==== 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 23-OCT-08 3EZT . COMPND 2 MOLECULE: HISTONE DEACETYLASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.P.DOWLING,S.L.GANTT,S.G.GATTIS,C.A.FIERKE,D.W.CHRISTIANON . 714 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 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 . 6 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 . 59 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 2 0 0 2 2 2 0 4 4 0 0 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 3 2 6 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 . 6 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 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 14 A L 0 0 192 0, 0.0 111,-0.1 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 -10.0 -3.9 -22.1 29.7 2 15 A V - 0 0 61 109,-0.3 112,-0.1 1,-0.0 39,-0.1 -0.918 360.0 -97.4-118.7 141.2 -4.7 -19.5 27.0 3 16 A P - 0 0 16 0, 0.0 39,-2.7 0, 0.0 2,-0.5 -0.115 29.7-134.6 -51.1 135.1 -4.6 -15.7 27.0 4 17 A V E -ab 42 115A 0 110,-2.5 112,-3.4 37,-0.2 2,-0.7 -0.837 12.6-159.1 -98.1 127.1 -7.7 -13.6 27.6 5 18 A Y E -ab 43 116A 10 37,-1.4 2,-0.9 -2,-0.5 39,-0.7 -0.883 12.1-143.9-108.8 101.9 -8.3 -10.7 25.3 6 19 A I E +a 44 0A 9 110,-2.6 2,-0.3 -2,-0.7 39,-0.2 -0.524 47.1 137.2 -67.3 104.9 -10.6 -8.1 26.9 7 20 A Y + 0 0 42 37,-2.9 -2,-0.1 -2,-0.9 3,-0.1 -0.999 25.2 156.0-155.6 151.8 -12.6 -6.9 23.8 8 21 A S >> - 0 0 10 -2,-0.3 3,-3.3 37,-0.1 4,-1.5 -0.740 44.6-122.6-172.5 119.2 -16.0 -5.9 22.5 9 22 A P H 3> S+ 0 0 73 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.752 115.0 56.7 -37.1 -34.0 -16.7 -3.6 19.5 10 23 A E H 3> S+ 0 0 126 1,-0.2 4,-0.8 2,-0.2 -3,-0.0 0.813 108.6 47.9 -70.5 -29.4 -18.8 -1.4 21.9 11 24 A Y H <> S+ 0 0 11 -3,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.910 106.6 54.2 -76.1 -47.8 -15.8 -1.0 24.2 12 25 A V H X S+ 0 0 13 -4,-1.5 4,-2.6 1,-0.2 14,-0.2 0.870 110.7 45.3 -57.7 -41.3 -13.2 -0.1 21.5 13 26 A S H X S+ 0 0 74 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.850 106.8 60.8 -70.9 -32.8 -15.3 2.8 20.1 14 27 A M H < S+ 0 0 64 -4,-0.8 3,-0.4 -5,-0.2 -2,-0.2 0.944 110.9 41.8 -55.0 -47.3 -15.9 3.8 23.7 15 28 A C H >< S+ 0 0 8 -4,-2.1 3,-3.1 1,-0.2 -2,-0.2 0.964 104.8 59.5 -64.9 -59.2 -12.1 4.2 24.0 16 29 A D H 3< S+ 0 0 21 -4,-2.6 7,-0.6 1,-0.3 -1,-0.2 0.732 89.3 81.5 -43.9 -22.8 -11.4 5.9 20.6 17 30 A S T 3< + 0 0 77 -4,-1.1 2,-0.5 -3,-0.4 -1,-0.3 0.711 66.4 99.9 -58.3 -24.1 -13.8 8.5 22.0 18 31 A L X - 0 0 24 -3,-3.1 3,-1.4 3,-0.2 5,-0.0 -0.553 66.1-150.6 -72.0 119.5 -10.9 10.1 24.0 19 32 A A T 3 S+ 0 0 59 -2,-0.5 -1,-0.2 1,-0.3 -3,-0.0 0.816 91.1 68.9 -57.4 -34.4 -9.6 13.1 22.2 20 33 A K T 3 S+ 0 0 39 1,-0.3 -1,-0.3 113,-0.1 -3,-0.0 0.777 121.0 13.7 -57.8 -28.8 -6.1 12.6 23.6 21 34 A I S X S- 0 0 22 -3,-1.4 3,-1.5 -6,-0.2 4,-0.4 -0.436 84.5-163.7-148.6 67.6 -5.7 9.5 21.5 22 35 A P T 3 S- 0 0 27 0, 0.0 -5,-0.1 0, 0.0 -6,-0.1 -0.245 72.7 -7.9 -57.8 134.9 -8.3 9.3 18.8 23 36 A K T 3> S+ 0 0 111 -7,-0.6 4,-2.2 -10,-0.1 5,-0.2 0.521 92.3 125.2 57.2 9.1 -8.9 5.9 17.1 24 37 A R H <> S+ 0 0 14 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.913 70.0 55.0 -63.5 -40.5 -5.8 4.4 18.9 25 38 A A H > S+ 0 0 12 -4,-0.4 4,-2.3 2,-0.2 5,-0.2 0.879 109.1 47.4 -59.1 -40.8 -7.9 1.5 20.3 26 39 A S H > S+ 0 0 25 -14,-0.2 4,-4.0 2,-0.2 5,-0.3 0.984 111.5 49.6 -64.6 -56.8 -9.1 0.5 16.9 27 40 A M H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.858 112.7 48.0 -49.2 -43.5 -5.7 0.6 15.3 28 41 A V H X S+ 0 0 5 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.973 120.0 36.9 -63.4 -54.3 -4.3 -1.5 18.1 29 42 A H H X S+ 0 0 12 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.951 116.3 52.2 -61.5 -56.1 -7.1 -4.1 17.9 30 43 A S H X S+ 0 0 8 -4,-4.0 4,-3.2 1,-0.2 5,-0.2 0.923 110.1 49.0 -46.4 -54.1 -7.4 -4.0 14.2 31 44 A L H X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.864 113.2 47.1 -58.3 -37.8 -3.7 -4.6 13.7 32 45 A I H <>S+ 0 0 0 -4,-1.6 5,-1.9 -5,-0.2 3,-0.4 0.918 113.5 48.5 -69.7 -41.3 -3.8 -7.5 16.1 33 46 A E H ><5S+ 0 0 89 -4,-3.4 3,-2.2 1,-0.2 -2,-0.2 0.885 106.3 56.4 -64.1 -40.5 -6.9 -8.9 14.4 34 47 A A H 3<5S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.3 53.9 -62.5 -25.9 -5.3 -8.5 11.0 35 48 A Y T 3<5S- 0 0 23 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.358 113.6-125.9 -88.0 5.4 -2.5 -10.7 12.3 36 49 A A T < 5 + 0 0 47 -3,-2.2 3,-0.3 1,-0.1 -3,-0.2 0.821 69.2 133.7 53.9 37.6 -5.2 -13.2 13.2 37 50 A L > < + 0 0 3 -5,-1.9 3,-1.6 1,-0.2 -4,-0.2 0.676 56.6 69.7 -89.5 -18.2 -4.1 -13.3 16.9 38 51 A H G > S+ 0 0 26 -6,-0.3 3,-0.8 1,-0.3 5,-0.3 0.605 88.6 68.8 -72.9 -9.7 -7.5 -12.9 18.4 39 52 A K G 3 S+ 0 0 165 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.474 99.8 48.3 -84.1 -5.3 -8.1 -16.5 17.0 40 53 A Q G < S+ 0 0 64 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.100 105.4 71.7-120.1 19.3 -5.6 -17.7 19.6 41 54 A M S < S- 0 0 14 -3,-0.8 2,-1.4 -39,-0.1 -37,-0.2 -0.986 84.4-113.0-138.8 147.7 -7.1 -15.8 22.6 42 55 A R E -a 4 0A 121 -39,-2.7 -37,-1.4 -2,-0.3 2,-1.2 -0.640 36.5-144.9 -79.1 94.1 -10.2 -16.2 24.7 43 56 A I E -a 5 0A 80 -2,-1.4 2,-0.3 -5,-0.3 -37,-0.2 -0.464 21.5-171.1 -66.2 96.0 -12.0 -13.0 23.7 44 57 A V E -a 6 0A 27 -2,-1.2 -37,-2.9 -39,-0.7 59,-0.0 -0.684 20.0-125.3 -91.0 142.8 -13.7 -11.9 26.9 45 58 A K - 0 0 138 -2,-0.3 -37,-0.1 -39,-0.2 2,-0.1 -0.700 28.1-115.9 -88.3 133.9 -16.2 -9.1 26.9 46 59 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 53,-0.2 -0.420 20.3-143.9 -71.8 145.2 -15.6 -6.2 29.3 47 60 A K - 0 0 126 51,-0.6 55,-0.3 -2,-0.1 54,-0.2 -0.935 22.6-115.7-111.4 122.9 -18.0 -5.4 32.1 48 61 A V - 0 0 98 -2,-0.5 2,-0.3 1,-0.1 47,-0.2 -0.180 34.8-108.5 -55.2 149.1 -18.6 -1.8 33.1 49 62 A A - 0 0 5 45,-1.8 2,-0.2 2,-0.0 49,-0.1 -0.627 28.0-134.1 -84.3 138.2 -17.5 -0.9 36.6 50 63 A S >> - 0 0 38 -2,-0.3 3,-2.9 1,-0.1 4,-2.0 -0.578 25.6-108.3 -89.4 153.9 -20.2 -0.2 39.3 51 64 A M H 3> S+ 0 0 43 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.827 121.2 54.7 -49.5 -36.7 -20.1 2.8 41.6 52 65 A E H 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.597 109.0 49.5 -75.7 -8.8 -19.2 0.5 44.5 53 66 A E H X4 S+ 0 0 41 -3,-2.9 3,-1.0 2,-0.2 -2,-0.2 0.831 111.0 45.2 -94.5 -41.0 -16.3 -0.9 42.5 54 67 A M H >X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 3,-0.9 0.738 107.6 64.2 -71.5 -21.0 -14.8 2.5 41.5 55 68 A A T 3< S+ 0 0 36 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.622 77.3 82.9 -76.6 -15.2 -15.4 3.4 45.2 56 69 A T T <4 S+ 0 0 74 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.1 0.480 119.6 3.3 -68.7 -0.8 -12.9 0.8 46.3 57 70 A F T <4 S+ 0 0 35 -3,-0.9 2,-0.3 1,-0.3 -2,-0.2 0.402 118.8 72.1-144.6 -53.0 -10.3 3.4 45.6 58 71 A H S < S- 0 0 1 -4,-2.2 -1,-0.3 1,-0.1 70,-0.2 -0.559 83.1-113.5 -80.5 136.4 -11.8 6.7 44.5 59 72 A T >> - 0 0 42 68,-1.4 4,-2.5 -2,-0.3 3,-0.6 -0.348 20.2-123.2 -66.1 146.3 -13.6 8.9 47.1 60 73 A D H 3> S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.863 112.4 61.4 -58.9 -35.8 -17.3 9.3 46.6 61 74 A A H 3> S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 109.6 41.2 -57.5 -40.4 -16.8 13.0 46.6 62 75 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.5 1,-0.2 5,-0.2 0.942 112.8 52.0 -72.7 -49.6 -14.6 12.6 43.4 63 76 A L H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.711 111.5 50.1 -60.9 -20.4 -16.8 10.0 41.7 64 77 A Q H X S+ 0 0 75 -4,-1.6 4,-2.2 -5,-0.2 3,-0.3 0.958 112.2 43.4 -79.8 -58.5 -19.8 12.3 42.2 65 78 A H H X S+ 0 0 38 -4,-1.9 4,-2.6 1,-0.3 5,-0.2 0.804 115.1 51.7 -55.4 -31.7 -18.2 15.4 40.8 66 79 A L H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 24,-0.4 0.887 109.1 49.9 -72.7 -37.9 -16.8 13.3 38.0 67 80 A Q H X S+ 0 0 59 -4,-1.0 4,-0.6 -3,-0.3 -2,-0.2 0.810 114.8 45.8 -68.4 -32.6 -20.3 11.9 37.4 68 81 A K H >< S+ 0 0 93 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.952 110.0 48.7 -77.1 -54.9 -21.7 15.5 37.2 69 82 A V H 3< S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.839 112.2 52.9 -55.3 -31.1 -19.1 17.1 35.0 70 83 A S H 3< 0 0 13 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.793 360.0 360.0 -72.4 -28.4 -19.7 14.1 32.7 71 84 A Q << 0 0 182 -3,-1.0 -3,-0.1 -4,-0.6 -4,-0.0 -0.362 360.0 360.0 -56.9 360.0 -23.4 15.0 32.8 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 0 164 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.4 -15.7 24.9 40.2 74 93 A S > > + 0 0 33 1,-0.2 3,-1.0 2,-0.1 5,-1.0 0.823 360.0 77.9 -88.5 -36.6 -14.0 22.1 38.3 75 94 A I G > 5S+ 0 0 127 1,-0.2 3,-0.9 3,-0.2 -1,-0.2 0.649 76.8 87.3 -48.5 -15.3 -10.4 22.9 39.3 76 95 A E G 3 5S+ 0 0 112 1,-0.3 2,-0.9 -3,-0.2 -1,-0.2 0.959 94.1 31.4 -49.4 -65.0 -11.3 21.2 42.5 77 96 A Y G < 5S- 0 0 48 -3,-1.0 53,-1.3 1,-0.1 -1,-0.3 -0.486 123.8 -86.1 -99.6 63.1 -10.6 17.6 41.5 78 97 A G T < 5S+ 0 0 22 -3,-0.9 2,-0.3 -2,-0.9 -3,-0.2 0.586 86.9 141.4 48.3 12.6 -7.7 18.0 39.0 79 98 A L < + 0 0 2 -5,-1.0 2,-0.2 1,-0.1 -1,-0.2 -0.671 32.5 57.7 -85.1 135.9 -10.2 18.6 36.3 80 99 A G B >S+h 84 0B 22 3,-1.1 5,-0.6 -2,-0.3 3,-0.2 -0.681 98.1 17.3 159.6 -90.0 -9.6 21.2 33.6 81 100 A Y T 5S+ 0 0 65 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.989 131.0 27.5 -80.4 -76.6 -6.7 21.3 31.2 82 101 A E T 5S+ 0 0 61 1,-0.3 51,-1.7 -4,-0.1 -1,-0.2 0.119 130.3 48.0 -75.2 24.5 -4.9 18.0 31.1 83 102 A C T 5S- 0 0 0 -3,-0.2 -3,-1.1 49,-0.1 -1,-0.3 -0.268 92.0-138.6-162.3 62.1 -8.2 16.4 32.0 84 103 A P B 5 -h 80 0B 27 0, 0.0 2,-2.5 0, 0.0 -3,-0.1 0.061 6.5-155.2 -31.0 98.5 -11.0 17.8 29.7 85 104 A A < + 0 0 35 -5,-0.6 3,-0.1 1,-0.1 -6,-0.0 -0.365 61.2 103.0 -78.2 60.4 -14.0 18.5 32.0 86 105 A T + 0 0 96 -2,-2.5 3,-0.3 1,-0.1 -1,-0.1 0.327 65.4 6.8-114.1-121.6 -16.3 18.2 29.0 87 106 A E S S- 0 0 150 1,-0.2 2,-1.7 2,-0.1 3,-0.3 0.437 104.0 -46.1 -59.4-159.9 -18.6 15.5 27.6 88 107 A G S > S+ 0 0 22 1,-0.2 4,-0.8 2,-0.1 -1,-0.2 -0.531 70.0 148.2 -78.0 86.4 -19.6 12.2 29.3 89 108 A I H > + 0 0 17 -2,-1.7 4,-3.4 -3,-0.3 5,-0.2 0.794 59.7 73.4 -87.0 -32.5 -16.2 10.9 30.5 90 109 A F H > S+ 0 0 21 -24,-0.4 4,-2.8 -3,-0.3 5,-0.2 0.924 100.5 45.2 -44.8 -55.9 -17.6 9.2 33.6 91 110 A D H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.967 112.8 50.7 -51.1 -59.8 -19.1 6.4 31.4 92 111 A Y H X S+ 0 0 13 -4,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.864 113.1 47.0 -45.3 -45.9 -15.8 6.2 29.4 93 112 A A H X S+ 0 0 2 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.890 109.3 51.1 -67.1 -44.0 -13.9 5.9 32.7 94 113 A A H X S+ 0 0 3 -4,-2.8 4,-2.9 -5,-0.2 -45,-1.8 0.806 107.9 56.2 -64.8 -29.7 -16.1 3.3 34.2 95 114 A A H X S+ 0 0 6 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.930 111.0 40.4 -67.6 -49.6 -15.8 1.2 31.0 96 115 A I H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.898 116.4 51.8 -67.2 -40.9 -12.0 1.1 31.1 97 116 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.969 111.8 44.9 -59.9 -53.2 -12.1 0.6 34.9 98 117 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -51,-0.6 0.814 108.2 60.9 -60.2 -28.9 -14.5 -2.3 34.6 99 118 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.914 108.2 41.7 -64.2 -43.0 -12.4 -3.6 31.7 100 119 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.4 -2,-0.2 0.814 116.1 49.0 -75.3 -31.2 -9.3 -4.0 34.0 101 120 A I H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.899 108.4 53.2 -73.9 -39.8 -11.4 -5.4 36.8 102 121 A T H X S+ 0 0 10 -4,-2.9 4,-1.7 -55,-0.3 -2,-0.2 0.846 111.6 48.3 -61.3 -31.4 -13.0 -7.9 34.4 103 122 A A H X S+ 0 0 0 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.931 108.0 52.5 -73.0 -46.5 -9.5 -8.8 33.5 104 123 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.4 0.907 107.0 55.2 -53.6 -46.0 -8.4 -9.1 37.1 105 124 A Q H >X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 3,-1.6 0.951 102.2 53.2 -53.7 -59.3 -11.4 -11.5 37.7 106 125 A C H 3<>S+ 0 0 4 -4,-1.7 5,-1.1 1,-0.3 6,-0.8 0.824 105.0 59.6 -47.4 -34.5 -10.5 -13.9 35.0 107 126 A L H ><5S+ 0 0 5 -4,-1.4 3,-0.6 -3,-0.4 -1,-0.3 0.854 109.5 40.0 -65.9 -35.7 -7.0 -14.1 36.6 108 127 A I H <<5S+ 0 0 28 -3,-1.6 -2,-0.2 -4,-1.1 -1,-0.2 0.909 107.6 60.2 -80.4 -42.8 -8.4 -15.3 39.9 109 128 A D T 3<5S- 0 0 94 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.1 0.176 110.8-121.3 -71.1 21.5 -11.0 -17.7 38.4 110 129 A G T < 5S+ 0 0 55 -3,-0.6 -3,-0.2 -5,-0.2 -1,-0.1 0.564 73.1 137.8 54.4 5.8 -8.0 -19.4 36.9 111 130 A M S + c 0 282A 2 164,-2.6 3,-1.9 -2,-0.4 166,-1.0 -0.649 7.0 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