==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-04 1T67 . 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,C.LU . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 3 0.8 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 0 0 1 1 1 0 2 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 3 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 . 0 0 0 0 0 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 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 14 A L 0 0 134 0, 0.0 112,-0.4 0, 0.0 113,-0.2 0.000 360.0 360.0 360.0 14.4 45.8 12.6 -1.6 2 15 A V - 0 0 72 109,-0.2 39,-0.1 1,-0.1 40,-0.1 -0.511 360.0 -91.3 -84.5 146.9 45.1 13.9 1.9 3 16 A P - 0 0 13 0, 0.0 39,-2.8 0, 0.0 2,-0.4 -0.204 37.2-121.4 -62.8 147.3 45.6 11.5 4.9 4 17 A V E -ab 42 115A 0 110,-3.2 112,-3.0 37,-0.2 2,-0.6 -0.735 19.9-159.6 -91.2 136.1 42.7 9.5 6.2 5 18 A Y E -ab 43 116A 9 37,-2.4 39,-2.9 -2,-0.4 2,-0.5 -0.952 11.0-144.9-115.8 107.6 41.7 10.0 9.8 6 19 A I E +a 44 0A 7 110,-3.2 112,-0.3 -2,-0.6 2,-0.3 -0.655 46.8 134.5 -73.8 124.7 39.6 7.2 11.2 7 20 A Y + 0 0 38 37,-2.1 -2,-0.1 -2,-0.5 3,-0.1 -0.864 21.0 149.5-173.1 134.2 37.2 8.9 13.6 8 21 A S > - 0 0 6 -2,-0.3 4,-2.8 37,-0.1 5,-0.2 -0.922 49.3-115.8-154.0 161.1 33.6 9.2 14.7 9 22 A P H > S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 118.6 53.8 -65.9 -35.2 32.1 10.1 18.1 10 23 A E H > S+ 0 0 129 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.924 112.0 46.0 -58.5 -46.1 30.7 6.5 18.4 11 24 A Y H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.945 113.5 45.4 -66.4 -51.0 34.1 5.2 17.8 12 25 A V H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 14,-0.3 0.923 114.5 51.4 -58.0 -41.9 36.0 7.5 20.2 13 26 A S H X S+ 0 0 78 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.935 109.8 48.6 -59.1 -48.2 33.2 6.8 22.7 14 27 A M H >< S+ 0 0 50 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.951 114.8 45.2 -56.8 -49.5 33.6 3.0 22.3 15 28 A C H >< S+ 0 0 4 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.775 103.6 62.6 -69.1 -31.7 37.4 3.3 22.7 16 29 A D H 3< S+ 0 0 28 -4,-2.6 7,-0.9 1,-0.2 -1,-0.3 0.632 93.2 69.7 -58.7 -16.9 37.1 5.6 25.7 17 30 A S T << + 0 0 73 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.565 64.1 116.9 -88.0 -6.6 35.4 2.6 27.4 18 31 A L X - 0 0 11 -3,-1.2 3,-1.1 3,-0.2 6,-0.2 -0.483 64.8-142.4 -58.0 116.1 38.6 0.5 27.6 19 32 A A T 3 S+ 0 0 61 -2,-0.3 -1,-0.2 1,-0.2 64,-0.1 0.836 95.7 56.6 -54.0 -37.5 38.9 0.2 31.4 20 33 A K T 3 S+ 0 0 71 1,-0.2 -1,-0.2 62,-0.2 -2,-0.1 0.771 121.7 23.1 -66.7 -30.4 42.7 0.5 31.2 21 34 A I S X S- 0 0 7 -3,-1.1 3,-1.8 -6,-0.2 4,-0.4 -0.380 79.7-172.5-137.6 55.4 42.7 3.9 29.5 22 35 A P T 3 S+ 0 0 61 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.191 73.1 3.0 -55.4 140.2 39.4 5.7 30.1 23 36 A K T 3> S+ 0 0 124 -7,-0.9 4,-2.0 -10,-0.1 5,-0.1 0.417 93.9 119.9 69.1 1.4 38.8 8.9 28.1 24 37 A R H <> S+ 0 0 5 -3,-1.8 4,-2.6 2,-0.2 5,-0.2 0.897 70.8 50.7 -67.7 -42.5 42.1 8.5 26.2 25 38 A A H > S+ 0 0 7 -4,-0.4 4,-2.9 -13,-0.2 5,-0.2 0.904 111.6 50.7 -59.9 -42.0 40.6 8.4 22.7 26 39 A S H > S+ 0 0 21 -14,-0.3 4,-3.5 2,-0.2 -2,-0.2 0.908 110.4 48.2 -59.4 -46.6 38.7 11.6 23.5 27 40 A M H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.906 113.9 46.4 -64.2 -41.4 41.8 13.4 24.7 28 41 A V H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.974 118.4 41.1 -64.9 -51.3 43.8 12.3 21.7 29 42 A H H X S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.920 113.2 55.4 -62.9 -42.3 41.0 13.3 19.3 30 43 A S H X S+ 0 0 4 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.828 108.6 46.6 -60.8 -38.7 40.2 16.5 21.3 31 44 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.921 114.0 47.4 -70.4 -44.6 43.8 17.7 21.1 32 45 A I H <>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 6,-0.5 0.910 114.3 48.0 -55.6 -46.7 44.0 17.0 17.3 33 46 A E H ><5S+ 0 0 84 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.877 108.1 54.9 -64.3 -40.5 40.6 18.7 16.9 34 47 A A H 3<5S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 109.0 47.3 -62.2 -34.3 41.9 21.6 19.0 35 48 A Y T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.455 110.4-128.0 -86.4 -0.8 44.8 22.0 16.6 36 49 A A T X 5 + 0 0 41 -3,-1.1 3,-0.9 -4,-0.2 4,-0.3 0.647 66.1 137.2 63.2 20.5 42.3 21.8 13.7 37 50 A L G > < + 0 0 3 -5,-1.8 3,-1.1 1,-0.2 -4,-0.2 0.768 64.1 63.4 -65.8 -29.1 44.4 19.0 12.1 38 51 A H G > S+ 0 0 19 -6,-0.5 3,-1.0 1,-0.3 -1,-0.2 0.755 93.5 62.5 -65.6 -27.0 41.2 17.0 11.3 39 52 A K G < S+ 0 0 161 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.715 103.8 50.7 -66.1 -18.9 40.2 19.9 9.1 40 53 A Q G < S+ 0 0 72 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.310 109.6 57.0-101.8 4.9 43.4 19.0 7.1 41 54 A M S < S- 0 0 13 -3,-1.0 2,-0.8 -39,-0.1 -37,-0.2 -0.788 90.6-102.0-128.4 170.1 42.6 15.3 6.7 42 55 A R E -a 4 0A 134 -39,-2.8 -37,-2.4 -2,-0.3 2,-0.4 -0.868 36.3-140.4-100.3 108.9 39.7 13.3 5.3 43 56 A I E -a 5 0A 78 -2,-0.8 2,-0.5 -5,-0.2 -37,-0.2 -0.534 20.3-168.3 -71.4 117.2 37.7 12.1 8.3 44 57 A V E -a 6 0A 18 -39,-2.9 -37,-2.1 -2,-0.4 59,-0.1 -0.955 18.1-134.9-114.2 121.8 36.5 8.5 7.6 45 58 A K - 0 0 134 -2,-0.5 -37,-0.1 -39,-0.2 2,-0.1 -0.567 33.5-118.3 -69.8 127.8 33.9 6.9 9.8 46 59 A P - 0 0 19 0, 0.0 53,-0.2 0, 0.0 2,-0.1 -0.418 16.3-125.7 -74.2 141.4 35.1 3.4 10.7 47 60 A K - 0 0 48 51,-0.6 2,-0.5 -2,-0.1 55,-0.2 -0.464 26.2-116.1 -70.5 151.6 33.2 0.2 9.8 48 61 A V - 0 0 104 50,-0.2 2,-0.5 -2,-0.1 47,-0.2 -0.843 38.2-110.4 -84.8 129.6 32.4 -2.2 12.6 49 62 A A - 0 0 3 45,-3.4 49,-0.1 -2,-0.5 48,-0.1 -0.519 32.4-136.9 -65.5 114.9 34.3 -5.4 11.9 50 63 A S > - 0 0 37 -2,-0.5 4,-1.7 1,-0.1 3,-0.4 -0.229 26.9-101.0 -63.4 160.5 31.9 -8.2 10.9 51 64 A M H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.900 122.8 48.7 -50.5 -50.1 32.3 -11.7 12.3 52 65 A E H 4 S+ 0 0 136 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.806 106.2 58.4 -64.9 -30.7 34.0 -13.1 9.2 53 66 A E H >4 S+ 0 0 49 -3,-0.4 3,-0.7 1,-0.2 -1,-0.2 0.893 110.7 40.3 -66.7 -42.1 36.4 -10.1 9.1 54 67 A M H >X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 3,-1.4 0.754 105.1 69.3 -76.0 -24.3 37.8 -10.8 12.6 55 68 A A T 3< S+ 0 0 29 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.609 77.6 81.5 -65.5 -14.7 37.7 -14.5 11.7 56 69 A T T <4 S+ 0 0 66 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.801 120.0 1.1 -60.9 -28.9 40.5 -13.8 9.2 57 70 A F T <4 S+ 0 0 30 -3,-1.4 2,-0.3 1,-0.2 -2,-0.2 0.665 120.8 71.0-124.5 -51.4 42.8 -14.0 12.3 58 71 A H S < S- 0 0 0 -4,-2.4 70,-0.2 1,-0.1 -1,-0.2 -0.576 84.1-114.4 -76.3 136.1 40.9 -14.8 15.5 59 72 A T > - 0 0 48 68,-1.4 4,-2.0 -2,-0.3 3,-0.1 -0.332 23.7-119.1 -68.7 152.5 39.5 -18.3 15.8 60 73 A D H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.774 109.5 59.9 -69.6 -32.1 35.7 -18.6 15.8 61 74 A A H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 110.2 44.8 -59.2 -47.7 35.4 -20.2 19.3 62 75 A Y H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.970 113.5 47.9 -58.5 -58.9 37.1 -17.1 20.7 63 76 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.896 113.4 48.3 -50.6 -45.3 35.1 -14.5 18.7 64 77 A Q H X S+ 0 0 54 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.855 110.6 52.8 -67.0 -35.6 31.8 -16.3 19.6 65 78 A H H X S+ 0 0 41 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.934 105.9 51.4 -63.3 -50.0 32.8 -16.3 23.2 66 79 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 24,-0.4 0.901 106.8 57.6 -51.6 -43.6 33.6 -12.6 23.3 67 80 A Q H X S+ 0 0 106 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.908 110.7 40.0 -55.5 -48.4 30.1 -12.0 21.9 68 81 A K H >< S+ 0 0 71 -4,-1.5 3,-0.7 2,-0.2 -2,-0.2 0.932 115.3 50.2 -70.1 -48.3 28.3 -13.8 24.7 69 82 A V H 3< S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.865 107.3 57.1 -55.0 -39.2 30.5 -12.4 27.5 70 83 A S H 3< 0 0 11 -4,-2.6 18,-1.0 -5,-0.3 -1,-0.3 0.814 360.0 360.0 -61.7 -33.2 29.8 -9.0 25.9 71 84 A Q << 0 0 118 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.1 0.896 360.0 360.0 -75.3 360.0 26.1 -9.6 26.4 72 ! 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 73 92 A D >> 0 0 122 0, 0.0 3,-1.0 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 0.8 37.4 -21.3 30.8 74 93 A S T 34> + 0 0 40 1,-0.3 5,-2.2 2,-0.2 -9,-0.0 0.762 360.0 62.3 -66.1 -27.3 37.5 -17.5 30.2 75 94 A I T >45S+ 0 0 142 1,-0.2 3,-0.6 3,-0.2 -1,-0.3 0.709 99.4 57.4 -67.3 -22.6 41.0 -17.6 31.6 76 95 A E T <45S+ 0 0 55 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.867 101.6 51.8 -71.1 -41.3 41.6 -19.9 28.6 77 96 A Y T 3<5S- 0 0 62 -4,-1.0 53,-1.7 52,-0.1 -1,-0.2 0.022 123.9-106.3 -84.5 25.4 40.5 -17.2 26.2 78 97 A G T < 5S+ 0 0 22 -3,-0.6 5,-0.2 51,-0.2 -3,-0.2 0.493 75.1 141.3 64.1 6.1 43.0 -14.8 27.9 79 98 A L < + 0 0 8 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.505 26.3 73.7 -81.9 151.0 40.3 -12.9 29.7 80 99 A G S S+ 0 0 33 3,-2.6 -1,-0.0 -2,-0.2 -5,-0.0 -0.962 93.8 3.7 151.3-133.7 40.6 -11.7 33.3 81 100 A Y S S+ 0 0 200 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.922 136.1 32.2 -55.8 -60.9 42.7 -8.9 34.9 82 101 A D S S+ 0 0 62 1,-0.3 -1,-0.2 -4,-0.1 -62,-0.2 0.793 132.7 36.2 -65.0 -32.1 44.3 -7.2 31.7 83 102 A C S S- 0 0 0 -5,-0.2 -3,-2.6 47,-0.1 -1,-0.3 -0.749 82.1-164.2-129.4 82.4 41.2 -8.1 29.7 84 103 A P - 0 0 54 0, 0.0 2,-1.2 0, 0.0 -3,-0.1 -0.297 25.3-124.9 -63.9 149.8 37.9 -7.8 31.7 85 104 A A + 0 0 48 3,-0.0 2,-0.3 4,-0.0 3,-0.0 -0.566 52.8 163.0 -90.4 70.1 34.7 -9.4 30.4 86 105 A T > - 0 0 31 -2,-1.2 3,-2.2 1,-0.1 4,-0.2 -0.660 50.4 -79.9 -99.9 147.0 32.7 -6.2 30.6 87 106 A E T 3 S+ 0 0 82 -2,-0.3 -16,-0.2 1,-0.3 -17,-0.1 -0.152 117.9 13.9 -40.0 104.9 29.4 -5.2 29.0 88 107 A G T 3> S+ 0 0 19 -18,-1.0 4,-1.8 -21,-0.1 -1,-0.3 0.450 78.2 129.0 109.4 5.6 30.2 -4.3 25.4 89 108 A I H <> S+ 0 0 17 -3,-2.2 4,-2.6 1,-0.2 5,-0.1 0.782 75.9 54.4 -66.2 -27.7 33.8 -5.7 24.9 90 109 A F H > S+ 0 0 22 -24,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.923 109.4 46.4 -69.7 -44.1 32.8 -7.5 21.7 91 110 A D H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.821 111.0 56.7 -64.2 -29.1 31.5 -4.3 20.3 92 111 A Y H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.959 110.9 40.1 -63.3 -55.3 34.7 -2.8 21.5 93 112 A A H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.928 113.6 53.9 -60.6 -48.6 36.9 -5.3 19.6 94 113 A A H X S+ 0 0 3 -4,-2.9 -45,-3.4 1,-0.2 4,-1.7 0.829 111.2 47.8 -56.5 -34.5 34.6 -5.1 16.5 95 114 A A H X S+ 0 0 10 -4,-1.6 4,-2.3 -47,-0.2 -2,-0.2 0.924 114.3 43.9 -73.1 -46.2 35.0 -1.3 16.5 96 115 A I H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.960 117.9 44.4 -65.2 -48.4 38.8 -1.3 16.9 97 116 A G H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.921 114.1 50.0 -59.2 -47.1 39.3 -4.1 14.3 98 117 A G H X S+ 0 0 0 -4,-1.7 4,-3.2 -5,-0.3 -51,-0.6 0.873 107.5 55.7 -57.2 -39.9 36.8 -2.5 11.9 99 118 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.914 111.2 42.2 -62.6 -41.6 38.6 0.8 12.3 100 119 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.894 114.4 51.4 -74.9 -37.1 42.0 -0.6 11.3 101 120 A I H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 109.6 50.5 -60.5 -46.3 40.4 -2.6 8.5 102 121 A T H X S+ 0 0 19 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.913 109.5 51.7 -58.1 -46.9 38.7 0.6 7.3 103 122 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.926 112.5 44.9 -52.5 -50.4 42.1 2.4 7.4 104 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.822 110.5 55.0 -63.5 -32.6 43.7 -0.4 5.3 105 124 A Q H X S+ 0 0 55 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.839 105.7 51.5 -73.5 -35.6 40.7 -0.4 2.9 106 125 A C H <>S+ 0 0 6 -4,-2.2 5,-2.4 2,-0.2 6,-0.7 0.869 111.8 49.7 -58.9 -40.7 41.2 3.3 2.3 107 126 A L H ><5S+ 0 0 5 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.953 111.3 44.8 -67.6 -53.4 44.8 2.5 1.5 108 127 A I H 3<5S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.701 111.4 55.5 -65.2 -21.2 44.2 -0.4 -1.0 109 128 A D T 3<5S- 0 0 106 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.509 112.3-120.9 -86.4 -4.2 41.5 1.8 -2.6 110 129 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.734 71.6 136.2 67.4 23.0 44.0 4.6 -3.2 111 130 A M S + c 0 282A 1 164,-3.2 3,-2.3 -2,-0.5 166,-1.4 -0.736 5.0 176.3-133.0 84.4 43.8 5.0 13.5 118 137 A W T 3 S+ 0 0 9 -112,-0.3 166,-0.5 1,-0.3 -1,-0.1 0.705 80.5 60.7 -62.3 -20.8 45.2 6.4 16.7 119 138 A S T 3 S+ 0 0 15 -113,-0.2 -1,-0.3 164,-0.2 163,-0.1 0.466 97.4 74.6 -84.9 -3.7 42.9 4.1 18.7 120 139 A G < + 0 0 0 -3,-2.3 3,-0.1 161,-0.2 -23,-0.1 -0.089 40.0 99.9 -93.6-164.5 44.5 0.9 17.1 121 140 A G + 0 0 0 161,-0.1 2,-2.4 1,-0.1 164,-0.2 0.648 33.8 156.1 99.6 18.0 47.7 -0.9 17.7 122 141 A W > + 0 0 11 1,-0.2 3,-0.9 14,-0.2 16,-0.2 -0.426 13.3 163.9 -84.0 73.8 46.5 -3.7 20.0 123 142 A H T 3 + 0 0 4 -2,-2.4 43,-1.1 1,-0.2 42,-1.0 0.346 51.3 68.3 -83.2 0.6 49.4 -5.8 19.0 124 143 A H T 3 + 0 0 6 7,-0.3 -1,-0.2 41,-0.2 8,-0.1 0.656 66.9 113.4 -95.0 -19.5 49.4 -8.6 21.7 125 144 A A < - 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