==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-04 1S5P . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ZHAO,X.CHAI,R.MARMORSTEIN . 233 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 1 0.4 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 . 20 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 1 1 0 0 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 1 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 . 2 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 40 A K 0 0 194 0, 0.0 2,-0.1 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 82.2 53.3 2.5 13.3 2 41 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 160,-0.1 -0.351 360.0-114.7 -76.0 154.0 57.1 1.5 13.4 3 42 A R - 0 0 92 158,-0.2 160,-2.2 -2,-0.1 161,-2.1 -0.780 38.4-162.0 -86.2 127.3 58.6 -0.7 16.1 4 43 A V E -ab 85 164A 5 80,-3.2 82,-1.9 -2,-0.5 2,-0.5 -0.952 15.8-172.8-121.4 130.6 61.1 1.5 18.0 5 44 A L E -ab 86 165A 3 159,-2.5 161,-2.6 -2,-0.5 2,-0.4 -0.980 9.2-166.5-120.0 122.1 63.9 0.4 20.3 6 45 A V E -ab 87 166A 0 80,-2.8 82,-3.4 -2,-0.5 2,-0.5 -0.916 5.0-166.4-111.6 134.9 65.7 3.0 22.3 7 46 A L E -ab 88 167A 3 159,-3.1 161,-3.5 -2,-0.4 2,-0.4 -0.982 11.1-165.1-118.9 119.4 69.1 2.5 24.1 8 47 A T E -ab 89 168A 0 80,-2.4 82,-2.7 -2,-0.5 83,-0.4 -0.847 2.9-165.6-109.0 146.4 70.1 5.1 26.6 9 48 A G > - 0 0 1 159,-2.3 3,-1.5 -2,-0.4 4,-0.4 -0.629 44.9 -81.9-116.0 177.1 73.5 5.6 28.2 10 49 A A T >> S+ 0 0 37 1,-0.3 3,-1.5 -2,-0.2 4,-0.5 0.752 114.2 76.8 -51.4 -30.7 74.8 7.6 31.2 11 50 A G H >> S+ 0 0 31 158,-1.4 3,-1.0 1,-0.3 4,-0.5 0.800 83.7 62.3 -53.4 -35.5 74.8 10.9 29.2 12 51 A I H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 157,-0.4 59,-0.2 0.756 104.7 47.3 -66.4 -24.3 71.1 11.4 29.3 13 52 A S H X4>S+ 0 0 2 -3,-1.5 5,-1.8 -4,-0.4 3,-0.9 0.514 86.9 91.2 -95.3 -3.1 71.1 11.7 33.1 14 53 A A H X<5S+ 0 0 45 -3,-1.0 3,-1.8 -4,-0.5 -1,-0.2 0.915 85.6 49.4 -55.9 -49.1 74.0 14.1 33.2 15 54 A E T 3<5S+ 0 0 88 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.670 102.7 64.4 -67.2 -15.1 71.8 17.2 33.1 16 55 A S T < 5S- 0 0 8 -3,-0.9 50,-0.5 2,-0.2 -1,-0.3 0.507 125.4 -99.3 -85.2 -4.4 69.7 15.7 35.9 17 56 A G T < 5S+ 0 0 45 -3,-1.8 2,-1.1 -4,-0.3 -3,-0.2 0.440 84.0 128.5 103.0 0.7 72.7 15.9 38.2 18 57 A I < - 0 0 46 -5,-1.8 -1,-0.2 -8,-0.1 -2,-0.2 -0.768 62.5-127.5 -94.1 97.5 73.9 12.3 38.0 19 58 A R - 0 0 138 -2,-1.1 -5,-0.1 1,-0.1 -4,-0.0 -0.162 30.3-103.4 -47.8 122.2 77.6 12.7 37.2 20 59 A T - 0 0 79 1,-0.2 2,-2.7 -9,-0.1 9,-0.2 -0.228 26.3-122.7 -52.6 124.0 78.5 10.6 34.1 21 60 A F - 0 0 39 -3,-0.1 -1,-0.2 7,-0.1 7,-0.1 -0.395 38.6-156.5 -70.5 72.1 80.3 7.4 35.0 22 61 A R + 0 0 32 -2,-2.7 11,-0.0 5,-0.3 -3,-0.0 0.113 26.9 172.0 -44.6 163.4 83.4 8.2 32.9 23 62 A A S S+ 0 0 31 3,-0.1 -1,-0.1 10,-0.0 10,-0.1 0.367 73.7 66.2-147.3 -31.3 85.5 5.3 31.6 24 63 A A S S+ 0 0 95 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.755 112.5 41.4 -68.0 -23.0 87.9 7.0 29.2 25 64 A D S S- 0 0 97 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.655 104.0-139.3 -94.3 -21.9 89.1 8.7 32.4 26 65 A G + 0 0 14 1,-0.2 7,-1.6 6,-0.1 2,-0.5 0.492 67.6 111.6 75.2 2.3 88.9 5.5 34.4 27 66 A L E -F 32 0B 59 5,-0.2 2,-0.6 6,-0.1 -5,-0.3 -0.943 41.9-179.5-118.9 121.6 87.5 7.5 37.3 28 67 A W E > S-F 31 0B 18 3,-3.1 3,-0.6 -2,-0.5 -7,-0.1 -0.929 85.6 -19.5-116.8 103.1 83.9 7.2 38.6 29 68 A E T 3 S- 0 0 27 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.971 128.4 -52.5 60.9 53.4 83.4 9.6 41.5 30 69 A E T 3 S+ 0 0 154 1,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.596 119.3 115.0 58.5 13.5 87.2 9.8 42.0 31 70 A H E < S-F 28 0B 64 -3,-0.6 -3,-3.1 21,-0.0 2,-0.3 -0.873 73.7-110.7-115.5 147.6 87.3 6.0 42.2 32 71 A R E >> -F 27 0B 127 -2,-0.3 4,-1.7 -5,-0.2 3,-1.5 -0.575 21.9-137.8 -73.5 130.9 89.0 3.5 39.8 33 72 A V H 3> S+ 0 0 18 -7,-1.6 4,-2.6 -2,-0.3 112,-0.2 0.884 106.4 57.0 -57.9 -37.2 86.3 1.6 37.9 34 73 A E H 34 S+ 0 0 91 -8,-0.2 7,-0.6 1,-0.2 -1,-0.3 0.736 109.4 47.8 -65.3 -21.0 88.3 -1.6 38.4 35 74 A D H <4 S+ 0 0 53 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.750 126.8 21.7 -91.3 -28.0 88.1 -0.9 42.2 36 75 A V H < S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.434 126.8 43.8-120.1 -0.6 84.3 -0.1 42.4 37 76 A A S < S+ 0 0 0 -4,-2.6 108,-2.6 -5,-0.3 -3,-0.1 -0.063 94.9 75.3-137.6 36.8 82.8 -1.8 39.3 38 77 A T S > S- 0 0 18 106,-0.2 4,-1.7 -4,-0.2 5,-0.1 -0.982 81.1-118.6-141.6 149.7 84.5 -5.3 39.0 39 78 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.846 115.8 56.2 -59.8 -26.5 83.8 -8.4 41.0 40 79 A E H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 102.0 52.2 -67.8 -50.1 87.5 -8.2 42.0 41 80 A G H > S+ 0 0 2 -7,-0.6 4,-1.9 1,-0.2 8,-0.2 0.875 112.5 48.9 -53.9 -38.5 87.3 -4.7 43.5 42 81 A F H < S+ 0 0 20 -4,-1.7 3,-0.2 2,-0.2 -2,-0.2 0.979 111.8 43.6 -66.0 -60.9 84.4 -5.9 45.6 43 82 A D H < S+ 0 0 116 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 113.1 56.4 -54.9 -34.2 85.9 -9.1 47.0 44 83 A R H < S- 0 0 158 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.925 134.1 -1.7 -64.2 -48.4 89.1 -7.1 47.6 45 84 A D X + 0 0 70 -4,-1.9 4,-2.1 -3,-0.2 -1,-0.2 -0.572 68.7 169.0-147.3 76.0 87.4 -4.4 49.8 46 85 A P H > S+ 0 0 60 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.884 77.4 59.2 -57.7 -41.5 83.6 -5.0 50.0 47 86 A E H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.926 108.7 44.2 -55.5 -46.8 83.1 -2.4 52.8 48 87 A L H > S+ 0 0 65 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.943 115.5 46.7 -64.1 -48.7 84.5 0.4 50.6 49 88 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.923 112.0 51.0 -59.8 -44.7 82.5 -0.7 47.5 50 89 A Q H X S+ 0 0 24 -4,-3.4 4,-2.3 1,-0.2 79,-0.3 0.927 111.6 48.7 -57.9 -44.2 79.4 -1.1 49.6 51 90 A A H X S+ 0 0 52 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.897 107.7 56.5 -61.6 -41.1 80.1 2.4 50.9 52 91 A F H X S+ 0 0 7 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.927 113.1 37.9 -58.1 -48.8 80.6 3.7 47.3 53 92 A Y H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.816 108.9 62.2 -74.9 -29.0 77.2 2.5 46.1 54 93 A N H X S+ 0 0 16 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.930 108.1 45.9 -59.6 -40.9 75.5 3.5 49.3 55 94 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.848 112.2 49.9 -68.8 -35.5 76.7 7.0 48.4 56 95 A R H X S+ 0 0 28 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.908 113.0 46.1 -68.2 -42.6 75.5 6.6 44.8 57 96 A R H X S+ 0 0 0 -4,-3.2 4,-0.8 2,-0.2 -2,-0.2 0.878 112.5 51.8 -66.7 -39.8 72.0 5.4 45.9 58 97 A R H >< S+ 0 0 117 -4,-2.1 3,-1.3 -5,-0.3 -2,-0.2 0.965 111.2 45.4 -60.7 -55.9 71.8 8.2 48.5 59 98 A Q H >< S+ 0 0 56 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.803 103.8 65.2 -59.4 -32.3 72.6 10.9 45.9 60 99 A L H 3< S+ 0 0 5 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.798 103.4 47.6 -62.4 -27.9 70.2 9.3 43.5 61 100 A Q T << S+ 0 0 89 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.086 84.3 119.0-104.9 24.6 67.3 10.2 45.8 62 101 A Q S X S- 0 0 88 -3,-1.4 3,-2.2 1,-0.1 -3,-0.0 -0.604 73.9-111.4 -90.5 152.8 68.1 13.8 46.7 63 102 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.822 113.4 58.2 -45.8 -47.0 65.7 16.7 45.9 64 103 A E T 3 S+ 0 0 127 1,-0.1 2,-0.7 -47,-0.0 -3,-0.0 0.442 90.5 87.6 -70.4 1.3 67.9 18.3 43.2 65 104 A I < + 0 0 13 -3,-2.2 -48,-0.1 -48,-0.1 -49,-0.1 -0.890 53.7 136.2-107.9 112.8 67.8 15.0 41.2 66 105 A Q - 0 0 117 -2,-0.7 29,-0.1 -50,-0.5 -5,-0.0 -0.993 57.6 -80.6-149.6 156.1 64.9 14.7 38.8 67 106 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 -54,-0.1 -0.232 47.1-146.0 -56.7 144.2 64.2 13.5 35.2 68 107 A N > - 0 0 20 -56,-0.2 4,-2.2 1,-0.0 3,-0.3 -0.371 36.0 -77.8-101.6-174.7 65.0 16.1 32.6 69 108 A A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.776 127.7 55.1 -54.7 -34.0 63.4 16.9 29.2 70 109 A A H > S+ 0 0 0 2,-0.2 4,-1.5 -58,-0.2 -1,-0.2 0.927 108.1 47.5 -69.0 -44.3 65.0 13.9 27.5 71 110 A H H > S+ 0 0 0 -3,-0.3 4,-1.3 -59,-0.2 3,-0.4 0.951 112.8 49.8 -60.1 -48.8 63.6 11.4 30.0 72 111 A L H >X S+ 0 0 80 -4,-2.2 4,-2.2 1,-0.2 3,-0.5 0.900 106.4 54.1 -59.0 -44.4 60.1 12.9 29.7 73 112 A A H 3X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.843 105.7 54.7 -60.0 -32.4 60.1 12.9 25.9 74 113 A L H 3X S+ 0 0 2 -4,-1.5 4,-2.0 -3,-0.4 -1,-0.3 0.828 106.1 51.0 -71.4 -29.7 60.9 9.2 26.1 75 114 A A H < S+ 0 0 17 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.587 79.7 177.8 -90.7 -12.1 53.8 3.7 20.6 82 121 A G G >< S+ 0 0 36 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 -0.179 72.7 7.5 48.5-124.2 52.6 1.4 23.4 83 122 A D G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -80,-0.0 -2,-0.1 0.513 122.9 67.6 -67.2 -6.4 53.7 -2.2 22.6 84 123 A R G < S+ 0 0 44 -3,-2.5 -80,-3.2 -6,-0.2 2,-0.4 0.351 92.3 79.7 -94.2 6.7 55.7 -1.2 19.6 85 124 A F E < +a 4 0A 11 -3,-1.6 2,-0.4 -82,-0.2 -80,-0.2 -0.899 52.4 178.0-117.8 142.4 58.2 0.6 21.9 86 125 A L E -a 5 0A 17 -82,-1.9 -80,-2.8 -2,-0.4 2,-0.6 -0.978 12.1-157.7-143.8 128.1 61.0 -0.8 24.0 87 126 A L E -a 6 0A 3 16,-0.4 18,-2.6 -2,-0.4 2,-0.4 -0.937 10.3-176.9-110.8 122.4 63.4 1.2 26.2 88 127 A V E -ac 7 105A 2 -82,-3.4 -80,-2.4 -2,-0.6 2,-0.4 -0.964 8.0-171.7-115.6 131.4 66.8 -0.4 27.1 89 128 A T E -ac 8 106A 0 16,-2.6 18,-1.3 -2,-0.4 19,-0.6 -0.975 31.1-159.9-129.7 145.1 69.1 1.5 29.4 90 129 A Q S S+ 0 0 19 -82,-2.7 2,-0.2 -2,-0.4 -81,-0.2 0.454 70.2 107.3 -90.9 -5.2 72.7 1.0 30.5 91 130 A N - 0 0 8 -83,-0.4 17,-0.2 1,-0.1 -2,-0.1 -0.457 58.6-158.7 -80.9 146.0 71.8 3.3 33.4 92 131 A I + 0 0 20 -2,-0.2 19,-3.0 18,-0.1 20,-0.4 0.388 65.6 97.3-100.2 2.1 71.3 2.2 37.0 93 132 A D S S- 0 0 10 17,-0.2 3,-0.2 18,-0.1 4,-0.1 -0.300 74.0-131.0 -83.3 173.1 69.3 5.3 38.0 94 133 A N S > S+ 0 0 37 1,-0.1 4,-2.0 -34,-0.1 5,-0.2 -0.005 71.1 114.3-115.1 30.1 65.5 5.4 38.1 95 134 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.837 74.8 53.9 -69.8 -32.7 65.0 8.5 36.1 96 135 A H H >>S+ 0 0 0 -3,-0.2 5,-2.2 1,-0.2 4,-0.8 0.917 110.8 47.7 -66.7 -41.2 63.3 6.8 33.2 97 136 A E H >45S+ 0 0 64 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.886 111.4 49.4 -65.4 -39.4 60.8 5.2 35.7 98 137 A R H 3<5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 105.8 58.4 -69.4 -30.1 60.2 8.6 37.4 99 138 A A H 3<5S- 0 0 15 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.703 129.1 -92.8 -71.5 -21.3 59.6 10.2 34.0 100 139 A G T <<5S+ 0 0 38 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.354 78.7 136.4 125.9 -6.5 56.8 7.8 33.2 101 140 A N < - 0 0 4 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.3 -0.431 30.7-167.2 -73.9 149.2 58.4 4.9 31.4 102 141 A T + 0 0 90 1,-0.2 -15,-0.2 -2,-0.1 3,-0.1 -0.940 63.5 29.9-134.2 155.2 57.5 1.3 32.2 103 142 A N S S+ 0 0 99 -2,-0.3 -16,-0.4 1,-0.2 2,-0.4 0.849 75.9 173.3 64.7 35.5 59.0 -2.1 31.4 104 143 A V - 0 0 19 -3,-0.2 2,-0.8 -18,-0.1 -1,-0.2 -0.608 28.7-135.9 -76.3 129.3 62.4 -0.4 31.1 105 144 A I E -c 88 0A 14 -18,-2.6 -16,-2.6 -2,-0.4 2,-1.3 -0.800 12.7-160.7 -91.7 111.1 65.1 -3.0 30.6 106 145 A H E > -c 89 0A 10 -2,-0.8 3,-1.8 -18,-0.2 44,-0.2 -0.701 10.8-179.6 -90.6 87.7 68.1 -2.3 32.9 107 146 A M T 3 S+ 0 0 0 -18,-1.3 43,-2.6 -2,-1.3 -1,-0.2 0.711 83.4 41.1 -62.3 -21.4 70.8 -4.2 31.2 108 147 A H T 3 S- 0 0 1 -19,-0.6 35,-2.4 1,-0.4 -1,-0.3 0.139 117.7-109.9-111.9 17.8 73.3 -3.1 33.8 109 148 A G E < -G 142 0C 0 -3,-1.8 -1,-0.4 33,-0.3 2,-0.4 -0.341 34.8 -74.5 89.6-172.0 71.1 -3.5 36.8 110 149 A E E > - 0 0 42 31,-2.1 3,-1.2 1,-0.1 31,-0.5 -0.997 14.9-145.1-137.7 133.1 69.5 -0.9 39.1 111 150 A L E 3 S+ 0 0 8 -19,-3.0 -18,-0.1 -2,-0.4 -54,-0.1 0.772 101.5 59.3 -64.3 -28.1 71.0 1.2 41.9 112 151 A L E 3 S+ 0 0 26 -20,-0.4 13,-2.0 29,-0.1 2,-0.3 -0.009 101.8 65.6 -92.9 29.1 67.7 0.9 43.9 113 152 A K E < - H 0 124C 55 -3,-1.2 28,-2.0 11,-0.3 2,-0.3 -0.965 58.9-169.9-144.2 159.5 67.9 -2.9 44.1 114 153 A V E -GH 140 123C 0 9,-2.0 9,-1.9 -2,-0.3 2,-0.3 -0.906 5.5-155.1-144.0 171.0 70.2 -5.5 45.6 115 154 A R E -GH 139 122C 44 24,-2.5 24,-3.2 -2,-0.3 2,-0.4 -0.982 27.0-103.6-148.8 153.9 70.9 -9.2 45.6 116 155 A C E > -G 138 0C 5 5,-1.0 4,-1.7 -2,-0.3 22,-0.3 -0.672 23.8-129.2 -86.5 133.4 72.4 -11.8 47.9 117 156 A S T 4 S+ 0 0 53 20,-0.7 -1,-0.1 -2,-0.4 21,-0.1 0.513 107.1 37.3 -55.3 -4.2 75.9 -13.1 47.2 118 157 A Q T 4 S+ 0 0 167 19,-0.4 -1,-0.2 3,-0.1 20,-0.1 0.772 126.9 24.0-116.2 -49.8 74.4 -16.6 47.5 119 158 A S T 4 S- 0 0 65 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.809 81.0-144.7 -89.2 -33.4 70.9 -16.9 46.1 120 159 A G < + 0 0 30 -4,-1.7 -3,-0.1 1,-0.3 -1,-0.0 0.220 45.1 152.5 86.7 -16.1 71.2 -14.0 43.7 121 160 A Q - 0 0 129 -6,-0.1 -5,-1.0 1,-0.1 2,-0.4 -0.026 39.1-129.0 -45.0 151.3 67.5 -13.2 44.4 122 161 A V E +H 115 0C 66 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.889 28.9 171.2-115.8 140.9 66.5 -9.6 44.0 123 162 A L E -H 114 0C 70 -9,-1.9 -9,-2.0 -2,-0.4 18,-0.1 -0.996 37.9-101.0-144.6 144.5 64.7 -7.2 46.3 124 163 A D E +H 113 0C 129 -2,-0.3 -11,-0.3 -11,-0.2 2,-0.2 -0.181 42.0 175.1 -59.5 157.9 64.1 -3.5 46.2 125 164 A W + 0 0 54 -13,-2.0 4,-0.1 1,-0.1 -2,-0.0 -0.771 20.1 168.2-171.1 120.6 66.3 -1.4 48.4 126 165 A T + 0 0 85 -2,-0.2 -65,-0.1 2,-0.1 3,-0.1 0.692 61.7 64.1-110.6 -26.0 66.5 2.4 48.8 127 166 A G S S- 0 0 37 1,-0.2 2,-0.1 -15,-0.1 -70,-0.1 -0.063 96.2 -62.6 -88.5-167.8 68.7 2.9 51.9 128 167 A D - 0 0 74 -71,-0.1 2,-0.7 1,-0.1 -1,-0.2 -0.368 42.9-127.7 -74.4 155.4 72.3 2.1 52.8 129 168 A V - 0 0 5 -79,-0.3 -75,-0.1 -3,-0.1 4,-0.1 -0.935 31.8-165.9-106.6 112.6 73.5 -1.5 52.8 130 169 A T - 0 0 60 -2,-0.7 3,-0.4 2,-0.1 -83,-0.0 -0.602 38.1-100.3 -98.7 160.9 75.2 -2.1 56.2 131 170 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.517 114.8 70.3 -55.8 -1.9 77.4 -5.0 57.3 132 171 A E S S+ 0 0 142 2,-0.0 2,-0.3 5,-0.0 -2,-0.1 -0.371 74.9 97.6-116.4 55.1 74.3 -6.4 59.0 133 172 A D + 0 0 39 -3,-0.4 5,-0.3 -2,-0.1 2,-0.2 -0.999 40.2 165.5-142.6 139.1 72.0 -7.5 56.2 134 173 A K 0 0 121 -2,-0.3 4,-0.1 3,-0.2 -18,-0.0 -0.796 360.0 360.0-141.0-177.7 71.4 -10.9 54.6 135 174 A C 0 0 105 -2,-0.2 -19,-0.1 2,-0.1 3,-0.0 0.311 360.0 360.0 -51.3 360.0 69.1 -13.0 52.3 136 ! 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 0.0 137 182 A P 0 0 66 0, 0.0 -20,-0.7 0, 0.0 -19,-0.4 0.000 360.0 360.0 360.0 155.5 75.2 -11.3 52.3 138 183 A L E +G 116 0C 13 -5,-0.3 -22,-0.2 -22,-0.3 -5,-0.1 -0.992 360.0 177.0-134.7 137.8 74.0 -8.6 50.0 139 184 A R E -G 115 0C 16 -24,-3.2 -24,-2.5 -2,-0.4 -89,-0.0 -0.933 43.5 -79.4-133.6 157.0 75.5 -6.7 47.1 140 185 A P E -G 114 0C 0 0, 0.0 2,-1.7 0, 0.0 -26,-0.3 -0.234 35.9-126.9 -55.0 139.4 74.3 -4.0 44.7 141 186 A H E S+ 0 0 25 -28,-2.0 -31,-2.1 -31,-0.5 2,-0.4 -0.383 70.7 125.6 -85.8 57.4 72.2 -5.4 41.8 142 187 A V E -G 109 0C 2 -2,-1.7 2,-0.5 -33,-0.3 -33,-0.3 -0.974 65.8-122.0-120.2 128.7 74.5 -3.6 39.4 143 188 A V - 0 0 9 -35,-2.4 2,-0.2 -2,-0.4 -2,-0.1 -0.572 32.2-156.8 -72.0 118.6 76.3 -5.4 36.5 144 189 A W > - 0 0 1 -2,-0.5 3,-2.2 1,-0.1 89,-0.3 -0.528 32.8 -80.6 -93.0 164.3 80.0 -4.9 37.0 145 190 A F T 3 S+ 0 0 34 -108,-2.6 89,-0.2 1,-0.3 -1,-0.1 -0.463 121.9 32.3 -63.5 127.6 82.6 -5.2 34.2 146 191 A G T 3 S+ 0 0 56 87,-2.3 -1,-0.3 1,-0.5 2,-0.3 0.292 102.6 99.0 105.8 -7.8 83.3 -8.8 33.7 147 192 A E S < S- 0 0 43 -3,-2.2 86,-2.9 86,-0.2 -1,-0.5 -0.729 81.4 -95.2-109.1 163.2 79.8 -9.9 34.6 148 193 A M - 0 0 111 -2,-0.3 84,-0.2 84,-0.2 -4,-0.1 -0.616 36.8-120.8 -83.8 128.2 76.9 -10.7 32.2 149 194 A P - 0 0 12 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.142 30.2-112.1 -60.0 159.1 74.3 -8.0 31.3 150 195 A L S S+ 0 0 66 -43,-2.6 -41,-0.1 1,-0.2 -7,-0.0 -0.633 87.6 15.1 -96.7 153.2 70.6 -8.5 32.1 151 196 A G S > S+ 0 0 36 -2,-0.2 4,-2.6 1,-0.1 3,-0.2 0.619 71.2 145.4 64.8 16.9 67.8 -9.0 29.6 152 197 A M H > + 0 0 14 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.838 67.7 56.4 -55.1 -36.0 70.0 -9.8 26.6 153 198 A D H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.952 112.2 40.1 -62.3 -49.5 67.6 -12.3 25.2 154 199 A E H > S+ 0 0 87 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 115.2 53.7 -66.7 -37.7 64.7 -9.8 25.0 155 200 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.970 108.9 47.1 -61.4 -54.6 67.1 -7.0 23.9 156 201 A Y H X S+ 0 0 36 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.831 111.3 53.0 -58.4 -31.1 68.5 -9.1 20.9 157 202 A M H X S+ 0 0 127 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.927 109.5 47.3 -68.9 -43.4 64.9 -10.0 20.0 158 203 A A H X S+ 0 0 16 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.838 108.8 56.6 -66.2 -32.0 63.8 -6.4 19.9 159 204 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 106.3 48.1 -67.6 -36.3 66.9 -5.5 17.9 160 205 A S H < S+ 0 0 47 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.761 118.3 43.3 -74.8 -23.0 66.0 -8.0 15.1 161 206 A M H < S+ 0 0 84 -4,-1.2 -158,-0.2 -5,-0.1 -2,-0.2 0.655 87.2 114.1 -94.5 -21.6 62.5 -6.6 15.1 162 207 A A < - 0 0 6 -4,-1.9 -158,-0.2 1,-0.2 3,-0.2 -0.242 41.6-172.0 -60.5 136.8 63.1 -2.8 15.3 163 208 A D S S+ 0 0 78 -160,-2.2 27,-3.3 1,-0.3 2,-0.4 0.787 86.9 26.4 -89.1 -37.7 62.2 -0.5 12.4 164 209 A I E -bd 4 190A 21 -161,-2.1 -159,-2.5 25,-0.2 2,-0.5 -0.993 68.2-167.9-131.5 126.8 64.1 2.3 14.2 165 210 A F E -bd 5 191A 2 25,-2.4 27,-3.0 -2,-0.4 2,-0.5 -0.970 8.4-169.4-115.5 121.4 66.9 1.9 16.7 166 211 A I E -bd 6 192A 3 -161,-2.6 -159,-3.1 -2,-0.5 2,-0.6 -0.955 5.9-165.1-117.0 118.9 67.8 5.1 18.6 167 212 A A E -bd 7 193A 1 25,-2.9 27,-2.5 -2,-0.5 2,-0.5 -0.907 12.1-162.2-104.3 119.2 71.0 5.2 20.7 168 213 A I E -bd 8 194A 3 -161,-3.5 -159,-2.3 -2,-0.6 -156,-0.3 -0.895 60.4 -30.0-110.1 122.5 71.0 8.1 23.1 169 214 A G S S+ 0 0 10 25,-3.4 -158,-1.4 -2,-0.5 2,-0.4 0.873 87.9 148.4 42.0 54.0 74.1 9.5 24.8 170 215 A T - 0 0 3 -3,-0.2 2,-0.5 -161,-0.2 -1,-0.2 -0.950 47.3-128.6-116.2 136.9 75.8 6.2 24.9 171 216 A S > - 0 0 57 -2,-0.4 2,-2.5 1,-0.1 3,-1.4 -0.746 17.9-128.9 -84.8 129.2 79.6 6.1 24.6 172 217 A G T 3 S+ 0 0 9 27,-1.3 -1,-0.1 -2,-0.5 28,-0.1 -0.008 95.5 82.4 -68.4 40.1 80.7 3.7 21.9 173 218 A H T 3 + 0 0 43 -2,-2.5 63,-2.2 1,-0.1 2,-0.7 0.674 67.4 74.3-116.9 -26.7 82.9 2.2 24.6 174 219 A V E <> S-I 235 0D 11 -3,-1.4 4,-2.5 61,-0.2 61,-0.2 -0.827 77.9-125.9-100.0 115.0 80.9 -0.2 26.7 175 220 A Y E 4 S+I 234 0D 66 59,-2.6 59,-2.5 -2,-0.7 56,-0.0 -0.659 79.6 24.5 -98.5 159.0 80.0 -3.5 25.1 176 221 A P T >> S+ 0 0 4 0, 0.0 3,-2.6 0, 0.0 4,-0.6 -0.992 125.4 53.2 -73.6 -15.1 77.9 -5.4 24.3 177 222 A A G >4 S+ 0 0 1 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.883 104.4 57.3 -45.8 -47.5 75.6 -2.3 24.4 178 223 A A G 3< S+ 0 0 15 -4,-2.5 -1,-0.3 1,-0.3 4,-0.3 0.665 103.0 56.6 -60.9 -16.0 77.9 -0.5 22.0 179 224 A G G <> S+ 0 0 22 -3,-2.6 4,-1.6 -5,-0.2 3,-0.4 0.565 80.9 88.3 -93.0 -8.5 77.5 -3.3 19.5 180 225 A F H S+ 0 0 12 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.917 104.7 50.3 -53.6 -43.4 73.7 -0.5 16.6 182 227 A H H > S+ 0 0 82 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.919 110.2 49.1 -61.4 -45.1 75.5 -3.0 14.4 183 228 A E H X S+ 0 0 35 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.940 112.6 47.6 -59.4 -48.9 72.9 -5.7 15.1 184 229 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-0.9 0.937 112.4 49.2 -57.5 -49.3 70.0 -3.4 14.4 185 230 A K H ><5S+ 0 0 86 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.848 105.6 59.0 -59.9 -34.3 71.6 -2.3 11.2 186 231 A L H 3<5S+ 0 0 115 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.803 106.3 47.9 -66.3 -29.3 72.1 -5.9 10.3 187 232 A H T <<5S- 0 0 92 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.114 125.5 -98.5 -98.8 20.2 68.4 -6.5 10.5 188 233 A G T < 5 + 0 0 68 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.575 68.6 152.6 80.0 11.7 67.5 -3.5 8.4 189 234 A A < - 0 0 7 -5,-2.2 2,-0.6 -30,-0.2 -25,-0.2 -0.387 50.9-116.2 -75.4 153.7 66.6 -0.9 11.1 190 235 A H E -d 164 0A 77 -27,-3.3 -25,-2.4 -2,-0.1 2,-0.4 -0.810 38.5-144.2 -85.7 122.1 67.0 2.8 10.5 191 236 A T E -d 165 0A 0 -2,-0.6 14,-2.0 -27,-0.2 13,-0.8 -0.796 19.0-174.8-100.5 135.0 69.6 3.8 13.0 192 237 A V E -de 166 205A 0 -27,-3.0 -25,-2.9 -2,-0.4 2,-0.5 -0.968 8.9-161.5-128.4 138.0 69.7 7.1 14.9 193 238 A E E -de 167 206A 2 12,-2.4 14,-2.4 -2,-0.4 2,-0.6 -0.980 5.9-177.0-122.6 124.6 72.3 8.6 17.3 194 239 A L E +de 168 207A 5 -27,-2.5 -25,-3.4 -2,-0.5 2,-0.3 -0.958 28.1 152.3-118.6 107.9 71.4 11.4 19.7 195 240 A N E - e 0 208A 20 12,-2.4 14,-1.9 -2,-0.6 -2,-0.0 -0.921 57.9-131.1-139.4 162.3 74.6 12.4 21.6 196 241 A L S S+ 0 0 108 -2,-0.3 -1,-0.1 12,-0.3 12,-0.1 0.907 103.5 14.6 -73.1 -41.1 76.3 15.3 23.3 197 242 A E S S- 0 0 136 1,-0.1 -1,-0.2 11,-0.1 10,-0.1 -0.931 82.0-112.4-134.6 156.4 79.4 14.4 21.2 198 243 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.936 71.3 107.1 -45.5 -80.7 80.2 12.2 18.1 199 244 A S 0 0 82 -28,-0.1 -27,-1.3 -4,-0.0 -2,-0.1 0.263 360.0 360.0 -17.6 85.6 82.3 9.2 18.9 200 245 A Q 0 0 59 -29,-0.2 3,-0.2 -28,-0.1 -29,-0.1 -0.982 360.0 360.0-154.3 360.0 79.7 6.3 18.6 201 ! 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 0.0 202 249 A E 0 0 116 0, 0.0 2,-0.5 0, 0.0 -11,-0.2 0.000 360.0 360.0 360.0 12.4 77.1 3.0 11.6 203 250 A F - 0 0 16 -3,-0.2 -11,-0.2 1,-0.1 3,-0.1 -0.767 360.0-164.1 -91.4 128.2 74.3 5.5 12.4 204 251 A A S S+ 0 0 60 -13,-0.8 2,-0.4 -2,-0.5 -12,-0.2 0.791 80.7 29.1 -77.6 -31.6 72.3 6.7 9.4 205 252 A E E S+e 192 0A 40 -14,-2.0 -12,-2.4 2,-0.0 2,-0.3 -0.995 74.0 173.1-132.1 136.0 70.9 9.8 11.2 206 253 A K E -e 193 0A 86 -2,-0.4 2,-0.3 -14,-0.2 -12,-0.2 -0.998 14.0-176.7-149.6 145.2 72.6 11.7 14.0 207 254 A Y E -e 194 0A 61 -14,-2.4 -12,-2.4 -2,-0.3 2,-0.4 -0.994 11.9-155.8-137.9 143.0 72.2 14.9 16.1 208 255 A Y E +e 195 0A 92 -2,-0.3 -12,-0.3 -14,-0.2 -11,-0.1 -0.936 41.7 76.0-125.1 146.5 74.5 16.4 18.7 209 256 A G S S- 0 0 18 -14,-1.9 -12,-0.1 -2,-0.4 -2,-0.1 -0.797 84.4 -21.5 144.8 175.7 73.9 18.7 21.6 210 257 A P >> - 0 0 63 0, 0.0 4,-2.6 0, 0.0 3,-2.0 -0.183 57.8-128.2 -51.8 137.1 72.5 18.6 25.2 211 258 A A H 3> S+ 0 0 15 1,-0.3 4,-2.2 -200,-0.2 -199,-0.1 0.917 107.0 60.1 -51.0 -51.6 70.2 15.6 25.7 212 259 A S H 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.2 -200,-0.0 0.520 116.1 35.7 -57.9 -7.1 67.4 17.8 27.1 213 260 A Q H <> S+ 0 0 51 -3,-2.0 4,-1.4 3,-0.1 -2,-0.2 0.754 120.6 40.8-110.6 -53.1 67.4 19.6 23.8 214 261 A V H X S+ 0 0 17 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.912 112.8 52.1 -65.5 -47.2 68.1 17.0 21.1 215 262 A V H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.964 109.9 46.1 -58.5 -56.5 66.0 14.1 22.5 216 263 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.898 113.0 52.7 -54.8 -39.7 62.7 16.0 22.8 217 264 A E H X S+ 0 0 122 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.934 111.3 44.3 -62.0 -47.4 63.2 17.5 19.3 218 265 A F H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.909 112.4 52.3 -65.0 -41.6 63.8 14.1 17.7 219 266 A V H X S+ 0 0 3 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.901 110.8 48.2 -60.9 -41.8 60.9 12.6 19.5 220 267 A E H X S+ 0 0 70 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.937 111.0 50.0 -64.6 -46.1 58.6 15.4 18.4 221 268 A K H X S+ 0 0 115 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.956 113.9 46.1 -55.1 -52.2 59.7 15.1 14.8 222 269 A L H X S+ 0 0 25 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.930 113.9 46.1 -57.8 -52.2 59.1 11.3 14.9 223 270 A L H >< S+ 0 0 32 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.917 117.8 43.2 -59.9 -44.5 55.7 11.5 16.5 224 271 A K H >< S+ 0 0 133 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.926 106.0 64.0 -66.6 -43.3 54.5 14.2 14.2 225 272 A G H 3< S+ 0 0 69 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.721 112.2 34.8 -52.7 -25.7 56.1 12.5 11.2 226 273 A L T << 0 0 61 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 -0.172 360.0 360.0-123.4 39.0 53.7 9.6 11.6 227 274 A K < 0 0 238 -3,-2.1 -3,-0.1 -5,-0.0 -4,-0.0 -0.402 360.0 360.0 -60.0 360.0 50.6 11.5 12.8 228 !* 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 0.0 229 12 B K 0 0 146 0, 0.0 -73,-0.1 0, 0.0 -77,-0.1 0.000 360.0 360.0 360.0 163.2 74.9 -13.9 23.4 230 13 B G - 0 0 19 -82,-0.0 -51,-0.1 -54,-0.0 2,-0.0 -0.059 360.0-124.7 97.9 -33.9 76.8 -10.6 23.5 231 14 B G - 0 0 29 -82,-0.1 2,-0.1 -55,-0.0 3,-0.1 -0.214 47.0 -32.1 84.5-178.7 79.4 -11.5 26.1 232 15 B A S S- 0 0 29 -84,-0.2 -84,-0.2 1,-0.1 2,-0.1 -0.352 71.6 -86.7 -79.7 154.4 80.3 -9.8 29.3 233 16 B X + 0 0 27 -86,-2.9 -87,-2.3 -89,-0.3 2,-0.3 -0.395 68.0 156.4 -55.6 125.8 80.0 -6.1 30.1 234 17 B R E -I 175 0D 107 -59,-2.5 -59,-2.6 -89,-0.2 2,-0.5 -0.987 39.0-124.1-155.2 160.9 83.4 -4.8 29.0 235 18 B H E I 174 0D 63 -2,-0.3 -61,-0.2 -61,-0.2 -62,-0.1 -0.939 360.0 360.0-118.6 130.0 85.2 -1.6 27.9 236 19 B R 0 0 184 -63,-2.2 -1,-0.2 -2,-0.5 -63,-0.1 0.905 360.0 360.0 -66.0 360.0 87.1 -1.1 24.7