==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 05-APR-04 1SZC . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE HST2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.ZHAO,R.HARSHAW,X.CHAI,R.MARMORSTEIN . 299 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 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 PARALLEL BRIDGES PER LADDER . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 -2 A M 0 0 128 0, 0.0 2,-0.1 0, 0.0 97,-0.1 0.000 360.0 360.0 360.0 -27.1 -19.9 42.5 -29.3 2 -1 A A - 0 0 106 96,-0.0 2,-0.3 1,-0.0 269,-0.1 -0.436 360.0-176.1 -69.8 138.3 -22.1 39.7 -27.8 3 0 A S - 0 0 41 -2,-0.1 2,-0.3 267,-0.1 -1,-0.0 -0.856 14.7-165.1-132.3 168.0 -21.0 36.1 -28.4 4 1 A M - 0 0 146 -2,-0.3 264,-0.2 0, 0.0 267,-0.2 -0.930 38.4 -81.0-144.5 165.1 -22.1 32.6 -27.8 5 2 A S - 0 0 42 -2,-0.3 262,-0.1 1,-0.1 5,-0.1 -0.346 31.7-127.7 -70.1 152.1 -20.4 29.1 -28.0 6 3 A V S S+ 0 0 55 260,-0.2 2,-0.2 3,-0.1 -1,-0.1 0.821 86.7 1.6 -69.6 -30.5 -20.1 27.4 -31.4 7 4 A S S S- 0 0 64 2,-0.4 -2,-0.1 259,-0.2 -1,-0.0 -0.831 84.6 -89.3-144.6-177.5 -21.7 24.2 -30.1 8 5 A T S S+ 0 0 152 -2,-0.2 2,-0.1 2,-0.1 -3,-0.0 0.768 97.8 95.7 -69.6 -24.1 -23.3 22.6 -27.1 9 6 A A S S- 0 0 57 1,-0.1 -2,-0.4 2,-0.0 2,-0.3 -0.392 77.8-126.3 -68.1 142.9 -19.8 21.4 -26.0 10 7 A S - 0 0 72 1,-0.1 4,-0.2 -2,-0.1 3,-0.1 -0.719 20.7-172.5 -93.4 141.6 -18.0 23.7 -23.5 11 8 A T > + 0 0 13 -2,-0.3 4,-3.0 2,-0.1 5,-0.3 0.371 63.2 100.4-108.7 -1.2 -14.5 24.9 -24.2 12 9 A E H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.837 80.9 50.6 -54.3 -38.7 -14.1 26.4 -20.8 13 10 A M H > S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 112.6 44.8 -67.3 -47.2 -12.0 23.5 -19.5 14 11 A S H > S+ 0 0 37 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.914 115.1 49.1 -62.2 -42.0 -9.7 23.6 -22.5 15 12 A V H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 3,-0.4 0.886 104.2 61.2 -63.8 -37.6 -9.5 27.4 -22.1 16 13 A R H X S+ 0 0 120 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.873 96.1 59.0 -57.0 -40.1 -8.8 26.8 -18.4 17 14 A K H X S+ 0 0 115 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.2 0.907 104.4 52.0 -56.0 -41.6 -5.6 24.9 -19.2 18 15 A I H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.2 0.927 110.0 46.9 -60.4 -46.9 -4.4 28.0 -21.0 19 16 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.852 111.0 53.8 -63.4 -34.3 -5.1 30.2 -17.9 20 17 A A H X S+ 0 0 45 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.879 105.5 52.4 -67.5 -39.5 -3.4 27.6 -15.8 21 18 A H H X S+ 0 0 40 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.907 112.5 45.3 -62.9 -42.5 -0.2 27.7 -17.9 22 19 A M H < S+ 0 0 20 -4,-1.9 6,-0.3 2,-0.2 -2,-0.2 0.863 109.9 54.0 -69.6 -37.3 -0.1 31.5 -17.5 23 20 A K H < S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 111.6 45.4 -65.0 -35.9 -0.7 31.3 -13.8 24 21 A S H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.784 119.6 42.4 -76.6 -28.8 2.2 28.9 -13.4 25 22 A N >< + 0 0 27 -4,-1.4 3,-2.0 -5,-0.2 -1,-0.3 -0.578 68.9 163.9-117.9 66.6 4.4 31.1 -15.6 26 23 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.698 76.7 48.8 -56.5 -24.8 3.5 34.6 -14.4 27 24 A N T 3 S+ 0 0 131 -3,-0.1 2,-0.2 2,-0.1 -5,-0.0 0.218 91.5 105.2-102.5 14.3 6.6 36.1 -16.1 28 25 A A < - 0 0 13 -3,-2.0 2,-0.3 -6,-0.3 187,-0.1 -0.548 57.0-146.0 -92.2 159.5 6.0 34.5 -19.4 29 26 A K - 0 0 64 185,-0.3 188,-1.0 -2,-0.2 2,-0.4 -0.803 8.1-130.0-121.6 164.7 4.7 36.2 -22.6 30 27 A V E -ab 112 217A 4 81,-2.6 83,-2.9 -2,-0.3 84,-1.2 -0.894 5.3-152.5-119.6 145.8 2.5 35.1 -25.4 31 28 A I E -ab 114 218A 0 186,-2.4 188,-2.6 -2,-0.4 2,-0.4 -0.976 15.9-157.3-114.8 126.1 2.9 35.3 -29.2 32 29 A F E -ab 115 219A 0 82,-2.6 84,-3.3 -2,-0.5 2,-0.5 -0.823 10.5-168.1-104.9 144.7 -0.3 35.4 -31.2 33 30 A M E +ab 116 220A 0 186,-2.1 188,-2.8 -2,-0.4 2,-0.3 -0.979 25.2 178.9-128.9 113.5 -0.6 34.5 -34.9 34 31 A V E -ab 117 221A 0 82,-2.9 84,-1.9 -2,-0.5 85,-0.3 -0.848 15.8-178.9-126.1 159.2 -4.0 35.6 -36.3 35 32 A G > - 0 0 1 186,-1.8 3,-1.8 -2,-0.3 4,-0.2 -0.616 54.4 -57.7-134.9-166.7 -6.1 35.7 -39.4 36 33 A A G >> S+ 0 0 53 1,-0.3 3,-1.8 -2,-0.2 4,-0.6 0.717 114.9 76.8 -52.4 -28.1 -9.4 36.8 -40.9 37 34 A G G >4 S+ 0 0 25 185,-2.5 3,-0.9 1,-0.3 4,-0.4 0.843 87.1 58.5 -55.2 -35.9 -11.4 34.8 -38.4 38 35 A I G <4 S+ 0 0 0 -3,-1.8 62,-0.3 184,-0.4 -1,-0.3 0.581 108.9 45.0 -74.3 -5.8 -10.7 37.4 -35.6 39 36 A S G X4>S+ 0 0 3 -3,-1.8 3,-1.3 -4,-0.2 5,-1.0 0.414 83.2 93.9-114.3 0.1 -12.3 40.2 -37.6 40 37 A T G X<5S+ 0 0 98 -3,-0.9 3,-1.9 -4,-0.6 -2,-0.1 0.909 83.2 55.8 -58.8 -42.0 -15.5 38.4 -38.8 41 38 A S G 3 5S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.668 94.7 70.0 -66.1 -13.3 -17.5 39.7 -35.9 42 39 A C G < 5S- 0 0 26 -3,-1.3 53,-0.4 2,-0.1 -1,-0.3 0.558 113.7-114.5 -80.1 -8.4 -16.5 43.2 -36.9 43 40 A G T < 5 + 0 0 50 -3,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.646 56.2 162.7 85.4 14.3 -18.7 42.9 -40.0 44 41 A I < - 0 0 41 -5,-1.0 -1,-0.3 -4,-0.1 2,-0.2 -0.558 40.2-124.6 -69.2 121.2 -15.8 43.1 -42.5 45 42 A P - 0 0 17 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.499 16.3-126.8 -70.6 133.5 -17.3 41.8 -45.7 46 43 A D > - 0 0 61 -2,-0.2 3,-2.2 1,-0.2 9,-0.3 -0.718 9.6-151.1 -83.3 116.0 -15.4 38.8 -47.2 47 44 A F T 3 S+ 0 0 28 -2,-0.7 -1,-0.2 1,-0.3 11,-0.1 0.681 96.2 56.9 -60.7 -16.1 -14.5 39.7 -50.8 48 45 A R T 3 S+ 0 0 121 2,-0.1 -1,-0.3 18,-0.1 19,-0.1 0.501 90.8 90.8 -92.9 -4.8 -14.6 36.0 -51.6 49 46 A S X - 0 0 52 -3,-2.2 3,-1.0 17,-0.0 6,-0.4 -0.809 69.0-140.6-102.5 121.2 -18.1 35.5 -50.4 50 47 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.205 91.1 49.9 -62.4 168.6 -21.2 35.9 -52.6 51 48 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 2,-0.1 3,-0.1 0.540 88.3 109.0 78.3 -1.7 -24.1 37.6 -50.8 52 49 A T S <> S- 0 0 21 -3,-1.0 4,-1.8 1,-0.1 -1,-0.3 -0.907 74.4-133.8-107.0 138.7 -21.6 40.3 -49.9 53 50 A G H > S+ 0 0 47 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.895 106.1 55.4 -58.4 -38.5 -22.1 43.7 -51.6 54 51 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.929 103.9 52.0 -59.5 -49.8 -18.3 43.8 -52.3 55 52 A Y H > S+ 0 0 73 -6,-0.4 4,-2.2 -9,-0.3 -1,-0.2 0.934 112.8 45.2 -54.4 -49.4 -18.2 40.4 -54.0 56 53 A H H X S+ 0 0 68 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.839 110.8 52.5 -67.7 -31.8 -21.0 41.4 -56.4 57 54 A N H X S+ 0 0 69 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.912 111.4 47.7 -68.4 -40.4 -19.6 44.8 -57.1 58 55 A L H <>S+ 0 0 4 -4,-2.6 5,-2.2 2,-0.2 -2,-0.2 0.884 111.8 50.2 -65.8 -38.7 -16.2 43.2 -58.0 59 56 A A H ><5S+ 0 0 49 -4,-2.2 3,-1.9 -5,-0.2 -2,-0.2 0.925 107.7 52.7 -65.5 -43.4 -18.0 40.7 -60.2 60 57 A R H 3<5S+ 0 0 177 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 104.0 58.4 -60.1 -32.7 -19.9 43.5 -62.0 61 58 A L T 3<5S- 0 0 49 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.334 121.4-108.6 -80.4 6.7 -16.6 45.2 -62.7 62 59 A K T < 5 + 0 0 171 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.650 55.4 167.5 76.3 17.6 -15.4 42.0 -64.5 63 60 A L < - 0 0 17 -5,-2.2 -1,-0.3 1,-0.2 4,-0.0 -0.504 32.2-143.3 -61.9 127.2 -12.9 40.9 -61.9 64 61 A P S S- 0 0 81 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.841 74.3 -11.3 -63.0 -36.8 -12.1 37.3 -63.1 65 62 A Y S > S- 0 0 128 1,-0.1 3,-2.0 -7,-0.1 4,-0.3 -0.962 78.1 -97.4-160.7 152.9 -11.9 35.8 -59.6 66 63 A P G > S+ 0 0 40 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.853 116.4 50.5 -41.6 -57.3 -11.7 37.3 -56.1 67 64 A E G > S+ 0 0 45 1,-0.3 3,-1.3 2,-0.2 120,-0.3 0.530 88.1 81.7 -69.2 -1.7 -7.9 37.2 -55.5 68 65 A A G X S+ 0 0 1 -3,-2.0 3,-1.3 1,-0.3 -1,-0.3 0.698 79.5 71.1 -72.1 -15.7 -7.2 39.0 -58.8 69 66 A V G < S+ 0 0 2 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.716 101.6 43.7 -71.0 -18.5 -8.0 42.1 -56.7 70 67 A F G < S+ 0 0 4 -3,-1.3 117,-2.4 -4,-0.2 2,-0.5 -0.267 91.5 107.3-117.2 40.2 -4.7 41.4 -55.0 71 68 A D B <> -f 187 0B 43 -3,-1.3 4,-2.7 115,-0.2 5,-0.2 -0.986 60.3-149.2-121.8 123.0 -2.7 40.7 -58.2 72 69 A V H > S+ 0 0 26 115,-0.6 4,-2.6 -2,-0.5 5,-0.2 0.899 96.5 51.8 -58.3 -45.2 -0.2 43.2 -59.4 73 70 A D H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 113.7 43.9 -59.6 -44.6 -0.6 42.4 -63.1 74 71 A F H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 111.0 54.8 -66.5 -43.9 -4.4 42.7 -63.0 75 72 A F H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.930 108.2 48.7 -54.0 -48.9 -4.2 45.9 -60.9 76 73 A Q H < S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 113.3 47.7 -61.9 -33.5 -2.0 47.5 -63.6 77 74 A S H < S+ 0 0 90 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 137.2 0.0 -76.9 -31.0 -4.4 46.4 -66.3 78 75 A D < + 0 0 52 -4,-2.4 4,-0.4 -5,-0.1 -1,-0.3 -0.679 59.6 179.7-162.0 99.8 -7.4 47.7 -64.4 79 76 A P > + 0 0 12 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.591 63.8 90.0 -80.3 -9.5 -7.2 49.3 -61.0 80 77 A L H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 82.4 54.6 -57.4 -44.6 -10.9 50.0 -60.4 81 78 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.947 112.0 44.5 -55.8 -47.3 -11.7 46.6 -58.7 82 79 A F H > S+ 0 0 4 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.889 112.5 51.0 -63.4 -41.0 -9.0 47.3 -56.1 83 80 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 109.7 51.9 -62.4 -38.8 -10.0 50.9 -55.6 84 81 A T H X S+ 0 0 27 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.901 111.5 45.8 -63.1 -43.3 -13.6 49.6 -55.1 85 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.895 110.8 54.1 -66.6 -40.9 -12.4 47.1 -52.5 86 83 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.906 103.4 56.0 -60.3 -41.5 -10.3 49.8 -50.8 87 84 A K H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.1 38.3 -58.4 -42.4 -13.3 52.1 -50.5 88 85 A E H < S+ 0 0 72 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 123.9 38.1 -79.2 -34.6 -15.2 49.4 -48.6 89 86 A L H < S+ 0 0 20 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.417 78.2 137.7 -98.9 3.5 -12.4 48.0 -46.5 90 87 A Y >< - 0 0 22 -4,-1.6 3,-1.5 -5,-0.2 4,-0.1 -0.205 65.3-100.1 -54.2 132.3 -10.5 51.2 -45.7 91 88 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 -0.193 109.5 45.3 -51.8 141.5 -9.3 51.2 -42.1 92 89 A G T 3 S+ 0 0 42 29,-0.3 -2,-0.1 2,-0.2 30,-0.0 0.218 87.1 92.0 105.2 -13.0 -11.6 53.4 -39.9 93 90 A N S < S+ 0 0 91 -3,-1.5 2,-0.3 -4,-0.1 -3,-0.1 0.566 89.3 40.3 -88.6 -8.9 -14.8 51.9 -41.4 94 91 A F S S- 0 0 36 27,-0.1 -2,-0.2 -4,-0.1 -51,-0.1 -0.808 74.9-125.9-132.8 172.0 -15.0 49.2 -38.7 95 92 A R - 0 0 159 -53,-0.4 28,-0.1 -2,-0.3 32,-0.0 -0.939 35.2 -95.4-123.0 145.5 -14.5 48.8 -35.0 96 93 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -57,-0.1 -0.147 38.3-123.9 -57.3 149.0 -12.3 46.3 -33.1 97 94 A S > - 0 0 6 -59,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.333 29.6 -98.8 -86.9 173.1 -13.7 43.0 -31.8 98 95 A K H > S+ 0 0 4 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.885 126.7 54.0 -59.1 -38.0 -13.7 41.7 -28.2 99 96 A F H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 103.3 54.4 -65.7 -39.9 -10.7 39.6 -29.3 100 97 A H H > S+ 0 0 0 -62,-0.3 4,-1.2 1,-0.2 3,-0.3 0.909 108.8 49.8 -59.9 -38.4 -8.8 42.6 -30.6 101 98 A Y H X S+ 0 0 52 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.781 100.4 63.8 -70.7 -24.8 -9.3 44.2 -27.2 102 99 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 -1,-0.2 0.886 100.2 53.4 -64.0 -37.0 -8.0 41.0 -25.5 103 100 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.913 107.9 50.0 -62.7 -41.8 -4.7 41.7 -27.2 104 101 A K H X S+ 0 0 49 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.899 109.3 51.9 -63.0 -41.6 -4.7 45.2 -25.7 105 102 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.929 108.6 49.6 -60.8 -47.4 -5.4 43.7 -22.3 106 103 A F H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 6,-0.6 0.865 110.2 52.4 -60.0 -36.2 -2.5 41.3 -22.6 107 104 A Q H ><5S+ 0 0 17 -4,-1.9 3,-1.6 3,-0.2 -1,-0.2 0.934 109.1 48.7 -64.4 -46.0 -0.4 44.3 -23.6 108 105 A D H 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.5 49.4 -60.9 -38.6 -1.5 46.1 -20.5 109 106 A K T 3<5S- 0 0 68 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.322 113.4-124.7 -82.2 7.5 -0.7 43.0 -18.4 110 107 A D T < 5S+ 0 0 110 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.813 80.6 116.1 52.2 36.9 2.7 43.0 -20.1 111 108 A V < + 0 0 16 -5,-3.1 -81,-2.6 -6,-0.1 2,-0.6 0.165 43.1 101.9-116.6 16.0 2.2 39.4 -21.2 112 109 A L E +a 30 0A 3 -6,-0.6 -81,-0.2 -83,-0.2 3,-0.1 -0.902 36.9 171.3-105.3 115.3 2.1 40.2 -25.0 113 110 A K E - 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