3 29.7 34.5 -3.6 13.9 96.6 124 61 B H < - 0 0 44 -5,-1.9 -2,-0.1 2,-0.1 -1,-0.1 -0.759 55.5-116.6 -98.4 142.8 -1.5 13.4 99.8 125 62 B K S S+ 0 0 166 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.782 83.7 26.3 -38.4 -57.1 -2.4 15.1 103.1 126 63 B T S S- 0 0 38 -118,-0.1 2,-0.6 -7,-0.1 -2,-0.1 -0.586 83.4 -94.0-115.0 174.9 0.6 17.5 103.8 127 64 B I - 0 0 12 -118,-0.4 -116,-0.3 -2,-0.2 -113,-0.1 -0.799 39.6-159.6 -91.1 117.2 3.4 19.3 102.0 128 65 B T > - 0 0 49 -2,-0.6 4,-1.0 -13,-0.2 5,-0.1 -0.282 32.1-110.7 -85.7 176.5 6.6 17.4 101.8 129 66 B A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.726 121.5 57.4 -78.1 -21.7 10.0 18.9 101.2 130 67 B K H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.803 100.8 55.5 -77.1 -30.2 9.9 17.2 97.8 131 68 B D H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.846 112.0 43.0 -68.9 -37.7 6.7 19.0 96.9 132 69 B I H X S+ 0 0 2 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.855 113.3 52.1 -75.5 -37.2 8.3 22.3 97.6 133 70 B L H X S+ 0 0 22 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.872 113.4 45.0 -66.4 -34.5 11.4 21.1 95.8 134 71 B Q H X S+ 0 0 84 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.854 110.2 52.8 -76.3 -37.6 9.3 20.1 92.8 135 72 B T H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 6,-0.2 0.844 108.3 52.7 -66.8 -32.8 7.2 23.3 92.8 136 73 B L H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 3,-0.2 0.925 110.6 44.2 -69.4 -44.1 10.4 25.4 92.7 137 74 B T H ><5S+ 0 0 49 -4,-1.4 3,-0.8 1,-0.2 5,-0.3 0.839 114.6 53.9 -67.2 -29.0 11.8 23.5 89.7 138 75 B E H 3<5S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.756 104.5 51.5 -74.1 -29.3 8.4 23.9 88.3 139 76 B L T 3<5S- 0 0 5 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.310 124.4-102.8 -91.9 9.4 8.3 27.7 88.8 140 77 B D T < 5S+ 0 0 100 -3,-0.8 2,-0.5 -4,-0.1 3,-0.3 0.582 93.6 115.9 80.5 13.4 11.7 27.9 87.0 141 78 B F >< + 0 0 1 -5,-2.6 4,-0.6 -6,-0.2 3,-0.5 -0.512 27.3 132.3-106.5 59.3 13.7 28.3 90.1 142 79 B E T 4 + 0 0 124 -2,-0.5 -1,-0.2 -5,-0.3 3,-0.2 0.696 57.2 72.8 -84.3 -18.6 15.6 25.1 89.6 143 80 B S T 4 S+ 0 0 88 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.709 95.4 58.2 -65.9 -15.7 19.0 26.7 90.2 144 81 B F T > S+ 0 0 10 -3,-0.5 4,-1.9 1,-0.2 3,-0.5 0.909 86.4 74.4 -78.0 -46.0 17.8 26.7 93.8 145 82 B V H X S+ 0 0 24 -4,-0.6 4,-1.7 1,-0.2 5,-0.2 0.731 88.7 58.5 -40.9 -41.0 17.1 23.0 94.3 146 83 B P H >> S+ 0 0 75 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.979 112.2 37.9 -56.3 -60.3 20.8 21.9 94.5 147 84 B S H 3> S+ 0 0 43 -3,-0.5 4,-2.5 -4,-0.5 -2,-0.2 0.876 116.0 54.7 -57.2 -43.7 21.7 24.1 97.5 148 85 B L H 3X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.758 106.2 51.5 -64.4 -28.7 18.3 23.4 99.1 149 86 B T H X S+ 0 0 82 -4,-2.1 4,-1.2 1,-0.2 3,-0.5 0.795 112.9 54.1 -59.6 -27.3 21.0 17.3 113.0 159 96 B V H 3< S+ 0 0 75 -4,-1.8 2,-1.6 1,-0.2 -1,-0.2 0.910 98.5 61.7 -73.6 -41.7 17.4 16.3 113.6 160 97 B K T 3< S+ 0 0 190 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.181 108.4 45.0 -78.6 46.2 18.2 12.6 113.7 161 98 B E T <4 0 0 161 -2,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.389 360.0 360.0-148.8 -52.4 20.5 13.2 116.8 162 99 B K < 0 0 129 -4,-1.2 -1,-0.5 -3,-0.0 0, 0.0 -0.693 360.0 360.0-153.3 360.0 18.9 15.5 119.4 163 !* 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 0.0 164 33 C M 0 0 74 0, 0.0 -101,-0.1 0, 0.0 -50,-0.1 0.000 360.0 360.0 360.0 -31.3 3.3 28.3 86.2 165 34 C D + 0 0 86 -103,-0.1 3,-0.3 3,-0.1 2,-0.1 -0.177 360.0 111.9-107.6 34.6 1.7 31.8 86.1 166 35 C T + 0 0 90 1,-0.2 -52,-0.1 120,-0.0 121,-0.1 -0.227 69.1 18.1 -94.0-173.6 -1.5 30.3 87.5 167 36 C G S S- 0 0 9 -2,-0.1 -1,-0.2 120,-0.1 120,-0.1 0.620 85.7-174.6 8.7 65.0 -3.1 30.9 91.0 168 37 C L - 0 0 52 -3,-0.3 2,-0.7 1,-0.1 120,-0.6 -0.196 29.1-108.8 -74.7 170.0 -1.0 34.0 91.5 169 38 C I - 0 0 8 -106,-0.2 -102,-0.1 118,-0.1 -103,-0.1 -0.913 34.1-150.1-106.4 112.3 -1.0 36.1 94.7 170 39 C T > - 0 0 47 -2,-0.7 4,-1.5 118,-0.4 5,-0.1 -0.231 24.5-111.7 -72.8 168.6 -2.8 39.4 94.2 171 40 C N H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.843 117.7 56.2 -71.4 -33.7 -1.8 42.5 96.1 172 41 C E H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 108.8 48.8 -63.9 -38.5 -5.1 42.5 98.1 173 42 C V H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 109.1 50.7 -69.5 -37.1 -4.2 39.0 99.2 174 43 C L H X S+ 0 0 20 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.927 112.8 48.8 -65.3 -43.9 -0.6 39.9 100.2 175 44 C F H X S+ 0 0 47 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.948 112.3 46.5 -58.7 -53.4 -2.1 42.7 102.2 176 45 C L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.884 110.8 52.6 -59.0 -42.6 -4.7 40.5 103.9 177 46 C M H X S+ 0 0 8 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.859 110.7 48.0 -62.6 -37.0 -2.2 37.8 104.8 178 47 C T H X S+ 0 0 53 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.932 112.4 48.1 -68.1 -48.8 0.1 40.4 106.4 179 48 C K H X S+ 0 0 69 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.904 113.8 45.8 -59.9 -45.3 -2.7 41.9 108.5 180 49 C C H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.794 110.3 54.1 -73.0 -24.6 -4.0 38.6 109.7 181 50 C T H X S+ 0 0 7 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.839 108.0 50.8 -74.2 -32.9 -0.4 37.4 110.5 182 51 C E H X S+ 0 0 40 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.925 107.4 53.6 -66.5 -45.1 0.0 40.5 112.6 183 52 C L H X S+ 0 0 36 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.836 107.2 52.6 -58.3 -35.1 -3.3 39.7 114.4 184 53 C F H X S+ 0 0 0 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.926 102.7 56.2 -68.1 -46.1 -2.0 36.3 115.2 185 54 C V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.923 115.4 39.1 -50.0 -49.4 1.3 37.5 116.8 186 55 C R H X S+ 0 0 92 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.947 114.0 52.0 -67.4 -52.4 -0.8 39.6 119.2 187 56 C H H X S+ 0 0 59 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.900 115.0 45.0 -52.4 -41.0 -3.5 37.1 119.8 188 57 C L H X S+ 0 0 2 -4,-3.4 4,-2.0 2,-0.2 -1,-0.2 0.893 112.8 48.3 -71.2 -42.8 -0.7 34.6 120.6 189 58 C A H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.927 117.3 42.6 -63.5 -43.9 1.3 36.9 122.8 190 59 C G H X S+ 0 0 15 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.786 111.6 54.5 -72.5 -30.3 -1.8 37.9 124.8 191 60 C A H X S+ 0 0 14 -4,-1.8 4,-2.3 -5,-0.4 -1,-0.2 0.902 109.6 46.7 -69.9 -42.5 -3.2 34.3 124.9 192 61 C A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.839 117.0 45.4 -67.6 -33.5 0.0 33.0 126.5 193 62 C Y H X S+ 0 0 3 -4,-1.4 4,-2.6 -5,-0.2 5,-0.5 0.891 113.7 46.7 -77.3 -42.3 0.1 35.9 128.9 194 63 C T H X S+ 0 0 91 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.894 108.4 58.2 -65.9 -38.8 -3.6 35.7 129.8 195 64 C E H < S+ 0 0 63 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.876 119.3 27.3 -59.5 -39.2 -3.3 31.9 130.3 196 65 C E H < S+ 0 0 85 -4,-1.1 -2,-0.2 -5,-0.1 -1,-0.2 0.910 137.5 20.3 -91.3 -48.0 -0.6 32.3 132.9 197 66 C F H >< S- 0 0 35 -4,-2.6 3,-2.6 1,-0.2 -3,-0.2 0.411 79.6-173.3-105.6 1.1 -1.1 35.7 134.6 198 67 C G T 3< S- 0 0 36 -4,-1.5 -1,-0.2 -5,-0.5 -2,-0.1 -0.144 74.9 -8.3 45.5-120.3 -4.8 36.3 133.8 199 68 C Q T 3 S+ 0 0 194 -5,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.603 106.4 116.0 -82.7 -11.8 -5.7 39.9 134.9 200 69 C R < - 0 0 148 -3,-2.6 3,-0.3 -6,-0.1 2,-0.1 -0.372 57.4-146.7 -61.5 126.8 -2.4 40.2 136.7 201 70 C P + 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.370 63.3 28.7 -92.1 174.9 -0.3 43.0 135.1 202 71 C G S S+ 0 0 33 1,-0.1 2,-0.2 -2,-0.1 49,-0.1 0.775 79.2 144.5 47.4 45.3 3.4 43.6 134.6 203 72 C E - 0 0 61 -3,-0.3 49,-2.6 49,-0.1 2,-0.7 -0.573 53.4-105.9-106.5 171.1 4.6 40.0 134.4 204 73 C A E -b 252 0B 25 47,-0.2 2,-0.6 -2,-0.2 49,-0.2 -0.867 25.3-145.6-101.1 115.0 7.3 38.2 132.4 205 74 C L E -b 253 0B 0 47,-3.5 49,-2.1 -2,-0.7 52,-0.2 -0.691 25.4-170.2 -79.2 119.0 6.0 36.1 129.5 206 75 C K >> - 0 0 83 -2,-0.6 4,-0.8 47,-0.2 3,-0.8 -0.547 35.5-104.4-104.9 173.2 8.3 33.1 129.2 207 76 C Y H >> S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 3,-1.6 0.934 117.6 60.2 -61.7 -49.9 8.7 30.4 126.6 208 77 C E H 3> S+ 0 0 115 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.714 99.7 60.0 -51.2 -23.4 7.0 27.7 128.7 209 78 C H H <> S+ 0 0 6 -3,-0.8 4,-2.0 2,-0.2 -1,-0.3 0.830 106.0 46.2 -75.3 -34.4 4.0 30.0 128.7 210 79 C L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-2.1 0.968 114.1 56.4 -61.6 -52.2 -1.2 27.9 125.6 214 83 C V H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.0 49.6 -46.4 -32.8 -0.2 26.1 122.4 215 84 C N H 3< S+ 0 0 84 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.691 120.0 33.7 -81.7 -20.8 -0.9 23.0 124.4 216 85 C K H << S+ 0 0 140 -3,-2.1 -2,-0.2 -4,-0.9 -3,-0.2 0.866 99.9 76.4-100.5 -52.8 -4.3 24.1 125.7 217 86 C N >< - 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