==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/APOPTOSIS 24-SEP-12 4H9N . 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) . 19195.0 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 . 12 3.1 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 . 209 54.1 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 3 0 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 0 150 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.2 16.9 11.2 23.5 2 38 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 245,-0.1 -0.145 360.0-104.0 -55.6 143.0 20.1 12.6 21.9 3 39 A H - 0 0 136 243,-0.2 245,-2.8 1,-0.0 2,-0.4 -0.496 35.7-140.7 -70.8 139.1 22.9 13.7 24.3 4 40 A R - 0 0 75 243,-0.2 2,-0.5 -2,-0.2 245,-0.1 -0.875 2.6-141.1-109.4 132.1 23.2 17.4 24.7 5 41 A Y - 0 0 2 -2,-0.4 237,-0.1 245,-0.4 236,-0.0 -0.803 16.0-175.2 -94.0 125.5 26.4 19.4 24.9 6 42 A R - 0 0 155 -2,-0.5 5,-0.1 236,-0.0 245,-0.0 -0.901 21.7-137.4-122.9 99.1 26.5 22.3 27.3 7 43 A P - 0 0 13 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.182 3.7-140.8 -55.7 145.4 29.8 24.2 27.1 8 44 A G S S+ 0 0 67 1,-0.2 3,-0.1 3,-0.1 183,-0.0 0.683 98.4 40.4 -79.7 -16.8 31.4 25.2 30.4 9 45 A T S S+ 0 0 65 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.498 114.8 43.3-113.5 -9.3 32.5 28.6 29.1 10 46 A V S S- 0 0 10 -3,-0.1 -1,-0.2 191,-0.0 2,-0.2 -0.992 77.7-122.6-143.4 131.2 29.6 29.8 27.0 11 47 A A >> - 0 0 32 -2,-0.4 4,-1.4 1,-0.1 3,-1.1 -0.477 20.8-127.0 -71.7 143.9 25.8 29.7 27.6 12 48 A L H 3> S+ 0 0 17 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.797 107.6 66.7 -60.5 -31.1 23.6 27.9 25.0 13 49 A R H 3> S+ 0 0 147 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.848 103.6 46.8 -62.4 -29.7 21.4 30.9 24.7 14 50 A E H <> S+ 0 0 14 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.906 110.8 51.3 -72.0 -43.6 24.4 32.7 23.2 15 51 A I H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.898 105.7 56.1 -59.3 -42.7 25.2 29.8 20.9 16 52 A R H X S+ 0 0 49 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.880 106.9 48.9 -60.1 -40.4 21.6 29.7 19.6 17 53 A R H X S+ 0 0 24 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.2 0.905 111.9 48.0 -69.4 -39.0 21.7 33.3 18.6 18 54 A Y H X S+ 0 0 4 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.906 110.2 53.8 -64.4 -40.7 25.0 32.8 16.7 19 55 A Q H >X S+ 0 0 35 -4,-2.8 3,-0.8 1,-0.2 4,-0.6 0.940 106.3 51.4 -57.3 -47.3 23.5 29.7 15.1 20 56 A K H >< S+ 0 0 18 -4,-2.2 3,-1.3 1,-0.3 4,-0.5 0.876 102.7 60.7 -60.2 -37.6 20.5 31.6 13.8 21 57 A S H >< S+ 0 0 9 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.854 102.2 52.1 -54.5 -36.6 22.9 34.2 12.3 22 58 A T H << S+ 0 0 54 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.626 104.0 59.3 -78.3 -11.1 24.4 31.5 10.1 23 59 A E T << S+ 0 0 39 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.496 76.5 118.4 -93.7 -6.2 20.9 30.6 8.9 24 60 A L < - 0 0 23 -3,-0.9 4,-0.1 -4,-0.5 34,-0.1 -0.286 53.0-153.1 -64.7 147.2 20.0 34.0 7.5 25 61 A L + 0 0 34 2,-0.1 2,-0.4 88,-0.0 -1,-0.1 0.797 67.2 80.3 -98.0 -30.7 19.4 33.9 3.8 26 62 A I S S- 0 0 4 31,-0.1 83,-0.1 1,-0.1 -2,-0.0 -0.634 90.3-108.3 -81.0 130.1 20.3 37.4 2.5 27 63 A R > - 0 0 170 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.329 26.0-131.6 -56.4 136.5 24.0 37.9 2.0 28 64 A K H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.810 100.5 56.4 -68.3 -31.5 25.3 40.2 4.8 29 65 A L H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.963 111.1 42.9 -65.4 -52.4 27.2 42.6 2.5 30 66 A P H > S+ 0 0 27 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.853 113.7 55.2 -58.9 -34.1 24.2 43.5 0.4 31 67 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.960 109.1 43.5 -63.3 -51.0 22.1 43.7 3.5 32 68 A Q H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.850 111.6 56.7 -63.9 -31.6 24.3 46.2 5.2 33 69 A R H X S+ 0 0 95 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.837 104.7 51.9 -67.6 -31.7 24.5 48.1 1.9 34 70 A L H X S+ 0 0 17 -4,-1.7 4,-2.1 -3,-0.3 -2,-0.2 0.890 107.9 50.8 -70.4 -39.5 20.7 48.3 1.9 35 71 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.931 110.9 50.1 -60.3 -41.3 20.8 49.8 5.4 36 72 A R H X S+ 0 0 64 -4,-2.2 4,-2.4 181,-0.2 -2,-0.2 0.919 107.3 53.9 -60.6 -45.3 23.4 52.3 4.1 37 73 A E H < S+ 0 0 87 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.903 114.4 41.1 -55.9 -43.6 21.1 53.1 1.1 38 74 A I H >X S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.2 4,-0.6 0.937 112.2 54.5 -70.7 -47.3 18.2 53.9 3.5 39 75 A A H >X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 3,-1.1 0.833 98.8 62.9 -57.5 -37.4 20.4 55.7 6.0 40 76 A Q H 3< S+ 0 0 82 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.760 98.9 55.6 -58.7 -27.9 21.7 58.1 3.4 41 77 A D H <4 S+ 0 0 119 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.690 114.7 38.8 -81.2 -18.4 18.2 59.5 2.8 42 78 A F H << S- 0 0 77 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.911 130.3 -19.6 -88.2 -56.8 17.9 60.4 6.5 43 79 A K >< - 0 0 57 -4,-2.3 3,-1.1 1,-0.0 -1,-0.3 -0.937 40.3-146.3-167.7 122.7 21.2 61.7 7.6 44 80 A T T 3 S+ 0 0 121 -2,-0.3 170,-0.3 1,-0.2 -4,-0.1 0.603 101.5 57.1 -73.1 -11.2 24.8 61.4 6.4 45 81 A D T 3 S+ 0 0 84 -6,-0.1 -1,-0.2 168,-0.1 2,-0.2 0.287 78.0 122.4-108.0 10.5 26.1 61.5 9.9 46 82 A L < - 0 0 2 -3,-1.1 168,-0.4 -7,-0.2 2,-0.3 -0.510 40.0-169.2 -71.1 135.4 24.2 58.4 11.2 47 83 A R E -a 160 0A 101 112,-2.2 114,-3.4 -2,-0.2 2,-0.4 -0.885 6.9-150.4-118.1 159.4 26.1 55.5 12.6 48 84 A F E -aB 161 212A 0 164,-2.1 164,-3.2 -2,-0.3 114,-0.2 -0.997 17.8-123.3-130.1 129.3 24.8 52.0 13.4 49 85 A Q E >> - B 0 211A 21 112,-2.6 4,-1.5 -2,-0.4 3,-1.0 -0.497 28.8-123.4 -59.3 140.2 26.0 49.6 16.1 50 86 A S H 3> S+ 0 0 0 160,-2.4 4,-2.0 157,-0.4 159,-0.2 0.882 114.2 58.1 -52.9 -39.5 26.9 46.4 14.4 51 87 A A H 3> S+ 0 0 8 157,-2.2 4,-2.1 159,-0.2 -1,-0.3 0.810 101.1 56.2 -61.9 -31.3 24.4 44.7 16.7 52 88 A A H <> S+ 0 0 0 -3,-1.0 4,-2.5 156,-0.3 -1,-0.2 0.895 104.8 51.1 -69.2 -38.5 21.7 47.0 15.4 53 89 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.920 111.0 49.3 -62.5 -43.3 22.3 45.8 11.8 54 90 A G H X S+ 0 0 16 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.890 110.3 49.5 -63.1 -41.2 22.1 42.2 12.9 55 91 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.913 110.6 51.4 -64.4 -42.3 18.8 42.9 14.7 56 92 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.933 112.0 47.1 -58.2 -44.6 17.5 44.6 11.6 57 93 A Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.915 110.7 49.4 -68.9 -43.2 18.4 41.6 9.5 58 94 A E H X S+ 0 0 31 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.934 117.0 41.9 -59.2 -47.3 17.0 38.9 11.7 59 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.885 112.8 53.3 -68.1 -40.5 13.6 40.8 12.0 60 96 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.907 109.2 47.9 -65.6 -41.5 13.5 41.7 8.3 61 97 A E H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.904 111.7 50.8 -65.5 -38.9 14.0 38.2 7.1 62 98 A A H X S+ 0 0 30 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.895 109.2 52.3 -61.2 -40.6 11.3 37.0 9.6 63 99 A F H X S+ 0 0 6 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.921 112.5 44.3 -61.8 -47.0 9.0 39.7 8.2 64 100 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 3,-0.2 0.932 112.6 50.4 -64.1 -47.2 9.5 38.5 4.6 65 101 A V H X S+ 0 0 10 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.923 107.7 54.3 -59.1 -42.0 9.2 34.8 5.4 66 102 A A H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.840 103.1 56.4 -62.7 -34.5 5.9 35.4 7.3 67 103 A L H X S+ 0 0 17 -4,-1.4 4,-1.8 -3,-0.2 -1,-0.2 0.914 111.8 43.5 -59.9 -42.6 4.4 37.2 4.2 68 104 A F H X S+ 0 0 7 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.889 110.2 54.7 -70.9 -40.4 5.2 34.1 2.3 69 105 A E H X S+ 0 0 14 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.931 109.7 48.5 -53.3 -48.3 3.9 31.7 5.0 70 106 A D H X S+ 0 0 3 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.917 112.5 47.2 -61.4 -42.8 0.6 33.7 5.0 71 107 A T H < S+ 0 0 1 -4,-1.8 4,-0.3 2,-0.2 3,-0.2 0.920 111.8 51.6 -64.2 -44.6 0.3 33.5 1.2 72 108 A N H >< S+ 0 0 6 -4,-2.9 3,-1.8 49,-0.2 216,-0.3 0.946 107.9 51.2 -52.8 -52.4 1.2 29.8 1.3 73 109 A L H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 110.4 49.9 -62.8 -24.9 -1.6 29.1 3.9 74 110 A C T 3< S+ 0 0 45 -4,-1.4 2,-0.8 -3,-0.2 -1,-0.3 0.433 92.4 90.1 -91.0 1.8 -4.1 30.9 1.7 75 111 A T < + 0 0 32 -3,-1.8 2,-0.6 -4,-0.3 213,-0.5 -0.840 47.4 165.1-109.8 104.1 -3.2 28.9 -1.4 76 112 A I + 0 0 57 -2,-0.8 2,-0.3 212,-0.1 3,-0.1 -0.875 14.1 138.4-124.4 96.6 -5.2 25.7 -1.8 77 113 A H - 0 0 103 -2,-0.6 4,-0.1 1,-0.1 212,-0.0 -0.993 52.2-134.9-136.9 146.6 -5.1 24.1 -5.3 78 114 A A S S+ 0 0 72 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.881 101.9 47.6 -65.1 -38.6 -4.8 20.4 -6.3 79 115 A K S S- 0 0 74 -3,-0.1 -1,-0.1 1,-0.0 210,-0.0 -0.886 103.8-105.2-103.4 137.4 -2.2 21.5 -8.9 80 116 A R - 0 0 104 -2,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.301 37.3-157.6 -65.7 140.2 0.6 23.8 -7.7 81 117 A V - 0 0 65 -4,-0.1 2,-0.3 44,-0.1 44,-0.3 -0.833 19.4-111.2-118.3 153.1 0.4 27.5 -8.8 82 118 A T - 0 0 28 -2,-0.3 2,-0.4 42,-0.1 44,-0.2 -0.669 37.4-119.8 -77.9 136.1 2.9 30.3 -9.2 83 119 A I B -c 126 0B 6 42,-3.4 44,-2.8 -2,-0.3 47,-0.2 -0.666 32.3-171.6 -82.0 129.4 2.5 33.0 -6.6 84 120 A F >> - 0 0 83 -2,-0.4 3,-1.6 42,-0.2 4,-1.5 -0.752 40.5 -98.8-113.5 162.8 1.8 36.6 -7.9 85 121 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 297,-0.2 0.828 123.0 58.0 -45.5 -39.8 1.7 40.0 -6.3 86 122 A K H 3> S+ 0 0 79 1,-0.2 4,-2.1 295,-0.2 5,-0.2 0.815 103.0 53.4 -64.1 -31.0 -2.1 39.7 -6.1 87 123 A D H <> S+ 0 0 57 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.877 108.1 48.8 -69.8 -42.3 -1.8 36.5 -4.1 88 124 A I H X S+ 0 0 7 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.921 112.5 49.6 -59.6 -45.2 0.5 38.2 -1.5 89 125 A Q H X S+ 0 0 29 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 112.0 45.6 -64.5 -47.2 -2.0 41.1 -1.2 90 126 A L H X S+ 0 0 100 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.933 112.5 50.4 -62.2 -48.1 -5.1 39.0 -0.7 91 127 A A H X>S+ 0 0 2 -4,-2.2 4,-3.2 1,-0.2 5,-1.1 0.878 108.2 54.0 -58.3 -39.2 -3.4 36.6 1.8 92 128 A R H X5S+ 0 0 34 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.898 110.0 47.4 -62.4 -38.4 -2.3 39.7 3.7 93 129 A R H <5S+ 0 0 178 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.841 119.0 40.2 -69.7 -33.5 -5.9 40.9 3.8 94 130 A I H <5S+ 0 0 112 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.895 140.9 0.1 -79.1 -43.8 -7.2 37.4 4.9 95 131 A R H <5S+ 0 0 94 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.501 113.8 80.1-126.2 -20.7 -4.5 36.4 7.4 96 132 A G S < - 0 0 38 -2,-0.7 4,-1.8 1,-0.1 3,-0.4 -0.184 16.7-116.2 -74.3 153.6 19.9 38.1 -5.7 111 31 B K H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 113.9 53.8 -49.9 -46.5 17.1 36.1 -7.2 112 32 B P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.859 105.4 52.6 -66.2 -32.3 18.2 32.9 -5.4 113 33 B A H > S+ 0 0 8 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.911 112.7 45.9 -60.7 -42.5 18.1 34.5 -2.0 114 34 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.896 110.6 52.6 -69.8 -40.5 14.6 35.7 -2.8 115 35 B R H X S+ 0 0 123 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.891 111.7 47.4 -57.9 -39.8 13.6 32.2 -4.0 116 36 B R H X S+ 0 0 141 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.835 108.7 52.7 -73.0 -34.6 14.9 30.7 -0.8 117 37 B L H X S+ 0 0 1 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.929 112.2 46.5 -64.4 -44.2 13.1 33.2 1.4 118 38 B A H ><>S+ 0 0 1 -4,-2.3 5,-2.7 1,-0.2 3,-1.0 0.932 112.3 50.6 -60.0 -45.7 9.9 32.3 -0.4 119 39 B R H ><5S+ 0 0 93 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.860 101.9 60.3 -62.2 -36.8 10.7 28.6 -0.0 120 40 B R H 3<5S+ 0 0 27 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.767 106.4 48.9 -62.5 -24.1 11.3 29.0 3.7 121 41 B G T <<5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.8 -49,-0.2 0.323 128.3-101.5 -96.4 4.8 7.7 30.2 3.9 122 42 B G T < 5S+ 0 0 0 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.461 80.9 132.8 91.1 2.6 6.6 27.2 1.9 123 43 B V < + 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.790 26.3 175.5 -94.8 116.1 6.2 29.0 -1.4 124 44 B K + 0 0 78 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.657 63.8 42.9 -95.5 -18.5 7.8 27.0 -4.2 125 45 B R + 0 0 120 -44,-0.3 -42,-3.4 -7,-0.1 2,-0.3 -0.974 62.7 179.6-136.6 119.9 7.0 29.1 -7.3 126 46 B I B -c 83 0B 26 -2,-0.4 -42,-0.2 -44,-0.2 -44,-0.1 -0.923 23.8-122.0-122.5 147.1 7.1 32.9 -7.6 127 47 B S >> - 0 0 9 -44,-2.8 3,-1.1 -2,-0.3 4,-0.6 -0.244 35.3 -98.5 -78.7 170.9 6.3 35.2 -10.5 128 48 B G H >> S+ 0 0 62 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.871 121.3 54.6 -55.4 -41.1 8.6 37.7 -12.1 129 49 B L H 3> S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.692 92.1 74.1 -70.8 -17.3 7.2 40.7 -10.2 130 50 B I H <> S+ 0 0 1 -3,-1.1 4,-2.8 -47,-0.2 -1,-0.2 0.854 90.8 57.3 -65.8 -34.9 7.8 38.9 -6.8 131 51 B Y H S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.2 0.924 111.7 45.4 -56.6 -47.2 18.3 58.0 18.6 154 74 B E H ><5S+ 0 0 95 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.874 109.4 55.9 -67.0 -37.3 17.6 61.7 18.2 155 75 B H H 3<5S+ 0 0 75 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.1 48.1 -59.6 -38.0 15.5 61.7 21.4 156 76 B A T 3<5S- 0 0 44 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.476 115.6-121.1 -79.9 -1.0 18.5 60.4 23.3 157 77 B K T < 5 + 0 0 192 -3,-1.2 2,-0.2 1,-0.2 -3,-0.2 0.830 68.0 135.6 59.3 37.6 20.6 63.1 21.6 158 78 B R < - 0 0 89 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.654 53.9-153.2-105.8 165.8 22.9 60.4 20.0 159 79 B K S S+ 0 0 35 -2,-0.2 -112,-2.2 -3,-0.1 2,-0.5 0.372 78.6 79.2-114.0 -3.3 24.3 60.1 16.4 160 80 B T E S-a 47 0A 10 -114,-0.2 2,-0.6 -7,-0.1 -112,-0.2 -0.932 74.7-139.3-109.2 124.6 24.6 56.3 16.7 161 81 B V E -a 48 0A 0 -114,-3.4 -112,-2.6 -2,-0.5 -109,-0.2 -0.695 29.1-155.6 -77.9 119.1 21.5 54.0 16.2 162 82 B T > - 0 0 19 -2,-0.6 4,-2.1 -114,-0.2 5,-0.2 -0.522 29.7-109.9 -96.8 165.0 21.9 51.3 18.9 163 83 B A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.863 122.1 56.6 -56.9 -36.3 20.5 47.8 18.9 164 84 B M H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 103.6 51.4 -63.6 -42.0 18.2 49.1 21.7 165 85 B D H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.9 49.9 -57.4 -43.6 16.8 51.8 19.5 166 86 B V H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.897 108.6 52.3 -64.4 -39.8 16.1 49.1 16.9 167 87 B V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.962 109.4 47.4 -60.1 -51.3 14.3 47.0 19.5 168 88 B Y H < S+ 0 0 19 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.886 115.8 48.0 -59.4 -35.7 12.0 49.8 20.6 169 89 B A H >< S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 -2,-0.2 0.940 109.1 51.4 -65.9 -49.6 11.4 50.4 16.9 170 90 B L H >< S+ 0 0 1 -4,-3.2 3,-1.9 1,-0.3 7,-0.4 0.858 101.9 60.8 -58.2 -37.4 10.7 46.8 16.0 171 91 B K T 3< S+ 0 0 52 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.728 101.9 55.1 -63.6 -20.1 8.2 46.5 18.8 172 92 B R T < S+ 0 0 74 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.407 90.9 75.8 -90.2 1.0 6.2 49.2 17.1 173 93 B Q S < S- 0 0 8 -3,-1.9 2,-0.4 1,-0.3 3,-0.3 0.256 99.0-115.2-101.3 12.8 6.0 47.3 13.7 174 94 B G S S- 0 0 24 -3,-0.5 3,-0.5 1,-0.2 -1,-0.3 -0.735 71.3 -2.8 101.0-137.8 3.4 44.7 14.6 175 95 B R S > S+ 0 0 65 -2,-0.4 3,-1.4 1,-0.2 -1,-0.2 0.674 103.3 85.6 -75.2 -21.6 3.6 41.0 14.9 176 96 B T T 3 S+ 0 0 12 -3,-0.3 -1,-0.2 1,-0.3 159,-0.1 0.884 111.1 14.1 -54.7 -50.2 7.2 40.3 13.8 177 97 B L T > S+ 0 0 0 -3,-0.5 3,-2.0 -7,-0.4 -1,-0.3 0.055 90.8 153.5-110.3 23.0 8.8 40.8 17.2 178 98 B Y T < + 0 0 169 -3,-1.4 157,-0.1 1,-0.2 -3,-0.1 -0.269 67.5 14.2 -57.5 133.1 5.5 40.7 19.2 179 99 B G T > S+ 0 0 30 1,-0.3 3,-1.7 -8,-0.1 -1,-0.2 0.326 84.6 147.2 88.4 -9.0 6.1 39.5 22.8 180 100 B F T < S+ 0 0 15 -3,-2.0 -1,-0.3 1,-0.2 156,-0.1 -0.388 71.1 14.7 -61.3 136.0 9.9 39.9 22.9 181 101 B G T 3 0 0 40 154,-0.4 -1,-0.2 166,-0.1 155,-0.0 0.397 360.0 360.0 82.5 -2.6 11.2 40.9 26.3 182 102 B G < 0 0 84 -3,-1.7 -3,-0.1 165,-0.1 165,-0.1 -0.773 360.0 360.0 92.4 360.0 7.9 40.0 27.9 183 !* 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 0 155 0, 0.0 61,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 136.6 35.0 10.2 26.2 185 183 C G - 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