==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 25-MAY-11 3AZL . COMPND 2 MOLECULE: HISTONE H3.1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.IWASAKI,H.TACHIWANA,K.KAWAGUCHI,T.SHIBATA,W.KAGAWA,H.KURUM . 760 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 23 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 2 2 0 0 1 9 4 3 1 0 0 0 0 0 2 0 0 0 0 0 0 3 1 4 0 0 RESIDUES PER ALPHA HELIX . 0 8 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 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 . 10 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 38 A P 0 0 192 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.8 -59.6 -28.7 80.7 2 39 A H - 0 0 134 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.841 360.0-167.7-123.2 157.5 -56.3 -30.1 79.3 3 40 A R - 0 0 229 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.957 25.2-118.8-138.2 153.4 -53.1 -28.8 77.7 4 41 A Y - 0 0 126 -2,-0.3 3,-0.1 1,-0.1 5,-0.1 -0.717 43.7-105.4 -89.7 143.5 -50.2 -30.3 75.8 5 42 A R >> - 0 0 202 -2,-0.3 3,-2.2 1,-0.1 4,-0.6 -0.311 50.0 -74.9 -68.5 153.9 -46.8 -29.8 77.6 6 43 A P T 34 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.196 120.2 17.8 -47.7 130.3 -44.3 -27.2 76.2 7 44 A G T 3> S+ 0 0 24 -3,-0.1 4,-2.6 111,-0.1 5,-0.2 0.055 97.2 95.6 95.9 -27.2 -42.7 -28.6 73.0 8 45 A T H <> S+ 0 0 54 -3,-2.2 4,-1.5 1,-0.2 5,-0.1 0.915 92.2 40.5 -63.6 -44.0 -45.2 -31.4 72.3 9 46 A V H X S+ 0 0 54 -4,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.765 110.6 60.3 -75.4 -26.1 -47.1 -29.2 69.8 10 47 A A H >> S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.984 106.2 45.4 -64.1 -54.3 -43.8 -27.8 68.5 11 48 A L H 3X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.871 109.2 57.8 -53.7 -38.4 -42.7 -31.3 67.5 12 49 A R H 3X S+ 0 0 111 -4,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.881 107.6 46.1 -62.4 -37.7 -46.1 -31.8 66.0 13 50 A E H X S+ 0 0 141 -4,-2.0 4,-1.4 1,-0.2 3,-0.7 0.971 116.7 40.9 -64.3 -53.9 -46.5 -31.4 59.7 17 54 A Y H 3< S+ 0 0 22 -4,-3.2 645,-0.2 1,-0.2 -1,-0.2 0.745 109.8 56.5 -69.3 -25.0 -44.4 -28.8 57.9 18 55 A Q H 3< S+ 0 0 6 -4,-2.2 644,-0.4 -5,-0.4 -1,-0.2 0.714 110.4 49.7 -77.6 -15.5 -41.5 -31.1 57.0 19 56 A K H << S+ 0 0 142 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.800 106.5 62.4 -89.7 -31.3 -44.2 -33.2 55.3 20 57 A S < - 0 0 27 -4,-1.4 642,-0.4 -5,-0.1 640,-0.0 -0.241 57.7-159.3 -89.2 178.6 -45.8 -30.4 53.3 21 58 A T + 0 0 32 640,-0.1 640,-0.3 2,-0.1 638,-0.2 0.361 45.6 126.7-137.7 -2.0 -44.5 -28.1 50.6 22 59 A E S S- 0 0 82 1,-0.1 2,-0.1 638,-0.1 -2,-0.1 -0.250 72.9 -94.8 -60.4 149.7 -46.9 -25.1 50.6 23 60 A L - 0 0 36 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.437 32.2-154.3 -63.8 140.6 -45.2 -21.7 50.9 24 61 A L + 0 0 3 -2,-0.1 2,-0.4 -3,-0.1 86,-0.2 0.527 69.9 77.9 -98.9 -9.4 -45.2 -20.6 54.6 25 62 A I S S- 0 0 6 31,-0.1 78,-0.1 85,-0.1 -2,-0.1 -0.847 93.9-104.2 -99.8 135.6 -45.2 -16.8 54.2 26 63 A R > - 0 0 123 -2,-0.4 4,-1.6 76,-0.2 5,-0.1 -0.375 28.8-133.4 -61.2 136.6 -48.5 -15.2 53.3 27 64 A K H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 95.6 47.9 -58.1 -54.2 -48.5 -14.2 49.6 28 65 A L H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.962 111.3 49.4 -58.5 -55.3 -49.8 -10.6 49.6 29 66 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.914 114.2 48.9 -48.5 -46.4 -47.5 -9.4 52.4 30 67 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.906 108.1 50.4 -60.7 -48.2 -44.6 -10.9 50.5 31 68 A Q H X S+ 0 0 54 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 110.9 52.7 -58.8 -36.3 -45.6 -9.4 47.1 32 69 A R H X S+ 0 0 109 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.906 108.9 47.5 -66.2 -44.1 -45.8 -6.1 48.9 33 70 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.876 110.9 53.6 -65.0 -38.6 -42.3 -6.4 50.4 34 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 109.8 44.6 -62.4 -50.0 -40.9 -7.4 47.1 35 72 A R H X S+ 0 0 94 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.818 109.4 57.6 -66.4 -34.1 -42.2 -4.4 45.2 36 73 A E H < S+ 0 0 66 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.921 111.1 41.7 -62.9 -45.3 -41.1 -2.0 47.9 37 74 A I H >< S+ 0 0 4 -4,-1.8 3,-1.8 1,-0.2 4,-0.4 0.943 114.7 50.2 -68.2 -47.8 -37.5 -3.2 47.7 38 75 A A H >X S+ 0 0 1 -4,-2.4 3,-3.0 1,-0.3 4,-1.8 0.914 98.5 68.0 -57.1 -42.3 -37.5 -3.2 43.9 39 76 A Q T 3< S+ 0 0 80 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.736 94.2 59.9 -50.2 -23.5 -38.9 0.3 43.8 40 77 A D T <4 S+ 0 0 120 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.646 107.9 41.6 -82.4 -14.6 -35.6 1.4 45.2 41 78 A F T <4 S- 0 0 62 -3,-3.0 2,-0.3 1,-0.4 -2,-0.2 0.716 134.8 -0.0-101.0 -26.5 -33.6 0.1 42.3 42 79 A K S < S- 0 0 58 -4,-1.8 -1,-0.4 111,-0.0 3,-0.3 -0.918 76.4-127.3-162.2 133.1 -35.9 1.2 39.5 43 80 A T S S+ 0 0 90 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.0 -0.504 81.0 20.1 -89.0 157.5 -39.2 3.0 39.8 44 81 A D S S+ 0 0 104 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.906 80.7 167.8 55.0 53.6 -42.6 2.0 38.2 45 82 A L - 0 0 19 -3,-0.3 2,-0.3 -10,-0.1 109,-0.2 -0.638 25.6-149.3 -97.0 153.9 -41.8 -1.7 37.7 46 83 A R E -a 154 0A 163 107,-2.9 109,-3.2 -2,-0.2 2,-0.4 -0.906 11.2-149.6-118.5 148.8 -44.2 -4.5 36.8 47 84 A F E -a 155 0A 23 -2,-0.3 109,-0.2 107,-0.3 2,-0.1 -0.973 15.6-126.4-123.7 129.3 -43.7 -8.1 37.9 48 85 A Q >> - 0 0 85 107,-2.4 4,-1.3 -2,-0.4 3,-0.7 -0.464 30.5-124.2 -63.6 145.5 -44.7 -11.3 36.2 49 86 A S H 3> S+ 0 0 92 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.916 113.6 54.8 -60.0 -39.4 -46.7 -13.2 38.8 50 87 A S H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.760 99.8 60.0 -66.0 -24.4 -44.3 -16.1 38.3 51 88 A A H <> S+ 0 0 0 -3,-0.7 4,-1.9 104,-0.2 -1,-0.2 0.870 105.9 48.2 -69.6 -35.1 -41.3 -13.8 39.0 52 89 A V H X S+ 0 0 1 -4,-1.3 4,-2.3 -3,-0.5 -2,-0.2 0.846 112.0 49.2 -72.1 -34.7 -42.8 -13.2 42.5 53 90 A M H X S+ 0 0 39 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.922 108.0 52.5 -69.7 -46.6 -43.4 -16.9 43.0 54 91 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.943 111.7 48.8 -54.1 -46.4 -39.8 -17.8 42.0 55 92 A L H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.938 111.5 47.5 -60.2 -47.6 -38.6 -15.2 44.5 56 93 A Q H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.884 111.7 51.0 -63.6 -37.5 -40.8 -16.5 47.3 57 94 A E H X S+ 0 0 22 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.970 113.8 43.6 -62.2 -51.9 -39.7 -20.1 46.6 58 95 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 114.5 50.6 -57.6 -47.8 -36.0 -19.2 46.7 59 96 A C H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.866 113.1 44.6 -60.0 -40.7 -36.4 -17.0 49.8 60 97 A E H X S+ 0 0 7 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.831 112.4 51.1 -76.9 -30.3 -38.3 -19.7 51.7 61 98 A A H X S+ 0 0 37 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.831 112.0 49.6 -72.4 -31.2 -35.8 -22.5 50.7 62 99 A Y H X S+ 0 0 10 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.935 112.4 44.6 -72.7 -48.1 -33.0 -20.2 51.9 63 100 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.934 113.2 50.5 -64.6 -44.0 -34.6 -19.4 55.2 64 101 A V H X S+ 0 0 6 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.902 113.6 47.4 -58.7 -40.7 -35.5 -23.1 55.9 65 102 A G H X S+ 0 0 15 -4,-1.5 4,-1.7 1,-0.2 3,-0.4 0.927 111.1 50.2 -65.0 -44.6 -32.0 -24.0 55.0 66 103 A L H X S+ 0 0 6 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.864 106.7 55.3 -63.2 -37.6 -30.6 -21.2 57.3 67 104 A F H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.822 103.8 56.0 -67.2 -28.1 -32.8 -22.4 60.1 68 105 A E H X S+ 0 0 80 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.972 110.1 43.1 -66.0 -52.0 -31.3 -25.9 59.8 69 106 A D H X S+ 0 0 22 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.819 114.9 51.8 -61.7 -31.4 -27.7 -24.7 60.2 70 107 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.884 106.9 51.8 -72.2 -39.6 -28.9 -22.4 63.0 71 108 A N H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.936 110.0 50.9 -62.4 -43.5 -30.5 -25.3 64.8 72 109 A L H X S+ 0 0 22 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.850 109.2 50.0 -60.3 -38.6 -27.3 -27.2 64.5 73 110 A C H X S+ 0 0 0 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.880 111.5 48.5 -69.2 -37.0 -25.3 -24.3 66.0 74 111 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 3,-0.2 0.907 111.7 48.3 -69.0 -42.1 -27.7 -24.0 68.9 75 112 A I H ><5S+ 0 0 33 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.869 105.5 60.9 -66.4 -32.5 -27.5 -27.7 69.6 76 113 A H H 3<5S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 102.6 50.5 -60.2 -38.2 -23.8 -27.4 69.4 77 114 A A T 3<5S- 0 0 15 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.134 125.1-104.7 -86.6 20.3 -23.9 -25.0 72.3 78 115 A K T < 5S+ 0 0 172 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.781 83.9 121.3 64.5 26.8 -26.0 -27.5 74.3 79 116 A R < - 0 0 50 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.584 54.0-158.7-110.8 178.8 -29.2 -25.6 73.8 80 117 A V S S+ 0 0 45 -2,-0.2 39,-1.2 -3,-0.1 2,-0.5 0.268 75.9 82.2-135.1 -1.2 -32.5 -26.5 72.2 81 118 A T E S-b 119 0B 19 -7,-0.2 39,-0.2 37,-0.1 -1,-0.1 -0.940 75.0-137.1-111.9 118.5 -33.5 -22.8 71.6 82 119 A I E -b 120 0B 0 37,-1.9 39,-1.6 -2,-0.5 42,-0.2 -0.420 26.5-175.9 -72.8 151.6 -32.1 -21.0 68.5 83 120 A M >> - 0 0 53 -13,-0.2 3,-1.8 37,-0.1 4,-1.6 -0.941 44.3 -96.2-143.0 163.6 -30.9 -17.4 69.0 84 121 A P H 3> S+ 0 0 18 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.882 123.3 62.1 -47.5 -37.8 -29.6 -14.5 66.9 85 122 A K H 3> S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.844 102.8 49.4 -57.7 -36.1 -26.1 -15.7 67.9 86 123 A D H <> S+ 0 0 0 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.901 110.8 47.3 -73.8 -41.3 -26.8 -19.0 66.1 87 124 A I H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.914 112.2 53.6 -64.8 -40.3 -28.0 -17.4 62.9 88 125 A Q H X S+ 0 0 78 -4,-3.0 4,-1.6 -5,-0.3 -2,-0.2 0.909 109.7 45.1 -59.3 -45.9 -24.9 -15.1 63.1 89 126 A L H X S+ 0 0 15 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.922 112.8 50.6 -65.8 -45.4 -22.5 -18.0 63.4 90 127 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.935 112.4 46.2 -59.1 -47.8 -24.1 -20.0 60.6 91 128 A R H <>S+ 0 0 37 -4,-2.5 5,-2.4 2,-0.2 6,-0.8 0.823 112.3 53.1 -66.6 -27.4 -24.1 -17.0 58.3 92 129 A R H ><5S+ 0 0 83 -4,-1.6 3,-1.5 -5,-0.2 5,-0.3 0.974 111.2 43.5 -70.9 -52.8 -20.5 -16.4 59.3 93 130 A I H 3<5S+ 0 0 7 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.848 109.6 58.0 -61.6 -33.1 -19.3 -20.0 58.5 94 131 A R T 3<5S- 0 0 63 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.677 113.7-121.8 -70.3 -14.8 -21.3 -19.9 55.2 95 132 A G T < 5S+ 0 0 50 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.792 78.1 126.6 79.9 25.6 -19.3 -16.9 54.2 96 133 A E < 0 0 71 -5,-2.4 -4,-0.2 -6,-0.2 -5,-0.1 0.506 360.0 360.0 -89.0 -6.6 -22.3 -14.7 53.8 97 134 A R 0 0 149 -6,-0.8 -5,-0.2 -5,-0.3 -4,-0.1 0.520 360.0 360.0-140.8 360.0 -20.5 -12.4 56.2 98 !* 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 99 25 B N > 0 0 90 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -29.1 -43.8 -4.0 55.0 100 26 B I G > + 0 0 32 1,-0.3 3,-1.6 2,-0.2 -67,-0.1 0.840 360.0 62.4 -58.8 -30.1 -41.0 -6.2 56.4 101 27 B Q G 3 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.629 83.3 76.7 -70.6 -13.0 -43.3 -6.6 59.4 102 28 B G G < S+ 0 0 15 -3,-2.3 2,-1.3 -73,-0.2 -1,-0.3 0.810 76.2 82.5 -64.7 -28.5 -45.8 -8.2 57.0 103 29 B I S < S- 0 0 0 -3,-1.6 -1,-0.1 -4,-0.5 2,-0.1 -0.694 88.8-150.5 -77.2 101.8 -43.4 -11.1 57.4 104 30 B T > - 0 0 29 -2,-1.3 4,-2.3 1,-0.1 3,-0.3 -0.334 24.2-112.7 -86.6 159.9 -45.0 -12.3 60.6 105 31 B K H >> S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.950 116.6 47.2 -47.6 -62.8 -43.9 -14.1 63.8 106 32 B P H 3> S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.825 111.0 52.1 -53.4 -33.3 -46.1 -17.2 63.1 107 33 B A H 3> S+ 0 0 1 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.865 110.6 47.8 -72.1 -33.3 -44.9 -17.3 59.4 108 34 B I H S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 -1,-0.2 0.912 109.7 51.8 -56.8 -43.9 -38.3 -22.5 61.4 113 39 B R H ><5S+ 0 0 6 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.885 106.1 50.8 -62.0 -44.8 -40.5 -25.6 61.9 114 40 B R H 3<5S+ 0 0 13 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.811 108.2 56.6 -64.1 -25.9 -39.9 -26.9 58.4 115 41 B G T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.367 124.4-109.5 -84.4 4.0 -36.3 -26.3 59.3 116 42 B G T < 5 + 0 0 4 -3,-2.1 2,-0.5 1,-0.2 551,-0.3 0.689 63.4 154.3 77.8 21.7 -36.7 -28.6 62.3 117 43 B V < - 0 0 0 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115.2 -95.7 8.1 -37.3 -30.9 26.6 681 38 H S H 3> S+ 0 0 37 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.870 71.1 47.8 -44.5 -60.2 -40.8 -32.0 27.6 682 39 H I H 3> S+ 0 0 100 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.864 115.8 47.7 -56.0 -34.5 -41.7 -34.5 25.0 683 40 H Y H <> S+ 0 0 33 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.918 111.0 48.1 -72.4 -44.0 -38.3 -36.1 25.5 684 41 H V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.955 114.3 49.6 -58.7 -47.9 -38.5 -36.2 29.3 685 42 H Y H X S+ 0 0 106 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.904 108.7 50.8 -58.4 -45.9 -42.0 -37.7 28.8 686 43 H K H X S+ 0 0 92 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.959 112.8 46.5 -57.0 -49.1 -40.8 -40.3 26.3 687 44 H V H X S+ 0 0 2 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.822 107.7 59.1 -62.2 -30.9 -38.1 -41.4 28.8 688 45 H L H >X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 3,-0.7 0.938 103.1 50.9 -63.6 -46.7 -40.6 -41.4 31.6 689 46 H K H 3< S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.798 105.5 56.4 -62.9 -30.0 -42.8 -44.0 29.8 690 47 H Q H 3< S+ 0 0 115 -4,-1.3 -1,-0.2 2,-0.2 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