==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-04 1VKG . COMPND 2 MOLECULE: HISTONE DEACETYLASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.SOMOZA,R.J.SKENE,B.A.KATZ,C.MOL,J.D.HO,A.J.JENNINGS, . 696 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 1.9 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 . 5 0.7 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 . 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 . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 1 1 3 1 0 1 1 2 1 3 1 1 2 1 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 2 6 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 PARALLEL BRIDGES PER LADDER . 5 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 . 1 0 0 0 0 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 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 15 A V 0 0 127 0, 0.0 104,-0.2 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 163.4 49.9 65.9 72.1 2 16 A P - 0 0 11 0, 0.0 39,-2.5 0, 0.0 2,-0.4 -0.047 360.0-127.7 -54.8 164.0 46.1 66.6 71.6 3 17 A V E -ab 41 106A 0 102,-1.0 104,-2.0 37,-0.2 2,-0.5 -0.919 13.7-156.5-117.0 141.4 44.7 70.1 71.0 4 18 A Y E -ab 42 107A 11 37,-2.8 39,-2.8 -2,-0.4 2,-1.2 -0.981 10.5-146.1-121.7 111.6 41.9 71.3 73.1 5 19 A I E +a 43 0A 6 102,-2.3 2,-0.3 -2,-0.5 39,-0.2 -0.709 47.6 140.8 -82.4 100.4 39.9 74.1 71.4 6 20 A Y + 0 0 48 37,-2.5 -2,-0.1 -2,-1.2 3,-0.1 -1.000 22.3 155.7-147.7 147.8 39.0 76.1 74.5 7 21 A S >> - 0 0 6 -2,-0.3 4,-2.1 37,-0.1 3,-1.3 -0.889 47.3-118.4-163.5 135.2 38.7 79.7 75.6 8 22 A P H 3> S+ 0 0 67 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.913 116.6 55.2 -43.2 -51.8 36.5 81.0 78.5 9 23 A E H 3> S+ 0 0 123 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.806 107.2 50.3 -55.3 -33.1 34.5 83.1 76.1 10 24 A Y H <> S+ 0 0 9 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.958 111.6 46.4 -74.4 -49.3 33.8 80.0 74.0 11 25 A V H >< S+ 0 0 15 -4,-2.1 3,-0.7 1,-0.3 14,-0.2 0.981 114.0 47.0 -54.8 -58.8 32.6 77.9 76.9 12 26 A S H >< S+ 0 0 74 -4,-2.8 3,-0.9 1,-0.3 -1,-0.3 0.845 110.4 55.9 -51.3 -32.7 30.4 80.7 78.1 13 27 A M H >< S+ 0 0 62 -4,-1.1 3,-0.9 -5,-0.3 2,-0.5 0.911 102.3 55.4 -68.6 -39.1 29.3 81.0 74.5 14 28 A C T << S+ 0 0 9 -4,-2.3 10,-1.0 -3,-0.7 9,-0.3 -0.096 102.5 57.9 -87.3 39.0 28.2 77.3 74.5 15 29 A D T < S+ 0 0 18 -3,-0.9 -1,-0.3 -2,-0.5 -2,-0.1 -0.103 94.4 78.7-151.4 31.8 25.9 77.9 77.5 16 30 A S <> + 0 0 49 -3,-0.9 4,-0.7 3,-0.1 -2,-0.1 0.765 42.3 98.9-109.6 -86.8 23.7 80.6 76.0 17 31 A L T >4 S- 0 0 11 -4,-0.3 3,-1.9 2,-0.2 62,-0.1 0.344 87.7 -90.8 -13.6 121.2 20.8 80.5 73.6 18 32 A A T 34 S+ 0 0 38 60,-0.4 351,-0.3 1,-0.3 -1,-0.2 0.447 127.3 35.0 -9.2 -39.1 17.3 80.7 75.2 19 33 A K T 34 S+ 0 0 65 349,-0.2 -1,-0.3 -2,-0.1 -2,-0.2 -0.166 92.9 111.0-119.5 36.7 17.1 76.8 75.5 20 34 A I << - 0 0 39 -3,-1.9 2,-0.1 -4,-0.7 -5,-0.1 -0.861 50.8-153.4-109.2 144.9 20.8 76.0 76.2 21 35 A P - 0 0 66 0, 0.0 2,-0.6 0, 0.0 3,-0.3 -0.339 38.3 -92.1 -96.1-169.8 22.0 74.6 79.6 22 36 A K S > S+ 0 0 85 1,-0.2 4,-1.5 -2,-0.1 -7,-0.1 -0.448 75.9 131.6-108.7 62.6 25.6 75.0 80.9 23 37 A R H > + 0 0 32 -2,-0.6 4,-2.3 -9,-0.3 5,-0.2 0.793 65.7 60.8 -80.2 -35.2 27.0 71.8 79.5 24 38 A A H > S+ 0 0 10 -10,-1.0 4,-2.5 -3,-0.3 5,-0.2 0.959 108.8 45.3 -58.0 -48.4 30.0 73.4 78.0 25 39 A S H > S+ 0 0 20 -14,-0.2 4,-3.2 1,-0.2 5,-0.3 0.922 111.6 50.3 -59.9 -51.0 31.1 74.6 81.5 26 40 A M H X S+ 0 0 14 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.925 112.5 47.4 -57.2 -43.6 30.4 71.3 83.2 27 41 A V H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 3,-0.4 0.972 118.5 39.5 -62.1 -56.0 32.4 69.4 80.7 28 42 A H H X S+ 0 0 11 -4,-2.5 4,-3.5 -5,-0.2 5,-0.4 0.976 110.5 60.4 -57.1 -56.9 35.4 71.8 80.8 29 43 A S H X S+ 0 0 11 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.813 111.1 41.0 -39.8 -40.7 35.1 72.2 84.6 30 44 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.4 6,-0.3 0.942 112.8 50.2 -81.3 -46.3 35.7 68.4 85.0 31 45 A I H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 6,-0.8 0.915 118.5 42.9 -53.8 -38.7 38.4 68.0 82.4 32 46 A E H ><5S+ 0 0 95 -4,-3.5 3,-2.4 -5,-0.3 -2,-0.2 0.950 109.2 58.4 -68.2 -51.8 40.0 70.9 84.2 33 47 A A H 3<5S+ 0 0 34 -4,-2.5 -2,-0.2 -5,-0.4 -1,-0.2 0.731 110.1 41.8 -50.6 -32.1 39.1 69.3 87.6 34 48 A Y T 3<5S- 0 0 33 -4,-2.1 -1,-0.3 270,-0.1 -2,-0.2 0.279 115.3-122.7 -98.6 6.9 41.1 66.1 86.9 35 49 A A T X 5 + 0 0 38 -3,-2.4 3,-0.8 -5,-0.3 4,-0.3 0.686 67.3 140.0 58.7 25.6 43.8 68.5 85.4 36 50 A L G > < + 0 0 3 -5,-2.2 3,-2.3 -6,-0.3 -4,-0.2 0.865 62.3 66.0 -65.0 -34.7 43.7 66.8 82.0 37 51 A H G > S+ 0 0 38 -6,-0.8 3,-2.6 1,-0.3 -1,-0.2 0.862 88.3 69.4 -54.3 -34.1 43.9 70.1 80.2 38 52 A K G < S+ 0 0 150 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.759 98.4 51.0 -55.9 -24.2 47.4 70.4 81.7 39 53 A Q G < S+ 0 0 63 -3,-2.3 -1,-0.3 -4,-0.3 2,-0.3 0.201 104.9 71.8-101.1 16.6 48.4 67.6 79.3 40 54 A M S < S- 0 0 16 -3,-2.6 2,-0.6 -39,-0.1 -37,-0.2 -0.829 80.9-116.5-128.5 166.8 47.0 69.2 76.2 41 55 A R E -a 3 0A 142 -39,-2.5 -37,-2.8 -2,-0.3 2,-0.4 -0.902 35.7-148.6-100.0 122.4 47.8 72.1 73.9 42 56 A I E -a 4 0A 77 -2,-0.6 2,-0.4 -39,-0.2 -37,-0.2 -0.805 15.5-173.1 -97.0 137.3 44.9 74.5 74.3 43 57 A V E -a 5 0A 29 -39,-2.8 -37,-2.5 -2,-0.4 51,-0.0 -0.949 22.6-128.2-126.9 147.4 44.1 76.6 71.2 44 58 A K - 0 0 118 -2,-0.4 -37,-0.1 -39,-0.2 -39,-0.1 -0.866 30.5-122.9-100.2 125.0 41.6 79.3 71.2 45 59 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 45,-0.2 -0.103 14.7-135.4 -66.1 164.9 38.9 79.0 68.5 46 60 A K - 0 0 88 43,-0.3 2,-0.6 40,-0.1 47,-0.2 -0.566 25.2-109.7-109.3 174.8 38.2 81.6 65.8 47 61 A V - 0 0 97 -2,-0.2 39,-0.2 42,-0.2 38,-0.1 -0.943 40.6-119.1-108.3 129.3 34.6 82.5 64.8 48 62 A A - 0 0 8 37,-2.8 2,-0.3 -2,-0.6 41,-0.1 -0.220 28.1-122.6 -62.9 164.3 34.1 81.1 61.3 49 63 A S >> - 0 0 36 1,-0.1 4,-2.7 40,-0.1 3,-1.3 -0.741 21.0-109.8-108.2 159.4 33.3 83.7 58.7 50 64 A M H 3> S+ 0 0 59 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.954 122.9 56.9 -51.2 -49.1 30.2 83.8 56.6 51 65 A E H 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 8,-0.0 0.786 110.9 43.5 -52.8 -28.8 32.6 82.9 53.7 52 66 A E H X4 S+ 0 0 16 -3,-1.3 3,-1.5 2,-0.2 4,-0.4 0.845 113.2 46.7 -87.2 -40.4 33.7 79.8 55.6 53 67 A M H >X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.3 3,-1.6 0.914 108.4 61.9 -65.0 -37.5 30.3 78.6 56.8 54 68 A A T 3< S+ 0 0 25 -4,-3.0 -1,-0.3 -5,-0.4 -2,-0.2 0.434 79.2 83.3 -65.0 -4.1 29.4 79.3 53.2 55 69 A T T <4 S+ 0 0 90 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.827 117.6 10.7 -71.6 -27.6 31.9 76.6 52.1 56 70 A F T <4 S+ 0 0 27 -3,-1.6 -2,-0.2 -4,-0.4 2,-0.2 0.701 124.2 69.2-117.7 -37.8 29.1 74.2 52.8 57 71 A H S < S- 0 0 4 -4,-2.9 2,-0.3 -5,-0.1 62,-0.2 -0.550 84.5-106.0 -93.1 155.1 26.0 76.4 53.4 58 72 A T >> - 0 0 36 60,-2.5 4,-1.9 -2,-0.2 3,-1.2 -0.553 23.3-129.1 -76.5 128.4 24.1 78.5 50.9 59 73 A D H 3> S+ 0 0 103 -2,-0.3 4,-3.0 1,-0.3 5,-0.3 0.881 111.7 58.3 -37.6 -50.9 24.7 82.2 51.2 60 74 A A H 3> S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.887 106.1 46.3 -47.4 -50.7 21.0 82.5 51.3 61 75 A Y H <> S+ 0 0 24 -3,-1.2 4,-3.3 2,-0.2 5,-0.3 0.964 113.5 46.8 -62.1 -55.4 20.7 80.3 54.3 62 76 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.900 112.1 51.7 -55.5 -42.2 23.4 82.0 56.3 63 77 A Q H X S+ 0 0 113 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.913 115.7 40.9 -60.9 -45.0 22.0 85.4 55.4 64 78 A H H X S+ 0 0 99 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.969 113.3 52.9 -66.5 -55.0 18.6 84.4 56.6 65 79 A L H X S+ 0 0 10 -4,-3.3 4,-2.9 1,-0.2 16,-0.2 0.915 113.7 44.7 -42.8 -56.4 19.9 82.5 59.7 66 80 A Q H X S+ 0 0 81 -4,-2.7 4,-0.8 -5,-0.3 -1,-0.2 0.947 108.6 56.4 -54.0 -57.4 21.8 85.7 60.7 67 81 A K H >X S+ 0 0 107 -4,-2.4 4,-1.0 1,-0.2 3,-1.0 0.928 114.9 38.1 -41.4 -59.3 18.9 88.0 60.0 68 82 A V H 3X S+ 0 0 21 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.947 98.4 80.1 -61.3 -49.8 16.7 86.1 62.4 69 83 A S H 3< S+ 0 0 4 -4,-2.9 10,-2.1 -5,-0.3 -1,-0.2 0.619 100.6 40.5 -31.7 -26.9 19.6 85.5 64.9 70 84 A Q H << S+ 0 0 126 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.893 115.4 48.6 -92.5 -50.3 19.1 89.0 66.3 71 85 A E H < S- 0 0 103 -4,-1.0 2,-0.4 -3,-0.3 -2,-0.2 0.939 92.5-153.1 -54.2 -58.1 15.3 89.1 66.2 72 86 A G < - 0 0 0 -4,-2.0 2,-1.1 5,-0.5 -1,-0.2 -0.928 56.2 -12.7 116.3-141.1 14.6 85.8 67.9 73 87 A D 0 0 81 -2,-0.4 4,-0.1 1,-0.1 5,-0.1 -0.687 360.0 360.0-102.5 81.8 11.4 83.8 67.3 74 88 A D 0 0 174 -2,-1.1 -1,-0.1 3,-0.1 3,-0.0 -0.432 360.0 360.0-121.4 360.0 9.2 86.3 65.5 75 ! 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 76 104 A A 0 0 42 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 122.5 14.8 80.2 66.3 77 105 A T - 0 0 10 -5,-0.2 -5,-0.5 -4,-0.1 2,-0.4 -0.512 360.0 -72.4-132.4-160.7 15.9 82.5 69.2 78 106 A E S S+ 0 0 96 -2,-0.2 -60,-0.4 -7,-0.2 -8,-0.2 -0.797 110.9 36.3-102.7 148.3 18.6 85.1 69.2 79 107 A G S >> S+ 0 0 15 -10,-2.1 4,-2.8 -2,-0.4 3,-1.1 -0.319 73.8 115.5 110.4 -47.3 22.2 84.1 69.2 80 108 A I H 3> S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.669 83.1 44.1 -23.2 -45.8 22.0 81.0 66.9 81 109 A F H 3> S+ 0 0 15 -16,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.942 117.0 43.5 -73.9 -47.8 24.2 82.6 64.3 82 110 A D H <> S+ 0 0 99 -3,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.948 119.3 47.2 -58.3 -46.3 26.7 84.0 66.7 83 111 A Y H X S+ 0 0 34 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.930 114.2 44.5 -55.1 -58.1 26.6 80.6 68.4 84 112 A A H X S+ 0 0 7 -4,-2.9 4,-2.9 -5,-0.3 5,-0.3 0.906 108.7 57.6 -57.1 -49.3 26.9 78.6 65.2 85 113 A A H X S+ 0 0 5 -4,-3.0 -37,-2.8 -5,-0.2 4,-2.1 0.873 109.3 47.8 -51.1 -41.4 29.7 80.9 64.0 86 114 A A H X S+ 0 0 12 -4,-1.5 4,-3.0 -39,-0.2 -2,-0.2 0.970 113.6 40.7 -67.2 -60.2 31.6 80.0 67.1 87 115 A I H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.924 116.4 53.3 -57.5 -43.9 31.3 76.2 67.2 88 116 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.961 110.1 47.6 -53.9 -52.7 31.8 76.2 63.4 89 117 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -43,-0.3 0.910 109.0 55.4 -54.7 -45.9 35.0 78.2 63.9 90 118 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.954 108.4 45.7 -53.0 -58.0 36.1 75.8 66.7 91 119 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.948 113.1 50.7 -53.3 -51.8 35.8 72.7 64.5 92 120 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.893 107.4 53.6 -56.8 -38.2 37.6 74.5 61.6 93 121 A T H X S+ 0 0 16 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.3 0.892 108.5 50.7 -63.9 -36.3 40.4 75.5 64.1 94 122 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 -3,-0.3 -2,-0.2 0.895 112.2 46.2 -64.4 -43.1 40.7 71.8 65.0 95 123 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.951 109.5 54.4 -64.6 -52.2 41.0 70.8 61.4 96 124 A Q H X S+ 0 0 56 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.898 107.9 49.8 -50.0 -45.8 43.5 73.6 60.7 97 125 A C H <>S+ 0 0 9 -4,-2.1 5,-2.4 2,-0.2 6,-0.7 0.916 112.5 47.0 -62.5 -42.3 45.8 72.3 63.5 98 126 A L H ><5S+ 0 0 3 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.960 113.2 48.6 -60.5 -54.1 45.6 68.8 62.2 99 127 A I H 3<5S+ 0 0 21 -4,-3.1 2,-0.8 1,-0.3 -2,-0.2 0.888 107.4 56.8 -52.5 -45.2 46.3 70.0 58.6 100 128 A D T 3<5S- 0 0 91 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.145 114.1-118.9 -83.5 42.3 49.2 72.1 60.1 101 129 A G T < 5S+ 0 0 62 -3,-1.1 -3,-0.2 -2,-0.8 -2,-0.1 0.722 79.4 125.5 20.6 49.6 50.8 68.8 61.5 102 130 A M S + c 0 273A 1 164,-2.6 3,-1.8 -2,-0.4 166,-0.7 -0.683 8.6 176.7-143.3 79.0 36.1 70.3 70.1 109 137 A W T 3 S+ 0 0 8 1,-0.3 166,-0.6 164,-0.2 164,-0.1 0.627 78.6 60.8 -65.4 -11.4 33.5 68.7 72.5 110 138 A S T 3 S+ 0 0 22 164,-0.2 -1,-0.3 -23,-0.1 2,-0.1 0.402 96.1 76.5 -95.4 6.1 31.0 71.4 71.8 111 139 A G < + 0 0 0 -3,-1.8 163,-1.6 161,-0.2 164,-0.2 -0.416 40.1 102.6-101.7-178.2 30.8 70.5 68.2 112 140 A G + 0 0 0 161,-0.2 2,-2.2 -2,-0.1 164,-0.2 0.501 32.8 155.0 116.6 14.3 29.1 67.5 66.5 113 141 A W + 0 0 47 1,-0.2 3,-0.5 162,-0.1 17,-0.5 -0.509 11.0 159.0 -80.6 84.6 26.0 69.3 65.1 114 142 A H + 0 0 4 -2,-2.2 43,-0.7 1,-0.2 42,-0.6 0.202 50.6 76.3 -89.5 7.3 25.5 66.7 62.4 115 143 A H S S+ 0 0 13 8,-0.2 -1,-0.2 7,-0.2 2,-0.2 0.411 71.8 103.5-102.3 0.8 21.8 67.3 61.6 116 144 A A - 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0 0 43 60,-1.9 4,-2.7 -2,-0.2 3,-0.4 -0.654 24.4-128.0 -82.4 134.9 6.1 76.6 100.5 409 73 B D H > S+ 0 0 92 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.806 112.4 57.6 -49.3 -33.0 6.4 80.5 100.7 410 74 B A H > S+ 0 0 75 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.971 110.6 41.6 -61.7 -52.7 10.1 80.0 100.5 411 75 B Y H >> S+ 0 0 26 -3,-0.4 4,-2.5 2,-0.2 3,-0.8 0.976 113.5 52.3 -56.5 -61.1 9.8 78.1 97.3 412 76 B L H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.853 112.7 46.1 -45.2 -42.7 7.2 80.5 95.9 413 77 B Q H 3X S+ 0 0 102 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.3 0.826 109.0 53.1 -76.1 -29.4 9.4 83.4 96.6 414 78 B H H X S+ 0 0 104 -4,-2.6 3,-2.2 2,-0.2 4,-1.5 0.975 115.5 43.7 -56.8 -64.2 12.8 86.2 92.5 418 82 B V H 3X S+ 0 0 26 -4,-2.6 4,-2.3 1,-0.3 3,-0.4 0.934 104.2 66.4 -48.4 -51.9 14.6 84.3 89.8 419 83 B S H 3< S+ 0 0 4 -4,-2.8 10,-2.3 -5,-0.3 -1,-0.3 0.633 104.4 47.6 -46.5 -17.1 11.6 84.8 87.4 420 84 B Q H <4 S+ 0 0 161 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.853 116.2 40.1 -94.0 -44.9 12.6 88.4 87.5 421 85 B E H < S- 0 0 94 -4,-1.5 2,-0.3 -3,-0.4 -2,-0.2 0.985 95.2-150.0 -69.6 -61.4 16.3 88.1 86.9 422 86 B G < - 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