==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/APOPTOSIS 24-SEP-12 4H9Q . COMPND 2 MOLECULE: HISTONE H3.3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.J.ELSASSER,H.HUANG,P.W.LEWIS,J.W.CHIN,D.C.ALLIS,D.J.PATEL . 386 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 54.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 1 2 1 0 1 1 0 0 0 0 0 0 2 0 1 0 0 0 2 0 1 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 0 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 . 0 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 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 37 A K 0 0 148 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.9 16.9 -11.3 -1.2 2 38 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 245,-0.1 -0.195 360.0-105.4 -54.7 140.9 20.0 -12.6 0.5 3 39 A H - 0 0 135 243,-0.2 245,-2.6 1,-0.0 2,-0.4 -0.476 35.1-140.7 -72.1 143.0 22.9 -13.7 -1.8 4 40 A R - 0 0 73 243,-0.2 2,-0.5 -2,-0.2 245,-0.1 -0.902 1.4-139.8-114.4 131.0 23.2 -17.5 -2.1 5 41 A Y - 0 0 3 -2,-0.4 237,-0.1 245,-0.4 236,-0.0 -0.777 17.2-176.1 -90.5 125.5 26.5 -19.4 -2.3 6 42 A R - 0 0 156 -2,-0.5 5,-0.1 236,-0.0 245,-0.0 -0.907 21.9-137.8-123.0 100.6 26.6 -22.4 -4.7 7 43 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.219 4.0-140.3 -57.0 143.9 29.9 -24.3 -4.5 8 44 A G S S+ 0 0 68 1,-0.2 3,-0.1 3,-0.1 183,-0.0 0.675 98.6 40.9 -76.3 -17.7 31.4 -25.3 -7.8 9 45 A T S S+ 0 0 65 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.489 114.4 42.3-112.7 -8.1 32.5 -28.7 -6.5 10 46 A V S S- 0 0 12 -3,-0.1 -1,-0.2 191,-0.0 2,-0.2 -0.991 77.8-121.3-145.3 132.6 29.6 -29.9 -4.3 11 47 A A >> - 0 0 30 -2,-0.3 4,-1.5 1,-0.1 3,-1.2 -0.474 20.4-127.0 -74.3 144.3 25.9 -29.8 -4.9 12 48 A L H 3> S+ 0 0 17 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.798 107.4 67.4 -60.5 -29.2 23.7 -28.0 -2.4 13 49 A R H 3> S+ 0 0 147 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.861 103.3 45.8 -62.1 -31.1 21.5 -31.0 -2.1 14 50 A E H <> S+ 0 0 12 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.915 111.1 52.4 -71.9 -45.3 24.5 -32.8 -0.4 15 51 A I H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.897 105.7 54.9 -55.1 -46.0 25.2 -29.8 1.8 16 52 A R H X S+ 0 0 49 -4,-2.7 4,-2.4 235,-0.2 -1,-0.2 0.886 107.9 48.7 -58.2 -41.4 21.6 -29.7 3.0 17 53 A R H X S+ 0 0 27 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.917 111.3 48.7 -70.2 -42.0 21.7 -33.3 4.2 18 54 A Y H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.929 111.2 51.6 -59.5 -44.7 25.0 -32.9 6.0 19 55 A Q H X S+ 0 0 35 -4,-2.6 4,-0.9 2,-0.2 3,-0.4 0.932 107.6 51.4 -55.9 -48.5 23.6 -29.8 7.7 20 56 A K H >X S+ 0 0 22 -4,-2.4 3,-1.2 1,-0.2 4,-0.6 0.913 104.8 58.3 -57.7 -40.7 20.5 -31.7 8.8 21 57 A S H >< S+ 0 0 9 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.866 103.5 51.4 -56.2 -38.0 22.8 -34.3 10.3 22 58 A T H 3< S+ 0 0 53 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.672 103.9 60.8 -74.2 -14.9 24.4 -31.6 12.4 23 59 A E H << S+ 0 0 43 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.560 76.4 117.2 -85.6 -8.4 20.9 -30.6 13.6 24 60 A L << - 0 0 28 -3,-0.9 4,-0.1 -4,-0.6 34,-0.1 -0.243 53.1-152.5 -64.1 149.2 20.0 -34.0 15.2 25 61 A L + 0 0 33 2,-0.1 2,-0.4 88,-0.0 -1,-0.1 0.762 67.9 81.4 -99.5 -29.2 19.4 -34.0 18.9 26 62 A I S S- 0 0 3 31,-0.1 83,-0.1 1,-0.1 35,-0.0 -0.670 90.5-109.0 -81.0 130.0 20.3 -37.5 20.1 27 63 A R > - 0 0 182 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.331 27.0-131.5 -55.7 136.2 24.1 -38.0 20.6 28 64 A K H > S+ 0 0 29 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 99.8 56.0 -70.4 -31.6 25.2 -40.2 17.8 29 65 A L H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.967 110.5 44.0 -65.5 -52.8 27.2 -42.7 20.0 30 66 A P H > S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.880 113.6 53.9 -57.6 -34.9 24.3 -43.5 22.2 31 67 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 3,-0.2 0.954 109.0 45.6 -63.9 -48.1 22.1 -43.8 19.1 32 68 A Q H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.867 111.7 54.6 -63.6 -33.8 24.4 -46.3 17.4 33 69 A R H X S+ 0 0 95 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.826 105.1 52.4 -68.0 -32.6 24.6 -48.2 20.7 34 70 A L H X S+ 0 0 19 -4,-1.8 4,-2.2 -3,-0.2 -2,-0.2 0.909 108.4 50.7 -68.0 -41.3 20.7 -48.4 20.8 35 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.939 110.3 50.4 -58.6 -44.5 20.8 -49.8 17.3 36 72 A R H X S+ 0 0 61 -4,-2.3 4,-2.5 181,-0.2 -2,-0.2 0.911 107.0 54.3 -55.9 -46.9 23.4 -52.3 18.5 37 73 A E H X S+ 0 0 85 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.898 113.3 42.4 -56.1 -44.0 21.2 -53.2 21.5 38 74 A I H >X S+ 0 0 0 -4,-2.2 3,-1.3 2,-0.2 4,-0.6 0.936 112.2 52.7 -68.1 -46.9 18.3 -54.0 19.1 39 75 A A H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 3,-1.2 0.855 100.1 63.2 -59.4 -37.4 20.4 -55.9 16.5 40 76 A Q H 3< S+ 0 0 85 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.802 100.2 54.0 -55.9 -31.5 21.8 -58.1 19.3 41 77 A D H << S+ 0 0 116 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.684 114.6 39.6 -78.7 -19.0 18.3 -59.4 19.8 42 78 A F H << S- 0 0 75 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.895 130.7 -21.3 -90.5 -51.3 17.8 -60.4 16.1 43 79 A K >< - 0 0 67 -4,-2.4 3,-1.1 3,-0.1 -1,-0.3 -0.895 41.9-143.6-172.6 122.7 21.2 -61.8 15.0 44 80 A T T 3 S+ 0 0 122 -2,-0.3 170,-0.3 1,-0.2 -4,-0.1 0.501 101.8 56.3 -77.0 -1.9 24.7 -61.5 16.3 45 81 A D T 3 S+ 0 0 88 -6,-0.1 2,-0.3 168,-0.1 -1,-0.2 0.252 76.3 121.1-116.0 10.1 26.1 -61.6 12.7 46 82 A L < - 0 0 2 -3,-1.1 2,-0.3 -7,-0.2 168,-0.3 -0.572 42.1-166.1 -70.9 133.2 24.1 -58.6 11.3 47 83 A R E -a 160 0A 107 112,-2.2 114,-3.2 -2,-0.3 2,-0.4 -0.883 6.1-148.6-112.7 156.5 26.2 -55.7 10.0 48 84 A F E -aB 161 212A 0 164,-2.1 164,-3.5 -2,-0.3 2,-0.2 -0.985 17.0-123.1-124.2 131.0 24.8 -52.3 9.2 49 85 A Q E >> - B 0 211A 20 112,-2.7 4,-1.3 -2,-0.4 3,-1.1 -0.545 29.0-124.6 -60.1 138.8 26.0 -49.8 6.5 50 86 A S H 3> S+ 0 0 2 160,-2.3 4,-2.0 157,-0.3 3,-0.3 0.888 112.8 57.7 -53.2 -40.3 26.9 -46.6 8.3 51 87 A A H 3> S+ 0 0 11 157,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.784 99.6 58.4 -64.5 -27.0 24.4 -44.8 6.0 52 88 A A H <> S+ 0 0 0 -3,-1.1 4,-2.4 156,-0.3 -1,-0.2 0.884 104.2 50.7 -69.1 -37.6 21.7 -47.1 7.3 53 89 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.909 110.2 50.9 -64.2 -43.5 22.4 -45.9 10.8 54 90 A G H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.914 110.3 47.7 -58.7 -45.8 22.1 -42.3 9.6 55 91 A A H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.917 111.2 52.3 -62.3 -43.7 18.8 -42.9 7.9 56 92 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.916 111.3 46.7 -55.8 -45.6 17.5 -44.6 11.0 57 93 A Q H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.924 111.5 49.0 -68.5 -42.8 18.5 -41.7 13.2 58 94 A E H X S+ 0 0 22 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.940 117.1 42.5 -60.6 -45.4 17.0 -39.0 10.9 59 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.903 112.5 52.6 -67.0 -44.4 13.7 -40.9 10.6 60 96 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.916 109.6 48.5 -62.2 -43.8 13.5 -41.8 14.3 61 97 A E H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.912 111.0 50.6 -64.8 -40.0 14.0 -38.2 15.5 62 98 A A H X S+ 0 0 31 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.902 109.9 51.8 -59.4 -39.8 11.3 -37.1 13.0 63 99 A F H X S+ 0 0 7 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.935 112.5 44.1 -62.5 -47.7 9.0 -39.7 14.4 64 100 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.936 112.9 51.2 -62.0 -48.6 9.5 -38.7 18.0 65 101 A V H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.919 107.6 53.2 -58.8 -42.3 9.2 -35.0 17.2 66 102 A A H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.860 103.6 56.7 -63.0 -36.7 5.9 -35.6 15.3 67 103 A L H X S+ 0 0 19 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.941 111.5 44.1 -55.4 -45.8 4.5 -37.4 18.4 68 104 A F H X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.897 110.2 54.0 -67.6 -40.0 5.2 -34.2 20.3 69 105 A E H X S+ 0 0 14 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.931 109.5 48.9 -55.9 -48.0 3.9 -31.8 17.6 70 106 A D H X S+ 0 0 3 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.923 112.1 47.7 -61.4 -44.7 0.6 -33.7 17.6 71 107 A T H >< S+ 0 0 1 -4,-2.0 3,-0.5 -5,-0.2 4,-0.4 0.932 111.7 51.3 -59.6 -46.1 0.3 -33.5 21.4 72 108 A N H >< S+ 0 0 5 -4,-2.8 3,-1.7 1,-0.2 216,-0.3 0.938 107.4 51.9 -52.5 -52.0 1.2 -29.8 21.3 73 109 A L H 3< S+ 0 0 21 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.730 109.8 49.8 -65.3 -21.2 -1.6 -29.1 18.7 74 110 A C T << S+ 0 0 45 -4,-1.2 2,-0.8 -3,-0.5 -1,-0.3 0.458 91.9 90.5 -93.1 -1.8 -4.2 -30.9 20.9 75 111 A T < + 0 0 29 -3,-1.7 2,-0.5 -4,-0.4 213,-0.5 -0.832 48.2 166.6-105.2 103.1 -3.3 -29.0 24.0 76 112 A I + 0 0 59 -2,-0.8 2,-0.3 212,-0.1 3,-0.1 -0.869 15.1 136.9-122.2 96.5 -5.3 -25.8 24.4 77 113 A H - 0 0 104 -2,-0.5 4,-0.1 1,-0.1 -2,-0.0 -0.989 52.8-134.6-137.7 147.0 -5.1 -24.1 27.8 78 114 A A S S+ 0 0 75 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.842 101.4 46.7 -68.6 -33.7 -4.7 -20.4 28.9 79 115 A K S S- 0 0 72 -3,-0.1 -1,-0.1 1,-0.0 210,-0.0 -0.910 104.0-103.1-107.8 139.1 -2.2 -21.5 31.5 80 116 A R - 0 0 102 -2,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.256 36.4-156.8 -65.0 144.7 0.6 -23.9 30.4 81 117 A V - 0 0 64 -4,-0.1 2,-0.4 44,-0.1 44,-0.3 -0.879 19.4-113.2-121.1 151.1 0.3 -27.5 31.4 82 118 A T - 0 0 32 -2,-0.3 2,-0.4 42,-0.1 44,-0.2 -0.709 36.4-122.3 -79.7 133.3 2.8 -30.3 31.8 83 119 A I B -c 126 0B 10 42,-3.1 44,-2.6 -2,-0.4 47,-0.2 -0.654 31.3-172.9 -83.6 128.2 2.4 -33.1 29.3 84 120 A F >> - 0 0 81 -2,-0.4 4,-1.5 42,-0.2 3,-1.3 -0.692 41.6 -95.0-111.3 165.4 1.8 -36.7 30.6 85 121 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 297,-0.2 0.853 123.2 58.0 -46.3 -41.5 1.7 -40.1 28.8 86 122 A K H 3> S+ 0 0 75 1,-0.2 4,-2.6 295,-0.2 5,-0.2 0.814 102.6 53.9 -62.4 -31.6 -2.1 -39.9 28.6 87 123 A D H <> S+ 0 0 54 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.897 108.6 48.2 -69.5 -42.6 -1.8 -36.6 26.7 88 124 A I H X S+ 0 0 8 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.936 113.9 48.1 -58.8 -47.3 0.4 -38.3 24.1 89 125 A Q H X S+ 0 0 29 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.935 113.2 46.2 -61.3 -49.4 -2.0 -41.2 23.8 90 126 A L H X S+ 0 0 96 -4,-2.6 4,-1.9 2,-0.2 6,-0.2 0.942 112.8 49.2 -59.6 -50.0 -5.1 -39.0 23.4 91 127 A A H X>S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.3 5,-1.0 0.881 108.3 54.2 -59.5 -39.4 -3.4 -36.7 20.9 92 128 A R H X5S+ 0 0 33 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.880 109.6 48.7 -62.6 -36.4 -2.3 -39.8 18.9 93 129 A R H <5S+ 0 0 176 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.854 115.1 45.3 -68.6 -33.3 -5.9 -40.9 18.9 94 130 A I H <5S- 0 0 111 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.903 141.2 -9.3 -79.5 -43.9 -7.1 -37.5 17.7 95 131 A R H <5S+ 0 0 91 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.380 111.1 93.0-140.4 0.1 -4.7 -36.6 14.9 96 132 A G S < - 0 0 48 -2,-0.8 4,-1.7 1,-0.1 5,-0.2 -0.141 17.8-115.0 -72.0 157.4 19.9 -38.2 28.3 111 31 B K H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 113.9 54.6 -53.4 -47.7 17.1 -36.1 29.9 112 32 B P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.884 105.9 52.3 -60.5 -37.9 18.3 -32.9 28.1 113 33 B A H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 111.4 46.4 -58.9 -45.7 18.1 -34.6 24.7 114 34 B I H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.893 110.6 53.7 -66.5 -38.6 14.5 -35.7 25.4 115 35 B R H X S+ 0 0 120 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.893 111.2 46.2 -56.9 -43.2 13.6 -32.2 26.6 116 36 B R H X S+ 0 0 147 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.835 109.8 53.1 -72.8 -35.6 14.9 -30.8 23.4 117 37 B L H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.937 112.4 45.1 -62.1 -45.8 13.1 -33.3 21.2 118 38 B A H ><>S+ 0 0 1 -4,-2.5 5,-2.6 1,-0.2 3,-0.7 0.927 112.7 51.9 -62.8 -42.3 9.9 -32.4 23.0 119 39 B R H ><5S+ 0 0 99 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.874 102.2 58.7 -61.2 -40.1 10.7 -28.7 22.7 120 40 B R H 3<5S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.796 106.4 50.0 -59.9 -29.5 11.3 -29.1 18.9 121 41 B G T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 -49,-0.2 0.395 127.7-103.9 -87.3 1.3 7.7 -30.3 18.8 122 42 B G T < 5S+ 0 0 0 -3,-1.9 2,-0.6 1,-0.3 -3,-0.2 0.437 80.2 132.8 90.8 0.6 6.6 -27.3 20.7 123 43 B V < + 0 0 4 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.772 27.3 176.8 -89.1 118.8 6.1 -29.1 24.0 124 44 B K + 0 0 79 -2,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.624 63.4 42.2 -99.2 -15.6 7.8 -27.1 26.8 125 45 B R + 0 0 122 -44,-0.3 -42,-3.1 -7,-0.1 2,-0.3 -0.972 62.8 178.9-140.1 119.4 7.0 -29.1 29.9 126 46 B I B -c 83 0B 25 -2,-0.4 -42,-0.2 -44,-0.2 -44,-0.1 -0.925 24.0-121.6-122.8 148.1 7.0 -32.9 30.2 127 47 B S >> - 0 0 11 -44,-2.6 3,-1.1 -2,-0.3 4,-0.6 -0.263 35.2 -98.1 -80.8 171.5 6.3 -35.2 33.2 128 48 B G H >> S+ 0 0 60 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.856 120.9 55.1 -57.7 -39.8 8.7 -37.8 34.7 129 49 B L H 3> S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.720 91.7 74.6 -69.3 -20.4 7.2 -40.7 32.9 130 50 B I H <> S+ 0 0 1 -3,-1.1 4,-2.6 -47,-0.2 -1,-0.2 0.834 89.5 58.2 -63.7 -31.7 7.8 -39.0 29.5 131 51 B Y H S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.925 112.1 45.7 -56.9 -46.3 18.3 -58.2 3.9 154 74 B E H ><5S+ 0 0 93 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.889 109.1 55.4 -67.5 -39.4 17.5 -61.9 4.4 155 75 B H H 3<5S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.2 49.2 -58.4 -35.6 15.4 -61.9 1.3 156 76 B A T 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.426 114.3-121.8 -81.8 2.3 18.4 -60.6 -0.6 157 77 B K T < 5 + 0 0 197 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.843 68.0 135.0 54.2 39.7 20.6 -63.3 1.0 158 78 B R < - 0 0 91 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.730 54.7-151.0-109.5 162.7 22.9 -60.6 2.5 159 79 B K S S+ 0 0 42 -2,-0.2 -112,-2.2 -3,-0.1 2,-0.5 0.372 78.6 76.9-110.4 -0.3 24.4 -60.2 6.0 160 80 B T E S-a 47 0A 9 -114,-0.2 2,-0.5 -7,-0.1 -112,-0.2 -0.954 74.2-138.5-115.6 124.2 24.5 -56.4 5.9 161 81 B V E -a 48 0A 0 -114,-3.2 -112,-2.7 -2,-0.5 -109,-0.2 -0.687 30.1-154.8 -75.2 121.6 21.5 -54.2 6.3 162 82 B T > - 0 0 21 -2,-0.5 4,-2.0 -13,-0.2 5,-0.2 -0.531 29.8-109.5 -98.1 165.6 21.9 -51.4 3.7 163 83 B A H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.873 122.3 56.7 -56.8 -36.3 20.5 -47.9 3.7 164 84 B M H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 103.3 51.8 -64.3 -43.1 18.2 -49.2 0.9 165 85 B D H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 110.6 49.8 -54.1 -45.5 16.8 -51.9 3.1 166 86 B V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.887 108.8 52.1 -64.8 -38.2 16.1 -49.2 5.7 167 87 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.969 109.6 47.4 -61.2 -52.0 14.4 -47.1 3.1 168 88 B Y H < S+ 0 0 20 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.873 115.7 47.8 -57.8 -35.8 12.1 -49.9 2.0 169 89 B A H >< S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.939 109.6 51.3 -67.8 -46.6 11.4 -50.5 5.7 170 90 B L H >< S+ 0 0 2 -4,-3.0 3,-1.8 1,-0.3 7,-0.5 0.852 101.6 61.0 -61.3 -37.5 10.7 -46.9 6.6 171 91 B K T 3< S+ 0 0 53 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.736 102.4 54.5 -61.8 -22.3 8.2 -46.5 3.8 172 92 B R T < S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.410 90.3 77.0 -90.5 0.8 6.2 -49.2 5.5 173 93 B Q S < S- 0 0 8 -3,-1.8 2,-0.4 1,-0.3 3,-0.3 0.246 98.6-115.2-100.0 12.4 6.0 -47.4 8.9 174 94 B G S S- 0 0 25 -3,-0.5 3,-0.4 1,-0.2 -1,-0.3 -0.747 71.4 -2.9 102.4-137.8 3.4 -44.8 8.0 175 95 B R S > S+ 0 0 65 -2,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.697 103.8 84.9 -74.6 -24.1 3.6 -41.1 7.8 176 96 B T T 3 S+ 0 0 12 -3,-0.3 -1,-0.2 1,-0.3 159,-0.1 0.880 111.0 15.0 -53.0 -49.4 7.2 -40.4 8.8 177 97 B L T > S+ 0 0 0 -7,-0.5 3,-1.9 -3,-0.4 -1,-0.3 0.081 90.4 151.8-111.3 20.7 8.8 -40.9 5.4 178 98 B Y T < + 0 0 169 -3,-1.4 157,-0.1 1,-0.2 -3,-0.1 -0.270 67.5 16.1 -58.1 131.2 5.6 -40.7 3.4 179 99 B G T > S+ 0 0 31 1,-0.3 3,-1.2 -8,-0.1 -1,-0.2 0.258 86.2 145.2 94.7 -14.7 6.1 -39.5 -0.2 180 100 B F T < + 0 0 16 -3,-1.9 -1,-0.3 1,-0.2 156,-0.1 -0.343 65.9 14.0 -58.2 133.5 9.9 -40.0 -0.3 181 101 B G T 3 0 0 39 154,-0.4 -1,-0.2 166,-0.1 155,-0.0 0.216 360.0 360.0 94.0 -14.4 11.4 -41.1 -3.6 182 102 B G < 0 0 85 -3,-1.2 165,-0.0 165,-0.1 164,-0.0 -0.919 360.0 360.0 157.1 360.0 8.4 -40.3 -5.8 183 !* 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 0.0 184 182 C R 0 0 156 0, 0.0 61,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 144.8 35.1 -10.2 -3.5 185 183 C G - 0 0 20 59,-0.2 2,-0.1 1,-0.1 60,-0.1 -0.365 360.0 -82.6 -82.3 155.8 37.1 -13.2 -2.2 186 184 C S > - 0 0 54 1,-0.2 4,-2.3 -2,-0.1 5,-0.2 -0.327 33.5-147.4 -54.6 123.2 40.4 -14.5 -3.4 187 185 C R H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 96.9 50.3 -62.7 -42.6 39.8 -16.8 -6.4 188 186 C R H > S+ 0 0 180 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 111.3 46.3 -62.0 -46.8 42.7 -19.0 -5.6 189 187 C Q H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 111.6 52.7 -67.1 -37.1 41.7 -19.5 -1.9 190 188 C I H X S+ 0 0 21 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.920 110.0 48.4 -60.9 -43.7 38.1 -20.2 -3.0 191 189 C Q H X S+ 0 0 98 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.900 112.7 48.4 -65.8 -38.9 39.3 -22.8 -5.4 192 190 C R H X S+ 0 0 148 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.945 113.1 46.7 -63.6 -49.3 41.5 -24.4 -2.7 193 191 C L H X S+ 0 0 38 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.883 110.7 52.3 -62.3 -39.4 38.8 -24.5 -0.1 194 192 C E H X S+ 0 0 25 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.864 106.9 53.7 -66.3 -34.5 36.3 -25.9 -2.6 195 193 C Q H X S+ 0 0 112 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.916 109.8 47.6 -60.1 -44.1 38.7 -28.7 -3.4 196 194 C L H X S+ 0 0 62 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.917 108.1 55.7 -62.7 -41.8 38.9 -29.4 0.3 197 195 C L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 109.0 46.5 -55.0 -46.7 35.1 -29.4 0.4 198 196 C A H X S+ 0 0 32 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.875 109.1 54.8 -66.0 -38.4 34.9 -32.0 -2.3 199 197 C L H X S+ 0 0 122 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.926 107.0 51.2 -58.5 -45.3 37.6 -34.1 -0.5 200 198 C Y H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 108.9 52.0 -55.6 -46.8 35.4 -34.0 2.6 201 199 C V H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.931 108.3 49.8 -57.7 -46.6 32.5 -35.2 0.5 202 200 C A H X S+ 0 0 57 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.897 112.7 47.3 -61.1 -40.0 34.4 -38.2 -0.9 203 201 C E H X S+ 0 0 68 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.892 110.1 52.5 -69.6 -37.9 35.5 -39.2 2.5 204 202 C I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.936 110.5 48.3 -59.7 -46.0 32.0 -38.9 3.9 205 203 C R H X S+ 0 0 79 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.884 110.0 51.7 -64.3 -39.8 30.7 -41.1 1.1 206 204 C R H >< S+ 0 0 115 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.930 112.3 45.9 -59.5 -45.9 33.5 -43.7 1.7 207 205 C L H >< S+ 0 0 4 -4,-2.4 3,-1.3 1,-0.2 -157,-0.3 0.864 106.0 60.1 -67.9 -34.9 32.5 -43.8 5.4 208 206 C Q H 3< S+ 0 0 12 -4,-2.4 -157,-2.1 1,-0.3 -156,-0.3 0.783 104.5 50.7 -62.3 -27.8 28.8 -44.1 4.6 209 207 C E T << S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.473 83.3 114.4 -90.3 -3.5 29.5 -47.3 2.7 210 208 C K < - 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