==== 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 OXIDOREDUCTASE 07-JUN-05 1ZXB . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.S.FREUNDLICH,J.W.ANDERSON,D.SARANTAKIS,H.M.SHIEH,M.YU,E.LU . 578 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 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 . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 3 1 1 0 0 2 4 3 4 1 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 5 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 97 A E 0 0 175 0, 0.0 2,-0.4 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 113.4 29.5 75.0 51.5 2 98 A D - 0 0 62 25,-0.5 27,-1.8 2,-0.0 2,-0.4 -0.985 360.0-165.0-137.4 127.8 31.5 76.7 48.7 3 99 A I E -a 29 0A 19 -2,-0.4 111,-1.5 25,-0.2 112,-0.9 -0.924 2.1-170.5-120.2 132.9 34.9 76.1 47.3 4 100 A C E -ab 30 115A 0 25,-3.2 27,-3.4 -2,-0.4 2,-0.6 -0.973 10.6-153.9-121.0 126.1 37.0 78.3 45.1 5 101 A F E -ab 31 116A 0 110,-2.1 112,-1.6 -2,-0.5 2,-0.6 -0.860 11.2-167.4 -90.5 122.1 40.2 77.4 43.3 6 102 A I E -ab 32 117A 0 25,-3.1 27,-3.5 -2,-0.6 2,-0.5 -0.959 2.8-168.7-107.1 114.6 42.4 80.4 42.7 7 103 A A E +ab 33 118A 0 110,-2.5 112,-2.7 -2,-0.6 27,-0.2 -0.919 59.4 48.5-102.0 126.8 45.2 79.6 40.3 8 104 A G E + 0 0 22 25,-2.6 8,-0.4 -2,-0.5 2,-0.3 0.810 67.0 122.1 113.4 49.3 47.9 82.2 40.0 9 105 A I E +a 34 0A 14 24,-1.2 26,-0.6 -3,-0.2 -1,-0.3 -0.937 20.0 164.8-125.6 162.0 49.4 83.6 43.2 10 106 A G S S- 0 0 26 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.217 75.7 -4.9-143.2 -5.3 52.9 83.8 44.7 11 107 A D S S- 0 0 25 34,-0.0 3,-0.4 40,-0.0 -1,-0.3 -0.930 76.7 -87.2-170.1-170.0 52.2 86.3 47.5 12 108 A T S S+ 0 0 17 -2,-0.3 6,-0.0 1,-0.2 -3,-0.0 0.321 104.4 81.5 -96.5 4.8 49.7 88.7 49.1 13 109 A N S S+ 0 0 91 4,-0.1 -1,-0.2 240,-0.0 2,-0.1 0.437 82.8 70.3 -98.2 1.2 50.7 91.5 46.8 14 110 A G S > S- 0 0 12 -3,-0.4 4,-1.3 207,-0.2 5,-0.1 -0.331 90.4 -96.6-114.7-173.4 48.5 90.5 43.8 15 111 A Y H > S+ 0 0 34 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.791 113.9 64.0 -77.8 -32.0 45.0 90.3 42.6 16 112 A G H > S+ 0 0 1 -8,-0.4 4,-2.4 103,-0.3 -1,-0.2 0.901 104.5 50.7 -58.2 -38.8 44.5 86.6 43.4 17 113 A W H > S+ 0 0 7 2,-0.2 4,-2.9 -6,-0.2 -1,-0.2 0.925 110.3 45.4 -66.4 -51.4 44.9 87.7 47.1 18 114 A G H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.934 113.6 51.5 -54.3 -46.6 42.4 90.5 47.0 19 115 A I H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.926 111.5 49.1 -55.1 -42.8 40.0 88.1 45.2 20 116 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.901 107.2 52.7 -64.9 -45.0 40.7 85.6 48.0 21 117 A K H X S+ 0 0 49 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.892 108.8 50.6 -58.1 -41.1 40.1 88.1 50.8 22 118 A E H < S+ 0 0 27 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.751 106.7 53.9 -75.3 -24.2 36.7 89.0 49.3 23 119 A L H ><>S+ 0 0 0 -4,-1.2 3,-2.4 -3,-0.4 5,-0.9 0.910 101.4 58.3 -74.5 -40.7 35.6 85.5 49.0 24 120 A S H ><5S+ 0 0 4 -4,-2.0 3,-3.3 1,-0.3 -2,-0.2 0.891 93.2 68.7 -52.1 -41.2 36.3 84.7 52.7 25 121 A K T 3<5S+ 0 0 94 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.740 104.8 42.6 -47.2 -28.0 33.8 87.5 53.5 26 122 A R T < 5S- 0 0 87 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.239 120.5-110.1-104.2 10.8 31.2 85.1 52.1 27 123 A N T < 5 + 0 0 89 -3,-3.3 2,-0.6 1,-0.2 -25,-0.5 0.912 62.9 154.7 59.9 46.9 32.6 82.0 53.9 28 124 A V < - 0 0 2 -5,-0.9 -25,-0.2 -27,-0.1 -1,-0.2 -0.944 46.1-120.6-108.0 118.9 33.9 80.2 50.7 29 125 A K E -a 3 0A 35 -27,-1.8 -25,-3.2 -2,-0.6 2,-0.4 -0.271 29.7-146.0 -53.8 136.4 36.8 77.8 51.2 30 126 A I E -ac 4 65A 0 34,-1.4 36,-3.1 -27,-0.2 37,-1.1 -0.934 14.1-167.4-114.7 133.1 39.8 78.9 49.1 31 127 A I E -ac 5 67A 0 -27,-3.4 -25,-3.1 -2,-0.4 2,-0.4 -0.985 16.5-146.9-117.8 124.1 42.3 76.6 47.4 32 128 A F E -ac 6 68A 0 35,-2.4 37,-3.6 -2,-0.5 2,-0.6 -0.751 5.8-156.5 -96.0 130.3 45.5 78.3 46.1 33 129 A G E -ac 7 69A 0 -27,-3.5 -25,-2.6 -2,-0.4 -24,-1.2 -0.910 18.2-168.7-103.0 113.8 47.4 77.2 43.0 34 130 A I E -ac 9 70A 0 35,-3.6 37,-3.6 -2,-0.6 -24,-0.1 -0.884 29.3-112.1-111.1 130.4 51.0 78.3 43.2 35 131 A W > - 0 0 113 -26,-0.6 3,-2.6 -2,-0.5 4,-0.5 -0.419 36.7-123.8 -52.7 114.5 53.5 78.3 40.3 36 132 A P G >> S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.749 103.3 65.3 -40.1 -45.2 56.0 75.6 41.5 37 133 A P G 34 S+ 0 0 32 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.795 115.6 30.8 -51.9 -27.6 59.2 77.7 41.4 38 134 A V G <> S+ 0 0 42 -3,-2.6 4,-1.7 2,-0.1 -3,-0.1 0.352 94.8 92.7-114.0 7.6 57.8 79.9 44.2 39 135 A Y H <> S+ 0 0 45 -3,-1.5 4,-2.6 -4,-0.5 5,-0.2 0.916 88.7 43.4 -70.9 -47.9 55.6 77.4 46.2 40 136 A N H X S+ 0 0 45 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.917 114.9 51.1 -63.7 -41.4 58.2 76.3 48.8 41 137 A I H > S+ 0 0 93 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 111.5 49.5 -62.9 -36.2 59.3 79.8 49.2 42 138 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.885 108.8 49.8 -68.6 -43.1 55.5 80.6 49.7 43 139 A M H X S+ 0 0 46 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.871 107.0 57.5 -65.1 -35.4 55.0 77.9 52.3 44 140 A K H X S+ 0 0 127 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.983 110.2 42.0 -55.5 -60.8 58.0 79.2 54.1 45 141 A N H <>S+ 0 0 55 -4,-1.9 5,-1.8 1,-0.2 6,-0.5 0.840 115.3 52.2 -54.0 -38.8 56.5 82.7 54.5 46 142 A Y H ><5S+ 0 0 84 -4,-2.3 3,-1.5 1,-0.2 5,-0.3 0.970 112.3 43.7 -62.8 -52.2 53.2 81.1 55.3 47 143 A K H 3<5S+ 0 0 186 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.890 109.6 57.6 -58.8 -41.0 54.6 79.0 58.0 48 144 A N T 3<5S- 0 0 94 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.249 116.6-109.9 -79.7 11.6 56.7 81.9 59.4 49 145 A G T X 5S+ 0 0 28 -3,-1.5 3,-1.5 -5,-0.2 4,-0.5 0.472 76.3 133.6 78.5 5.0 53.6 84.0 60.0 50 146 A K T 3 S+ 0 0 14 -6,-0.5 4,-0.8 -5,-0.3 -1,-0.3 0.396 85.9 96.8-103.4 2.4 50.8 86.5 55.8 52 148 A D H X> S+ 0 0 66 -3,-1.5 3,-0.9 1,-0.2 4,-0.5 0.910 86.1 45.6 -64.1 -43.1 49.0 86.6 59.1 53 149 A N H >4 S+ 0 0 136 -4,-0.5 3,-0.9 1,-0.2 -1,-0.2 0.906 114.0 50.8 -60.3 -40.0 48.4 90.3 59.1 54 150 A D H 34 S+ 0 0 65 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.607 101.6 64.3 -74.4 -9.8 47.3 90.1 55.5 55 151 A M H << S+ 0 0 2 -3,-0.9 8,-1.6 -4,-0.8 2,-0.3 0.573 71.5 112.8 -95.7 -13.5 44.9 87.3 56.3 56 152 A I E << -G 62 0B 74 -3,-0.9 2,-1.0 -4,-0.5 6,-0.2 -0.448 53.3-157.3 -61.7 121.4 42.5 89.2 58.6 57 153 A I E > -G 61 0B 9 4,-2.4 4,-0.9 -2,-0.3 -1,-0.1 -0.897 37.5-121.6 -92.7 95.2 39.1 89.7 57.1 58 154 A D T 4 S+ 0 0 137 -2,-1.0 2,-1.6 1,-0.2 3,-0.3 0.475 97.6 75.6 -1.4 -81.9 38.5 92.7 59.4 59 155 A K T 4 S- 0 0 98 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 -0.195 121.6 -79.2 -48.8 77.2 35.4 91.4 61.2 60 156 A D T 4 S+ 0 0 166 -2,-1.6 2,-0.3 1,-0.1 -1,-0.2 0.632 97.1 112.9 33.5 46.8 37.0 88.8 63.5 61 157 A K E < -G 57 0B 104 -4,-0.9 -4,-2.4 -3,-0.3 2,-0.3 -0.982 59.2-136.0-144.4 134.4 37.5 86.0 61.0 62 158 A K E -G 56 0B 96 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.651 40.4 -95.6 -81.0 144.4 40.7 84.6 59.7 63 159 A M - 0 0 6 -8,-1.6 2,-1.3 -2,-0.3 -1,-0.1 -0.492 39.6-134.4 -57.6 121.3 40.9 83.9 56.0 64 160 A N - 0 0 83 -2,-0.3 -34,-1.4 -36,-0.1 2,-0.5 -0.686 24.8-175.1 -89.6 87.7 40.0 80.2 55.7 65 161 A I E -c 30 0A 23 -2,-1.3 -34,-0.2 -36,-0.2 3,-0.1 -0.748 7.6-168.8 -78.4 125.8 42.5 78.8 53.3 66 162 A L E - 0 0 52 -36,-3.1 2,-0.3 -2,-0.5 -35,-0.2 0.857 64.4 -24.6 -80.9 -39.8 41.5 75.2 52.6 67 163 A D E -c 31 0A 41 -37,-1.1 -35,-2.4 2,-0.0 2,-0.4 -0.977 49.0-139.1-168.7 155.0 44.8 74.1 50.9 68 164 A M E -c 32 0A 12 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.997 28.9-172.8-126.3 134.7 47.7 75.5 48.9 69 165 A L E -c 33 0A 18 -37,-3.6 -35,-3.6 -2,-0.4 2,-0.3 -0.970 30.7-111.9-134.4 142.9 48.9 73.5 46.0 70 166 A P E +c 34 0A 13 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.592 46.3 173.5 -66.5 132.2 51.7 73.5 43.5 71 167 A F - 0 0 5 -37,-3.6 2,-0.5 -2,-0.3 27,-0.2 -0.948 21.0-166.6-151.2 121.8 50.2 74.4 40.1 72 168 A D > - 0 0 4 25,-3.3 3,-1.3 -2,-0.3 27,-0.4 -0.928 9.1-159.8-119.3 115.2 51.8 75.1 36.7 73 169 A A T 3 S+ 0 0 13 -2,-0.5 78,-0.1 1,-0.2 79,-0.1 0.288 85.8 64.2 -74.5 9.3 49.7 76.6 33.9 74 170 A S T 3 S+ 0 0 30 1,-0.1 2,-0.5 73,-0.0 -1,-0.2 0.609 93.1 62.0-109.4 -16.9 52.0 75.5 31.1 75 171 A F < - 0 0 18 -3,-1.3 24,-1.9 22,-0.2 -3,-0.2 -0.954 56.3-173.7-112.2 130.8 51.6 71.7 31.5 76 172 A D + 0 0 30 -2,-0.5 24,-3.0 22,-0.2 25,-0.4 0.885 67.3 3.6 -86.7 -44.1 48.2 70.1 31.0 77 173 A T S > S- 0 0 16 22,-0.2 3,-1.9 23,-0.2 -1,-0.2 -0.836 84.2 -87.1-140.4 169.4 48.9 66.5 32.0 78 174 A A G > S+ 0 0 53 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.929 124.0 50.1 -44.3 -58.6 51.6 64.2 33.3 79 175 A N G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.498 92.1 77.1 -68.8 -0.5 53.1 63.5 29.9 80 176 A D G < S+ 0 0 69 -3,-1.9 2,-0.7 2,-0.1 -1,-0.3 0.396 73.6 111.5 -81.1 5.5 53.2 67.2 29.0 81 177 A I < - 0 0 46 -3,-1.6 5,-0.0 -4,-0.1 -6,-0.0 -0.700 60.6-147.7 -95.2 110.3 56.3 67.2 31.3 82 178 A D - 0 0 75 -2,-0.7 3,-0.4 1,-0.1 4,-0.4 -0.209 24.3-111.5 -70.3 166.5 59.7 67.9 29.6 83 179 A E S S+ 0 0 107 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.363 110.6 58.7 -97.8 7.6 62.8 66.3 31.0 84 180 A E S > S+ 0 0 125 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.582 105.4 53.7 -93.9 -21.4 64.7 69.3 32.3 85 181 A T T 4 S+ 0 0 18 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.602 102.0 57.6 -83.6 -14.5 61.7 69.9 34.5 86 182 A K T 4 S+ 0 0 137 -4,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.818 117.9 35.5 -66.0 -36.0 62.2 66.3 35.5 87 183 A N T 4 S+ 0 0 108 -4,-0.2 -2,-0.2 4,-0.0 -3,-0.1 0.717 87.9 120.4 -89.3 -27.8 65.7 67.7 36.5 88 184 A N X - 0 0 50 -4,-1.8 4,-2.6 1,-0.1 3,-0.3 -0.163 63.1-132.8 -61.4 129.2 65.0 71.2 37.8 89 185 A K H > S+ 0 0 157 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.860 105.4 45.3 -33.2 -53.3 65.9 72.1 41.4 90 186 A R H 4 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.1 -50,-0.1 0.858 117.6 37.8 -71.1 -42.9 62.5 73.7 42.0 91 187 A Y H >4 S+ 0 0 19 -3,-0.3 3,-1.8 1,-0.1 -1,-0.2 0.736 96.1 85.2 -84.3 -26.6 60.1 71.1 40.5 92 188 A N H 3< S+ 0 0 94 -4,-2.6 2,-0.4 1,-0.3 -1,-0.1 0.888 90.3 43.6 -37.7 -68.6 62.1 68.0 41.6 93 189 A M T 3< S+ 0 0 113 -4,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.034 106.8 83.8 -77.2 29.5 60.7 67.6 45.1 94 190 A L < - 0 0 20 -3,-1.8 2,-0.3 -2,-0.4 3,-0.1 -0.989 52.8-178.2-136.1 148.2 57.1 68.3 43.8 95 191 A Q + 0 0 135 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.926 58.1 27.1-138.8 161.3 54.4 66.2 42.1 96 192 A N S S+ 0 0 68 -2,-0.3 9,-0.2 1,-0.1 -1,-0.1 0.832 70.8 133.6 60.4 35.9 50.9 66.5 40.7 97 193 A Y + 0 0 14 4,-0.1 -25,-3.3 -3,-0.1 -22,-0.2 0.428 36.1 102.0-100.8 0.4 51.3 70.1 39.7 98 194 A T S > S- 0 0 0 -27,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.357 86.6-105.0 -75.8 165.3 49.9 69.9 36.1 99 195 A I H > S+ 0 0 0 -24,-1.9 4,-2.2 -27,-0.4 5,-0.2 0.940 121.6 42.4 -61.3 -52.6 46.3 71.2 35.4 100 196 A E H > S+ 0 0 66 -24,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.869 115.2 54.6 -60.8 -34.8 44.7 67.7 35.1 101 197 A D H > S+ 0 0 35 -25,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.912 110.8 41.0 -66.6 -45.7 46.8 66.7 38.1 102 198 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.782 111.8 57.5 -76.7 -26.0 45.6 69.4 40.4 103 199 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.928 113.9 39.4 -62.1 -43.5 42.1 69.1 39.2 104 200 A N H X S+ 0 0 78 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.912 114.1 52.4 -74.1 -44.3 42.2 65.4 40.2 105 201 A L H X S+ 0 0 31 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.946 114.9 43.0 -52.8 -53.6 44.1 66.1 43.4 106 202 A I H X>S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.5 0.949 114.8 49.8 -56.8 -54.5 41.5 68.7 44.5 107 203 A H H X5S+ 0 0 67 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.842 111.7 49.4 -51.8 -41.8 38.6 66.5 43.3 108 204 A Q H <5S+ 0 0 152 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 117.4 38.3 -69.0 -38.9 40.0 63.6 45.3 109 205 A K H <5S+ 0 0 114 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.783 137.2 10.5 -82.7 -32.0 40.5 65.5 48.5 110 206 A Y H <5S- 0 0 81 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.412 88.7-140.8-135.1 -5.1 37.4 67.7 48.5 111 207 A G << + 0 0 23 -4,-1.7 -1,-0.3 -5,-0.5 -2,-0.1 -0.402 61.9 14.2 74.2-151.4 34.9 66.6 45.8 112 208 A K - 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