==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-FEB-10 3LT0 . COMPND 2 MOLECULE: ENOYL-ACP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR K.MAITY,S.P.BHARGAV,B.SANKARAN,N.SUROLIA,A.SUROLIA,K.SUGUNA . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 32 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 4 1 0 0 0 0 2 4 8 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 96 A N 0 0 140 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.1 26.7 75.3 51.9 2 97 A E + 0 0 43 27,-0.1 2,-0.4 2,-0.0 27,-0.1 -0.472 360.0 163.5-107.1 64.3 29.8 73.6 50.5 3 98 A D - 0 0 51 -2,-0.6 27,-2.4 25,-0.3 2,-0.4 -0.664 10.8-178.8 -79.5 129.9 31.4 76.1 48.1 4 99 A I E -a 30 0A 16 -2,-0.4 111,-1.8 25,-0.2 112,-1.4 -1.000 6.1-167.8-131.3 134.9 35.0 75.4 47.2 5 100 A C E -ab 31 116A 0 25,-2.6 27,-2.6 -2,-0.4 2,-0.6 -0.986 11.4-152.6-125.4 125.5 37.2 77.5 44.9 6 101 A F E -ab 32 117A 0 110,-1.9 112,-3.0 -2,-0.4 2,-0.6 -0.870 12.8-162.9 -91.8 122.9 40.5 76.6 43.4 7 102 A I E -ab 33 118A 0 25,-3.2 27,-3.1 -2,-0.6 2,-0.6 -0.934 1.6-162.6-110.7 109.9 42.7 79.7 42.8 8 103 A A E +ab 34 119A 0 110,-3.0 112,-2.8 -2,-0.6 27,-0.1 -0.823 68.0 40.3 -93.9 116.7 45.5 79.1 40.3 9 104 A G + 0 0 28 25,-2.5 2,-0.5 -2,-0.6 8,-0.4 0.797 62.8 142.6 114.0 43.9 48.2 81.7 40.6 10 105 A I + 0 0 6 24,-1.5 26,-0.3 -3,-0.3 -1,-0.3 -0.969 3.6 154.1-110.3 125.2 49.0 82.8 44.1 11 106 A G S S- 0 0 21 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.506 71.2 -22.6-120.9 -16.0 52.7 83.5 44.9 12 107 A D S S- 0 0 29 34,-0.0 -1,-0.4 40,-0.0 3,-0.4 -0.878 78.3 -80.7-172.9-163.8 52.4 85.9 47.8 13 108 A T S S+ 0 0 16 -2,-0.3 -3,-0.0 1,-0.2 209,-0.0 0.343 106.9 78.0-103.3 6.6 49.9 88.3 49.3 14 109 A N S S+ 0 0 98 4,-0.1 -1,-0.2 238,-0.0 2,-0.1 0.389 80.9 71.9 -98.2 1.7 50.5 91.2 46.9 15 110 A G S > S- 0 0 13 -3,-0.4 4,-1.2 207,-0.1 3,-0.1 -0.420 92.8 -95.1-110.5-175.0 48.7 90.1 43.8 16 111 A Y H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.805 115.0 66.7 -72.0 -27.9 45.1 89.8 42.6 17 112 A G H > S+ 0 0 2 -8,-0.4 4,-2.2 103,-0.2 -1,-0.2 0.930 102.9 46.7 -60.1 -46.4 44.9 86.0 43.6 18 113 A W H > S+ 0 0 5 -6,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 110.6 51.7 -60.8 -45.9 45.2 86.9 47.3 19 114 A G H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.870 110.8 48.6 -59.2 -37.9 42.6 89.7 47.1 20 115 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.903 110.6 51.4 -67.2 -41.4 40.1 87.3 45.4 21 116 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.919 109.7 50.4 -59.2 -45.4 40.9 84.7 48.1 22 117 A K H X S+ 0 0 47 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.916 112.3 45.1 -61.3 -50.4 40.2 87.2 50.9 23 118 A E H X S+ 0 0 9 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.859 112.7 49.9 -63.0 -38.2 36.9 88.3 49.5 24 119 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-1.0 0.876 105.6 59.5 -65.9 -34.9 35.7 84.8 48.8 25 120 A S H ><5S+ 0 0 7 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.854 96.0 60.4 -62.5 -38.4 36.7 84.0 52.4 26 121 A K H 3<5S+ 0 0 104 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.786 103.5 51.8 -53.0 -34.5 34.2 86.6 53.7 27 122 A R T <<5S- 0 0 81 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.213 122.5-109.5 -89.5 13.0 31.5 84.6 52.0 28 123 A N T < 5 + 0 0 139 -3,-1.9 2,-0.4 1,-0.2 -25,-0.3 0.826 63.3 158.8 61.1 34.9 32.7 81.4 53.8 29 124 A V < - 0 0 5 -5,-1.8 2,-0.3 -8,-0.1 36,-0.2 -0.763 43.9-122.5 -86.6 132.3 34.0 79.9 50.6 30 125 A K E -a 4 0A 113 -27,-2.4 -25,-2.6 -2,-0.4 2,-0.4 -0.617 31.9-147.0 -73.7 133.0 36.7 77.2 51.1 31 126 A I E -ac 5 66A 0 34,-1.0 36,-2.1 -2,-0.3 37,-1.2 -0.905 19.1-173.3-115.2 130.5 39.9 78.1 49.3 32 127 A I E -ac 6 68A 0 -27,-2.6 -25,-3.2 -2,-0.4 2,-0.4 -0.987 17.6-146.4-117.5 125.1 42.5 76.0 47.6 33 128 A F E -ac 7 69A 0 35,-2.4 37,-2.9 -2,-0.5 2,-0.6 -0.752 4.5-155.8 -92.1 134.1 45.7 77.7 46.3 34 129 A G E -ac 8 70A 0 -27,-3.1 -25,-2.5 -2,-0.4 -24,-1.5 -0.957 21.3-166.3-104.2 117.7 47.6 76.5 43.2 35 130 A I E - c 0 71A 0 35,-3.2 37,-2.5 -2,-0.6 5,-0.1 -0.931 25.4-113.6-116.4 126.8 51.2 77.7 43.6 36 131 A W >> - 0 0 108 -2,-0.5 3,-2.1 -26,-0.3 4,-0.6 -0.316 31.6-126.2 -55.4 126.8 53.8 77.8 40.8 37 132 A P H >> S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 4,-0.6 0.871 104.1 63.3 -53.6 -42.9 56.5 75.2 41.8 38 133 A P H 34 S+ 0 0 21 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.733 118.0 30.1 -51.0 -23.2 59.5 77.6 41.7 39 134 A V H <> S+ 0 0 15 -3,-2.1 4,-2.2 2,-0.1 5,-0.2 0.294 94.3 97.0-116.9 5.8 57.9 79.6 44.5 40 135 A Y H S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.907 111.6 49.3 -64.0 -44.2 59.2 79.9 49.7 43 138 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.939 111.5 48.0 -60.8 -48.4 55.5 80.5 50.0 44 139 A M H X S+ 0 0 50 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.906 112.3 50.1 -62.1 -41.8 55.0 77.6 52.4 45 140 A K H X S+ 0 0 139 -4,-2.2 4,-2.8 2,-0.2 6,-0.2 0.950 111.7 46.7 -60.7 -51.7 58.0 78.8 54.5 46 141 A N H <>S+ 0 0 40 -4,-2.9 5,-2.5 1,-0.2 6,-0.4 0.935 114.2 49.3 -56.2 -45.5 56.6 82.4 54.7 47 142 A Y H ><5S+ 0 0 73 -4,-3.0 3,-1.8 -5,-0.2 -2,-0.2 0.944 112.2 46.2 -56.9 -51.5 53.2 81.0 55.5 48 143 A K H 3<5S+ 0 0 79 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.916 109.4 55.4 -62.3 -42.0 54.5 78.7 58.3 49 144 A N T 3<5S- 0 0 125 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.376 117.8-113.6 -71.8 3.9 56.7 81.6 59.7 50 145 A G T X 5S+ 0 0 23 -3,-1.8 3,-1.2 -4,-0.1 4,-0.3 0.610 72.3 138.3 73.4 16.6 53.5 83.7 60.0 51 146 A K T 3 S+ 0 0 4 -6,-0.4 4,-0.9 -5,-0.2 -1,-0.2 0.397 82.2 104.2-101.2 -0.4 51.0 86.3 56.0 53 148 A D T X4 S+ 0 0 85 -3,-1.2 3,-0.9 1,-0.2 4,-0.3 0.873 82.9 44.5 -55.8 -48.2 49.0 86.4 59.3 54 149 A N G >4 S+ 0 0 133 -4,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.866 111.5 55.8 -63.2 -34.1 48.1 90.1 59.2 55 150 A D G 34 S+ 0 0 61 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.643 101.3 59.5 -72.2 -15.1 47.1 89.7 55.5 56 151 A M G << S+ 0 0 2 -4,-0.9 8,-2.6 -3,-0.9 2,-0.4 0.475 75.5 110.8 -90.6 -6.7 44.7 86.9 56.4 57 152 A I B < +G 63 0B 86 -3,-1.1 6,-0.2 -4,-0.3 3,-0.1 -0.587 38.6 178.9 -74.5 122.3 42.5 88.9 58.7 58 153 A I - 0 0 25 4,-2.4 2,-0.3 -2,-0.4 5,-0.2 0.924 60.6 -59.4 -86.7 -57.2 39.0 89.5 57.2 59 154 A D S S- 0 0 102 3,-1.4 -1,-0.4 -33,-0.0 0, 0.0 -0.916 76.8 -42.4-158.4-159.7 37.7 91.4 60.2 60 155 A K S S+ 0 0 113 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 0.799 135.8 23.5 -35.7 -47.6 36.9 91.4 63.9 61 156 A D S S+ 0 0 75 1,-0.1 2,-0.3 -4,-0.0 -1,-0.2 0.892 113.1 68.9 -88.6 -42.0 35.5 87.9 63.7 62 157 A K - 0 0 38 -5,-0.0 -4,-2.4 3,-0.0 -3,-1.4 -0.605 42.9-176.6-108.5 141.0 37.0 86.2 60.7 63 158 A K B -G 57 0B 134 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.1 -0.905 48.3 -89.4-116.2 149.1 40.4 84.9 59.5 64 159 A M - 0 0 2 -8,-2.6 2,-0.8 -2,-0.3 -42,-0.1 -0.377 37.0-143.7 -57.2 127.3 40.9 83.5 55.9 65 160 A N - 0 0 60 -36,-0.2 -34,-1.0 -2,-0.1 2,-0.7 -0.854 15.2-167.4 -95.9 109.8 40.2 79.7 55.9 66 161 A I E -c 31 0A 34 -2,-0.8 -34,-0.2 1,-0.2 3,-0.1 -0.867 7.2-170.2-100.1 115.7 42.7 78.1 53.6 67 162 A L E - 0 0 57 -36,-2.1 2,-0.3 -2,-0.7 -35,-0.2 0.933 64.6 -21.9 -70.2 -51.2 41.6 74.5 52.8 68 163 A D E -c 32 0A 36 -37,-1.2 -35,-2.4 2,-0.0 2,-0.4 -0.974 47.6-143.6-153.5 169.0 44.8 73.5 51.0 69 164 A M E +c 33 0A 13 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.980 26.6 179.0-140.3 122.0 47.9 74.7 49.1 70 165 A L E -c 34 0A 13 -37,-2.9 -35,-3.2 -2,-0.4 2,-0.1 -0.952 33.5-108.7-129.7 142.7 49.2 72.7 46.2 71 166 A P E +c 35 0A 13 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.484 43.4 177.3 -68.9 142.8 52.0 73.0 43.6 72 167 A F - 0 0 6 -37,-2.5 2,-0.5 -2,-0.1 27,-0.2 -0.962 18.6-171.8-154.7 121.9 50.6 73.8 40.2 73 168 A D > - 0 0 3 25,-2.9 3,-1.5 -2,-0.3 27,-0.4 -0.958 9.2-164.2-124.6 114.8 52.3 74.5 36.9 74 169 A A T 3 S+ 0 0 11 -2,-0.5 78,-0.1 1,-0.3 -1,-0.1 0.439 82.7 78.8 -77.1 -4.1 50.0 75.7 34.0 75 170 A S T 3 S+ 0 0 34 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.699 91.9 57.3 -67.3 -25.3 52.9 74.9 31.5 76 171 A F < - 0 0 18 -3,-1.5 24,-2.7 22,-0.2 -3,-0.2 -0.958 54.2-173.5-124.9 122.1 52.0 71.2 31.7 77 172 A D S S+ 0 0 35 -2,-0.5 24,-2.5 22,-0.2 2,-0.3 0.900 76.6 4.7 -76.5 -43.1 48.6 69.5 30.9 78 173 A T S > S- 0 0 26 22,-0.2 3,-2.3 23,-0.1 4,-0.4 -0.902 82.3 -94.2-142.3 164.2 49.6 66.0 32.1 79 174 A A G > S+ 0 0 58 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.848 119.9 59.8 -45.5 -43.3 52.4 64.1 33.7 80 175 A N G 3 S+ 0 0 156 1,-0.2 -1,-0.3 -4,-0.0 -4,-0.0 0.677 93.0 67.6 -59.7 -22.5 53.8 63.1 30.3 81 176 A D G < S+ 0 0 81 -3,-2.3 2,-0.3 2,-0.1 -1,-0.2 0.632 72.0 105.6 -80.9 -14.1 54.3 66.7 29.3 82 177 A I < - 0 0 34 -3,-1.4 2,-0.1 -4,-0.4 -6,-0.0 -0.518 65.4-137.1 -72.3 128.2 57.1 67.6 31.8 83 178 A D > - 0 0 74 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.379 21.1-107.8 -79.0 162.5 60.5 67.8 30.1 84 179 A E H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 116.0 55.4 -54.3 -48.0 63.8 66.4 31.6 85 180 A E H 4 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.848 111.4 44.4 -58.4 -38.8 65.3 69.8 32.5 86 181 A T H >4 S+ 0 0 25 -3,-0.3 3,-1.3 2,-0.2 6,-0.3 0.945 111.6 49.5 -72.9 -52.3 62.2 70.6 34.7 87 182 A K H 3< S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.842 114.4 49.1 -55.5 -32.1 61.8 67.3 36.4 88 183 A N T 3< S+ 0 0 80 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.575 86.1 116.2 -81.7 -13.9 65.6 67.6 37.2 89 184 A N S <> S- 0 0 70 -3,-1.3 4,-2.5 -4,-0.4 3,-0.3 -0.322 74.2-125.2 -59.5 137.9 65.2 71.1 38.5 90 185 A K H > S+ 0 0 83 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.857 109.2 45.7 -48.4 -42.5 66.1 71.5 42.2 91 186 A R H 4 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.2 -50,-0.1 0.802 117.0 40.7 -79.9 -31.2 62.6 73.1 42.9 92 187 A Y H >4 S+ 0 0 22 -6,-0.3 3,-2.0 -3,-0.3 -2,-0.2 0.757 99.0 76.6 -84.4 -28.8 60.4 70.6 41.0 93 188 A N H 3< S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.845 96.7 44.9 -53.4 -42.6 62.4 67.5 42.1 94 189 A M T 3< S+ 0 0 155 -4,-0.7 -1,-0.3 -3,-0.1 2,-0.3 0.283 108.0 73.1 -88.1 8.1 60.9 67.4 45.6 95 190 A L < - 0 0 25 -3,-2.0 2,-0.3 3,-0.0 3,-0.1 -0.824 57.4-179.5-118.2 164.0 57.3 68.0 44.3 96 191 A Q + 0 0 137 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.951 55.1 35.0-152.1 167.0 54.8 65.9 42.4 97 192 A N S S+ 0 0 75 -2,-0.3 9,-0.1 1,-0.1 -1,-0.1 0.839 70.6 131.7 54.6 44.0 51.3 65.9 40.9 98 193 A Y + 0 0 13 4,-0.1 -25,-2.9 -26,-0.1 -22,-0.2 0.323 32.8 105.5-112.1 3.7 51.6 69.5 39.9 99 194 A T S > S- 0 0 0 -27,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.392 86.0-103.5 -75.7 164.1 50.4 69.3 36.2 100 195 A I H > S+ 0 0 0 -24,-2.7 4,-2.0 -27,-0.4 -22,-0.2 0.928 120.8 42.4 -56.6 -49.0 46.9 70.6 35.4 101 196 A E H > S+ 0 0 67 -24,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.899 113.9 52.0 -65.5 -42.4 45.2 67.1 35.2 102 197 A D H > S+ 0 0 27 -25,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.880 109.1 49.9 -62.3 -40.8 47.0 65.8 38.3 103 198 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.914 110.1 50.6 -67.3 -41.8 45.9 68.8 40.3 104 199 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.935 113.5 46.0 -55.3 -48.4 42.3 68.3 39.2 105 200 A N H X S+ 0 0 86 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.892 113.1 49.7 -63.4 -41.6 42.5 64.6 40.2 106 201 A L H X S+ 0 0 28 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.908 111.8 46.5 -65.2 -46.9 44.1 65.4 43.5 107 202 A I H X>S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.6 0.929 114.4 48.2 -61.5 -44.9 41.6 68.0 44.5 108 203 A H H X5S+ 0 0 73 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.912 112.0 49.6 -65.7 -38.7 38.7 65.8 43.5 109 204 A Q H <5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 119.8 36.1 -67.6 -38.1 40.2 62.8 45.4 110 205 A K H <5S+ 0 0 108 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.845 138.1 10.4 -82.7 -37.7 40.7 64.9 48.6 111 206 A Y H <5S- 0 0 70 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.440 91.6-132.0-128.0 -6.7 37.7 67.1 48.6 112 207 A G << - 0 0 25 -4,-1.8 -1,-0.3 -5,-0.6 -2,-0.1 -0.437 61.6 -2.9 84.5-158.5 35.2 66.0 46.0 113 208 A K - 0 0 95 -2,-0.1 48,-0.2 48,-0.1 2,-0.2 -0.431 62.9-157.4 -76.1 143.5 33.5 68.3 43.4 114 209 A I E - d 0 161A 0 46,-2.7 48,-1.8 43,-0.2 -109,-0.1 -0.647 12.6-157.8-110.6 171.3 34.1 72.1 43.5 115 210 A N E + 0 0 28 -111,-1.8 51,-1.7 46,-0.2 2,-0.3 0.369 69.2 57.3-133.7 7.7 32.0 74.9 42.1 116 211 A M E -bd 5 166A 9 -112,-1.4 -110,-1.9 49,-0.2 2,-0.4 -0.999 53.6-174.9-144.0 138.3 34.4 77.9 41.6 117 212 A L E -bd 6 167A 0 49,-1.7 51,-2.4 -2,-0.3 2,-0.5 -0.998 3.8-167.1-140.2 128.0 37.6 78.2 39.6 118 213 A V E -bd 7 168A 0 -112,-3.0 -110,-3.0 -2,-0.4 2,-0.7 -0.975 7.2-164.9-122.5 123.4 40.0 81.2 39.3 119 214 A H E +bd 8 169A 1 49,-3.0 51,-0.6 -2,-0.5 -110,-0.1 -0.921 23.7 157.4-100.8 110.6 42.7 81.6 36.8 120 215 A S + 0 0 17 -112,-2.8 2,-0.3 -2,-0.7 -103,-0.2 -0.414 38.2 94.2-133.8 55.3 45.0 84.4 38.1 121 216 A L + 0 0 39 25,-0.1 2,-0.3 49,-0.1 49,-0.2 -0.982 35.5 167.4-146.1 157.4 48.3 83.8 36.3 122 217 A A - 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