==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-DEC-10 3PVH . COMPND 2 MOLECULE: UPF0603 PROTEIN AT1G54780, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR H.Y.WU,M.S.LIU,T.P.LIN,Y.S.CHENG . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 6 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.9 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 2 1 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 83 A S > 0 0 67 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.0 33.3 33.2 103.2 2 84 A A H > + 0 0 72 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.882 360.0 52.7 -63.6 -37.2 36.7 34.9 103.6 3 85 A S H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.951 106.8 49.2 -62.7 -51.9 38.0 32.7 100.8 4 86 A E H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.887 116.4 45.0 -56.8 -39.5 35.3 33.6 98.3 5 87 A F H X S+ 0 0 112 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.928 111.0 50.5 -69.0 -48.2 35.9 37.3 99.1 6 88 A N H X S+ 0 0 65 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.907 108.9 52.1 -60.9 -41.4 39.6 37.2 99.0 7 89 A I H < S+ 0 0 2 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.927 116.3 39.6 -61.4 -42.4 39.6 35.5 95.6 8 90 A L H >< S+ 0 0 17 -4,-1.5 3,-0.9 -5,-0.2 -2,-0.2 0.948 118.9 48.6 -68.6 -47.5 37.3 38.1 94.1 9 91 A N H 3< S+ 0 0 92 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.817 102.5 58.5 -60.6 -41.4 38.9 41.1 95.9 10 92 A D T 3< S- 0 0 110 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 0.628 96.6-143.4 -73.5 -14.5 42.5 40.4 95.2 11 93 A G < - 0 0 19 -3,-0.9 -1,-0.2 -4,-0.5 62,-0.1 -0.152 44.3 -25.2 81.6 176.1 42.0 40.5 91.4 12 94 A P - 0 0 37 0, 0.0 2,-1.5 0, 0.0 6,-0.0 -0.356 61.9-116.1 -69.6 143.3 43.7 38.3 88.9 13 95 A P > + 0 0 17 0, 0.0 4,-2.4 0, 0.0 5,-0.1 -0.638 39.2 174.1 -81.8 78.1 47.2 36.8 89.6 14 96 A K T 4 S+ 0 0 99 -2,-1.5 -3,-0.0 1,-0.2 0, 0.0 0.861 75.6 39.3 -56.2 -44.9 49.2 38.5 87.0 15 97 A E T 4 S+ 0 0 170 1,-0.1 -1,-0.2 2,-0.0 23,-0.0 0.799 128.4 30.0 -78.5 -26.1 52.7 37.2 88.0 16 98 A T T 4 S- 0 0 50 2,-0.1 -2,-0.2 22,-0.0 -1,-0.1 0.644 75.2-143.9-112.5 -14.4 51.5 33.6 88.8 17 99 A Y S < S+ 0 0 15 -4,-2.4 33,-2.4 20,-0.1 2,-0.4 0.387 76.3 78.3 62.2 -1.0 48.5 32.2 86.9 18 100 A V E -a 50 0A 8 31,-0.2 2,-0.6 -5,-0.1 33,-0.2 -0.997 54.4-166.3-140.3 135.9 47.1 30.3 89.9 19 101 A V E -a 51 0A 34 31,-2.7 33,-2.6 -2,-0.4 2,-1.4 -0.897 15.3-173.6-114.2 94.6 45.2 31.4 93.0 20 102 A D E > +a 52 0A 26 -2,-0.6 3,-0.9 31,-0.2 5,-0.1 -0.541 20.4 156.2 -91.4 73.6 45.6 28.3 95.2 21 103 A D T 3 S+ 0 0 54 -2,-1.4 32,-0.2 31,-1.2 -1,-0.2 0.816 71.8 56.2 -70.5 -27.5 43.3 29.4 98.1 22 104 A A T 3 S- 0 0 29 30,-0.4 -1,-0.3 -3,-0.3 31,-0.1 0.677 103.0-132.1 -78.1 -14.2 42.7 25.8 99.1 23 105 A G < + 0 0 61 -3,-0.9 -2,-0.1 29,-0.2 -3,-0.1 0.876 66.7 127.3 68.3 35.0 46.5 25.2 99.5 24 106 A V + 0 0 35 105,-0.1 2,-0.4 2,-0.1 106,-0.3 0.400 47.5 79.5-104.8 -1.0 46.4 21.9 97.5 25 107 A L S S- 0 0 12 -5,-0.1 2,-0.1 104,-0.1 -5,-0.0 -0.873 73.3-125.8-113.7 140.9 49.2 22.6 95.0 26 108 A S > - 0 0 46 -2,-0.4 4,-2.8 1,-0.1 5,-0.3 -0.369 23.2-112.5 -79.5 166.0 52.9 22.3 95.5 27 109 A R H > S+ 0 0 220 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.895 118.5 51.3 -61.7 -42.4 55.6 25.0 94.9 28 110 A V H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 111.3 46.0 -60.6 -46.9 57.0 22.8 92.0 29 111 A T H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.885 110.8 51.9 -69.8 -35.2 53.6 22.4 90.3 30 112 A K H X S+ 0 0 69 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.873 111.6 49.0 -66.9 -33.8 52.8 26.1 90.6 31 113 A S H X S+ 0 0 53 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.913 111.4 48.5 -68.6 -42.2 56.1 26.8 89.0 32 114 A D H X S+ 0 0 57 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.882 111.2 50.4 -64.2 -39.5 55.4 24.3 86.2 33 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.915 108.8 52.3 -65.9 -40.4 52.0 25.8 85.7 34 116 A K H X S+ 0 0 94 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.898 110.6 48.5 -60.0 -40.9 53.6 29.3 85.5 35 117 A K H X S+ 0 0 138 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.973 116.1 42.8 -62.8 -46.5 56.0 28.0 82.8 36 118 A L H X S+ 0 0 22 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.890 119.9 39.6 -67.5 -45.3 53.2 26.4 80.8 37 119 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 11,-0.2 0.757 112.4 54.0 -84.2 -27.3 50.7 29.2 81.0 38 120 A S H X S+ 0 0 45 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.850 110.7 50.3 -73.0 -30.8 53.1 32.1 80.6 39 121 A D H X S+ 0 0 72 -4,-1.7 4,-2.6 -5,-0.3 5,-0.3 0.930 109.3 49.9 -68.0 -39.0 54.2 30.3 77.5 40 122 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 6,-0.6 0.933 111.8 48.5 -64.1 -39.7 50.6 30.0 76.3 41 123 A E H X S+ 0 0 51 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.906 112.5 49.1 -68.6 -36.9 50.1 33.8 77.0 42 124 A Y H < S+ 0 0 190 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.932 120.2 35.1 -66.8 -43.3 53.3 34.7 75.1 43 125 A R H < S+ 0 0 89 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 134.8 18.8 -78.1 -44.4 52.5 32.6 72.1 44 126 A K H < S- 0 0 97 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.417 90.5-125.2-114.2 -1.1 48.7 32.9 71.8 45 127 A K < + 0 0 148 -4,-1.6 2,-0.4 -5,-0.4 -4,-0.2 0.817 69.0 128.7 56.2 38.8 47.8 36.0 73.8 46 128 A L - 0 0 14 -6,-0.6 2,-0.6 -9,-0.1 -1,-0.2 -0.984 47.5-152.9-120.1 131.2 45.3 33.9 75.9 47 129 A R E - b 0 83A 5 35,-2.5 37,-2.5 -2,-0.4 2,-0.5 -0.937 10.5-170.5-109.0 115.2 45.7 34.2 79.7 48 130 A L E - b 0 84A 0 -2,-0.6 2,-0.4 -11,-0.2 37,-0.2 -0.941 4.5-171.3-109.6 122.6 44.4 31.1 81.6 49 131 A N E - b 0 85A 0 35,-2.4 37,-2.4 -2,-0.5 2,-0.4 -0.893 8.4-152.6-112.4 144.8 44.1 31.4 85.4 50 132 A F E -ab 18 86A 4 -33,-2.4 -31,-2.7 -2,-0.4 2,-0.4 -0.938 8.9-168.9-116.5 142.4 43.4 28.5 87.8 51 133 A I E -ab 19 87A 1 35,-2.6 37,-2.3 -2,-0.4 2,-0.4 -0.999 4.0-165.1-130.2 132.8 41.7 29.0 91.2 52 134 A T E +ab 20 88A 1 -33,-2.6 -31,-1.2 -2,-0.4 -30,-0.4 -0.917 13.7 170.7-111.5 142.8 41.4 26.4 93.9 53 135 A V E - b 0 89A 0 35,-2.2 37,-2.6 -2,-0.4 38,-0.3 -0.984 32.4-136.9-148.4 141.2 38.9 26.9 96.8 54 136 A R S S- 0 0 141 -2,-0.3 37,-2.5 1,-0.2 38,-0.5 0.952 79.6 -17.0 -69.3 -45.6 37.9 24.4 99.5 55 137 A K - 0 0 106 36,-0.1 2,-0.5 35,-0.1 -1,-0.2 -0.995 58.9-121.3-157.6 152.5 34.2 25.1 99.5 56 138 A L - 0 0 28 -2,-0.3 6,-0.0 1,-0.2 33,-0.0 -0.867 19.3-175.6 -98.4 127.9 31.7 27.8 98.4 57 139 A T S S+ 0 0 91 -2,-0.5 -1,-0.2 2,-0.0 2,-0.1 0.738 70.7 76.4 -92.7 -34.2 29.6 29.2 101.2 58 140 A S S S- 0 0 52 1,-0.1 7,-0.1 2,-0.1 -2,-0.0 -0.483 105.0-112.4 -64.2 156.8 27.4 31.4 99.0 59 141 A K S S+ 0 0 212 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.300 78.6 128.9 -82.2 22.1 25.1 28.6 97.6 60 142 A A - 0 0 14 1,-0.1 2,-0.1 2,-0.1 -4,-0.1 -0.413 54.3-134.0 -73.9 143.5 26.7 29.2 94.2 61 143 A D > - 0 0 75 -2,-0.1 4,-2.2 1,-0.0 5,-0.2 -0.334 36.7 -86.8 -87.7-178.0 28.1 26.3 92.2 62 144 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 34,-0.2 0.859 124.8 48.6 -61.2 -40.2 31.4 26.3 90.5 63 145 A F H > S+ 0 0 108 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 109.9 52.1 -69.0 -41.0 30.3 27.8 87.3 64 146 A E H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 113.4 44.3 -60.9 -41.4 28.4 30.6 88.9 65 147 A Y H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.912 111.6 53.6 -68.9 -41.1 31.4 31.5 91.0 66 148 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.897 111.5 46.2 -58.8 -41.8 33.8 31.2 87.9 67 149 A D H X S+ 0 0 66 -4,-2.8 4,-2.5 2,-0.2 -1,-0.3 0.872 110.5 52.8 -69.2 -37.5 31.6 33.6 86.1 68 150 A Q H X S+ 0 0 89 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.903 111.0 47.5 -61.2 -41.9 31.4 35.9 89.0 69 151 A V H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.4 0.928 109.2 52.7 -64.2 -45.4 35.2 35.9 89.1 70 152 A L H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.951 112.6 45.4 -57.2 -48.4 35.5 36.5 85.4 71 153 A E H < S+ 0 0 112 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.815 116.3 45.0 -66.2 -33.0 33.2 39.6 85.6 72 154 A K H < S+ 0 0 110 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.917 119.6 39.7 -76.1 -44.3 34.9 41.0 88.7 73 155 A W H < S+ 0 0 14 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.858 130.5 27.3 -71.4 -35.8 38.5 40.5 87.5 74 156 A Y S < S+ 0 0 13 -4,-2.5 -1,-0.3 -5,-0.4 6,-0.2 -0.710 71.0 179.4-130.7 81.4 37.9 41.5 83.8 75 157 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.249 62.6 40.1 -74.8 16.1 34.9 43.9 83.8 76 158 A S S > S- 0 0 47 1,-0.1 4,-2.7 0, 0.0 3,-0.5 -0.969 84.6-112.0-152.0 160.5 34.8 44.6 80.1 77 159 A I H > S+ 0 0 121 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.837 116.4 62.0 -67.5 -28.3 35.1 42.5 77.0 78 160 A E H 4 S+ 0 0 178 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.906 114.4 35.4 -61.9 -35.1 38.4 44.4 76.1 79 161 A E H 4 S+ 0 0 88 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.822 127.4 36.2 -86.5 -35.3 39.8 43.0 79.4 80 162 A G H >< S+ 0 0 7 -4,-2.7 3,-2.2 -6,-0.2 20,-0.7 0.614 85.4 92.2 -98.5 -11.0 38.1 39.6 79.4 81 163 A N T 3< S+ 0 0 61 -4,-2.4 22,-1.8 1,-0.3 21,-0.9 0.850 97.0 35.4 -51.1 -42.4 38.0 38.4 75.8 82 164 A N T 3 S+ 0 0 38 -4,-0.2 -35,-2.5 20,-0.2 2,-0.4 0.050 100.3 103.8-101.7 23.6 41.2 36.5 75.9 83 165 A K E < -b 47 0A 22 -3,-2.2 17,-2.4 -37,-0.2 2,-0.4 -0.830 45.9-169.3-111.8 143.0 40.9 35.3 79.5 84 166 A G E -bC 48 99A 0 -37,-2.5 -35,-2.4 -2,-0.4 2,-0.4 -0.974 3.5-162.6-125.7 148.4 40.0 31.9 80.9 85 167 A I E -bC 49 98A 0 13,-3.0 13,-2.3 -2,-0.4 2,-0.5 -0.996 1.5-168.7-132.1 124.3 39.2 31.0 84.5 86 168 A V E -bC 50 97A 1 -37,-2.4 -35,-2.6 -2,-0.4 2,-0.4 -0.974 8.7-166.3-110.0 128.2 39.2 27.4 85.8 87 169 A V E -bC 51 96A 0 9,-2.8 9,-1.8 -2,-0.5 2,-0.5 -0.953 7.1-172.6-116.7 131.8 37.7 26.9 89.3 88 170 A L E -bC 52 95A 2 -37,-2.3 -35,-2.2 -2,-0.4 2,-0.7 -0.990 10.2-158.7-122.0 121.2 38.2 23.7 91.3 89 171 A I E >> -bC 53 94A 2 5,-3.1 5,-1.4 -2,-0.5 4,-1.2 -0.867 12.1-161.9 -94.4 109.3 36.2 23.4 94.6 90 172 A T T 45S+ 0 0 8 -37,-2.6 -36,-0.2 -2,-0.7 -1,-0.2 0.853 81.5 50.8 -72.8 -31.3 38.2 20.8 96.5 91 173 A S T 45S+ 0 0 34 -37,-2.5 -1,-0.2 -38,-0.3 -36,-0.1 0.869 118.8 39.3 -71.6 -35.1 35.8 19.6 99.1 92 174 A Q T 45S- 0 0 120 -38,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.548 98.6-133.0 -88.6 -12.6 33.1 19.0 96.4 93 175 A K T <5 + 0 0 58 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.906 61.6 136.7 60.6 41.8 35.4 17.6 93.7 94 176 A E E < -C 89 0A 64 -5,-1.4 -5,-3.1 26,-0.1 2,-0.3 -0.964 32.6-174.1-125.6 137.1 33.6 20.0 91.3 95 177 A G E -C 88 0A 16 21,-0.4 2,-0.3 -2,-0.4 -7,-0.2 -0.811 4.1-176.1-124.8 163.8 35.2 22.1 88.5 96 178 A A E -C 87 0A 7 -9,-1.8 -9,-2.8 -2,-0.3 2,-0.4 -0.972 8.6-156.7-151.7 155.2 34.0 24.8 86.1 97 179 A I E +C 86 0A 14 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.998 20.0 158.0-134.8 132.3 35.6 26.7 83.3 98 180 A T E +C 85 0A 13 -13,-2.3 -13,-3.0 -2,-0.4 2,-0.3 -0.891 6.2 146.5-138.8-179.7 34.5 30.1 81.8 99 181 A G E -C 84 0A 11 -2,-0.3 -15,-0.2 -15,-0.3 -18,-0.1 -0.975 47.6 -57.9 170.4 179.1 36.1 32.8 79.9 100 182 A G > - 0 0 4 -17,-2.4 4,-2.5 -20,-0.7 3,-0.4 -0.321 61.1 -95.1 -77.6 166.3 35.8 35.5 77.3 101 183 A P H > S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.843 121.6 51.8 -54.5 -39.4 34.7 34.7 73.8 102 184 A A H > S+ 0 0 35 -21,-0.9 4,-1.9 2,-0.2 -20,-0.2 0.907 112.4 47.5 -67.3 -37.8 38.1 34.4 72.2 103 185 A F H > S+ 0 0 0 -22,-1.8 4,-1.7 -3,-0.4 5,-0.2 0.943 112.9 47.3 -65.0 -46.8 39.2 32.0 74.9 104 186 A I H X S+ 0 0 37 -4,-2.5 4,-2.7 -23,-0.2 -2,-0.2 0.921 112.3 50.0 -61.1 -42.2 36.1 29.8 74.7 105 187 A E H < S+ 0 0 154 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.889 108.3 54.6 -63.5 -36.0 36.3 29.7 70.9 106 188 A A H < S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.2 40,-0.2 0.850 115.8 35.9 -68.4 -36.6 40.0 28.7 71.1 107 189 A V H < S- 0 0 10 -4,-1.7 4,-0.4 -3,-0.2 -2,-0.2 0.926 102.2-141.8 -79.4 -48.9 39.4 25.7 73.4 108 190 A G X - 0 0 27 -4,-2.7 4,-2.0 -5,-0.2 3,-0.2 0.230 23.0 -92.9 94.8 144.9 36.1 24.6 72.0 109 191 A E H > S+ 0 0 116 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.834 118.4 62.4 -61.8 -34.2 33.1 23.2 73.9 110 192 A N H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.959 111.0 36.5 -58.8 -48.1 34.1 19.6 73.6 111 193 A I H > S+ 0 0 25 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.861 115.1 55.8 -75.4 -30.3 37.4 20.0 75.5 112 194 A L H X S+ 0 0 9 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.955 113.9 41.9 -60.7 -49.7 35.8 22.6 77.9 113 195 A D H X S+ 0 0 96 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.904 114.2 50.6 -64.6 -43.8 33.2 20.0 78.8 114 196 A A H X>S+ 0 0 16 -4,-2.3 4,-1.9 -5,-0.3 5,-0.5 0.913 108.0 52.8 -63.4 -40.6 35.6 17.1 78.9 115 197 A T H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 -1,-0.2 0.900 112.7 43.5 -65.1 -38.7 38.1 18.8 81.2 116 198 A V H <5S+ 0 0 37 -4,-1.5 -21,-0.4 -5,-0.2 -1,-0.2 0.753 119.2 42.1 -78.8 -21.5 35.4 19.6 83.8 117 199 A S H <5S+ 0 0 76 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.656 130.8 18.7 -99.3 -13.3 33.8 16.3 83.7 118 200 A E T X>S+ 0 0 73 -4,-1.9 4,-2.2 -5,-0.2 5,-0.5 0.682 122.5 34.4-116.5 -79.6 37.0 14.2 83.6 119 201 A N H >5S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.903 118.9 50.8 -68.5 -37.5 36.7 15.8 89.3 122 204 A V H X5S+ 0 0 69 -4,-2.2 4,-1.5 2,-0.2 6,-0.2 0.950 115.9 39.9 -66.1 -48.1 38.4 12.4 88.8 123 205 A L H <5S+ 0 0 0 -4,-2.0 3,-2.4 -5,-0.4 -1,-0.2 0.895 103.7 60.6 -66.8 -36.8 40.6 15.6 92.8 125 207 A T H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.907 107.2 46.3 -57.8 -40.0 38.4 12.7 94.1 126 208 A D T 3<5S- 0 0 106 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.295 121.0-113.8 -84.1 16.4 41.7 10.8 94.4 127 209 A E T < 5S+ 0 0 151 -3,-2.4 2,-1.2 1,-0.2 3,-0.2 0.712 75.7 136.2 59.0 24.5 43.2 13.8 96.1 128 210 A K >< + 0 0 101 -5,-3.2 4,-2.1 1,-0.2 -1,-0.2 -0.569 17.4 154.9 -98.2 68.9 45.6 14.2 93.1 129 211 A Y H > + 0 0 30 -2,-1.2 4,-2.5 1,-0.2 5,-0.3 0.849 66.5 53.9 -67.8 -39.4 45.1 18.0 93.0 130 212 A N H > S+ 0 0 42 -106,-0.3 4,-2.7 -3,-0.2 5,-0.3 0.933 114.0 42.7 -59.7 -45.4 48.5 18.8 91.3 131 213 A E H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.845 110.8 57.1 -66.5 -36.1 47.7 16.4 88.6 132 214 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.947 115.8 35.3 -59.4 -49.8 44.1 17.6 88.3 133 215 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 120.8 45.2 -72.8 -45.4 45.2 21.1 87.7 134 216 A Y H X S+ 0 0 72 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.932 114.6 48.2 -70.3 -36.9 48.3 20.4 85.6 135 217 A S H X S+ 0 0 33 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.897 111.9 50.7 -69.4 -33.7 46.7 17.8 83.4 136 218 A S H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.4 5,-0.2 0.926 110.4 49.9 -68.0 -42.4 43.7 20.1 82.9 137 219 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.939 110.9 48.1 -58.4 -46.2 46.0 22.9 81.9 138 220 A K H X S+ 0 0 99 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.898 112.0 50.7 -59.8 -41.4 47.9 20.7 79.4 139 221 A R H X S+ 0 0 9 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.900 112.2 45.1 -66.4 -39.9 44.6 19.5 77.9 140 222 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 113.4 51.2 -69.5 -43.4 43.3 23.0 77.4 141 223 A V H X S+ 0 0 12 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.940 107.7 53.0 -59.0 -42.7 46.7 24.1 76.0 142 224 A A H <>S+ 0 0 14 -4,-2.7 5,-2.9 1,-0.2 4,-0.4 0.908 110.4 48.0 -60.3 -39.4 46.6 21.2 73.5 143 225 A A H ><5S+ 0 0 24 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.942 111.2 49.4 -67.0 -44.0 43.1 22.3 72.3 144 226 A I H 3<5S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.908 114.1 46.6 -60.8 -40.3 44.1 25.9 71.9 145 227 A D T 3<5S- 0 0 41 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.424 111.7-118.9 -84.1 2.9 47.2 24.7 69.9 146 228 A G T < 5 + 0 0 67 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.835 64.2 146.4 63.6 31.9 45.3 22.3 67.7 147 229 A Q < - 0 0 122 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.1 -0.502 61.3 -75.2 -95.0 164.4 47.3 19.4 69.0 148 230 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.415 57.7-104.5 -60.5 137.0 46.0 15.9 69.5 149 231 A D - 0 0 79 1,-0.2 -10,-0.1 -7,-0.1 3,-0.1 -0.412 20.1-151.6 -63.2 122.4 43.8 15.7 72.7 150 232 A P - 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -11,-0.1 0.737 39.4-142.6 -70.3 -14.2 45.7 14.0 75.5 151 233 A G - 0 0 22 -12,-0.1 -12,-0.1 2,-0.0 -33,-0.0 -0.113 23.2 -56.0 81.7 176.5 42.3 12.8 76.8 152 234 A G 0 0 32 1,-0.1 -37,-0.1 -3,-0.1 -38,-0.0 -0.248 360.0 360.0 -86.4 175.8 41.1 12.5 80.3 153 235 A P 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -31,-0.1 -0.523 360.0 360.0 -79.9 360.0 42.6 10.5 83.2