==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-AUG-10 3AM5 . COMPND 2 MOLECULE: ENOYL-ACP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR K.MAITY,T.BANERJEE,P.NARAYANAPPA,N.SUROLIA,A.SUROLIA,K.SUGUN . 574 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 72.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 32.6 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 2 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 97 A E 0 0 163 0, 0.0 2,-0.4 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 134.0 29.5 74.3 50.7 2 98 A D - 0 0 64 25,-0.4 27,-2.6 111,-0.1 2,-0.4 -0.799 360.0-173.3 -97.6 137.2 31.3 76.4 48.1 3 99 A I E -a 29 0A 9 -2,-0.4 111,-1.8 25,-0.2 112,-1.4 -0.997 1.4-169.3-129.4 129.4 34.9 75.5 47.1 4 100 A C E -ab 30 115A 0 25,-2.9 27,-2.5 -2,-0.4 2,-0.6 -0.976 12.0-151.6-117.8 127.5 37.0 77.7 44.8 5 101 A F E -ab 31 116A 0 110,-2.1 112,-2.9 -2,-0.5 2,-0.6 -0.869 13.0-163.2 -90.1 124.5 40.4 76.7 43.2 6 102 A I E -ab 32 117A 0 25,-3.2 27,-3.0 -2,-0.6 2,-0.6 -0.928 1.6-162.9-112.2 107.6 42.5 79.8 42.7 7 103 A A E +ab 33 118A 0 110,-3.0 112,-2.8 -2,-0.6 27,-0.1 -0.822 67.2 39.2 -93.5 114.9 45.4 79.2 40.2 8 104 A G + 0 0 27 25,-2.4 2,-0.4 -2,-0.6 8,-0.4 0.805 63.1 140.9 113.4 54.1 48.1 81.8 40.4 9 105 A I + 0 0 6 24,-1.4 26,-0.3 -3,-0.2 -1,-0.3 -0.991 5.1 155.7-119.3 128.8 48.9 83.0 44.0 10 106 A G S S- 0 0 31 -2,-0.4 2,-0.2 1,-0.4 -1,-0.1 0.483 71.3 -19.4-124.7 -16.7 52.6 83.6 44.8 11 107 A D S S- 0 0 40 34,-0.0 -1,-0.4 40,-0.0 3,-0.4 -0.865 80.0 -81.4-172.0-165.4 52.4 86.0 47.7 12 108 A T S S+ 0 0 16 -2,-0.2 209,-0.0 1,-0.2 -3,-0.0 0.358 106.5 77.9-103.6 6.5 49.8 88.4 49.2 13 109 A N S S+ 0 0 96 4,-0.1 -1,-0.2 238,-0.0 2,-0.1 0.356 80.3 75.2 -97.9 0.5 50.4 91.3 46.8 14 110 A G S > S- 0 0 14 -3,-0.4 4,-1.3 207,-0.1 3,-0.1 -0.414 92.1 -96.7-104.7-176.3 48.5 90.2 43.6 15 111 A Y H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.826 115.1 67.1 -69.9 -31.3 44.9 89.8 42.5 16 112 A G H > S+ 0 0 2 -8,-0.4 4,-2.4 103,-0.2 -1,-0.2 0.915 102.7 46.1 -56.2 -45.5 44.7 86.1 43.5 17 113 A W H > S+ 0 0 6 2,-0.2 4,-3.1 -6,-0.2 -1,-0.2 0.928 110.7 51.6 -63.2 -46.5 45.0 87.0 47.2 18 114 A G H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.868 111.8 47.7 -59.5 -38.5 42.4 89.8 47.0 19 115 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.911 111.1 51.0 -66.3 -45.8 40.0 87.4 45.3 20 116 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.945 110.3 50.5 -54.7 -48.6 40.8 84.8 48.0 21 117 A K H X S+ 0 0 46 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.911 112.6 45.2 -54.9 -50.8 40.1 87.4 50.8 22 118 A E H X S+ 0 0 8 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.879 112.4 49.5 -66.7 -40.4 36.8 88.4 49.3 23 119 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.7 0.887 106.6 58.7 -63.0 -38.1 35.5 84.9 48.7 24 120 A S H ><5S+ 0 0 5 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.856 97.2 60.8 -57.9 -42.8 36.5 84.0 52.3 25 121 A K H 3<5S+ 0 0 93 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.833 104.1 49.7 -46.2 -41.9 34.2 86.8 53.5 26 122 A R T <<5S- 0 0 86 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.132 123.3-106.5 -92.1 22.2 31.4 84.8 51.9 27 123 A N T < 5 + 0 0 119 -3,-1.9 -25,-0.4 1,-0.2 2,-0.4 0.768 65.5 155.8 58.1 32.5 32.5 81.5 53.6 28 124 A V < - 0 0 6 -5,-1.9 2,-0.3 -8,-0.1 36,-0.2 -0.718 44.5-124.2 -85.1 134.1 33.9 80.0 50.4 29 125 A K E -a 3 0A 72 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.4 -0.695 30.5-146.1 -78.5 135.3 36.6 77.4 51.0 30 126 A I E -ac 4 65A 0 34,-0.8 36,-2.0 -2,-0.3 37,-1.2 -0.890 19.3-173.3-115.8 131.5 39.8 78.3 49.1 31 127 A I E -ac 5 67A 0 -27,-2.5 -25,-3.2 -2,-0.4 2,-0.4 -0.989 17.9-147.1-118.6 124.0 42.4 76.1 47.5 32 128 A F E -ac 6 68A 0 35,-2.4 37,-2.7 -2,-0.5 2,-0.6 -0.745 3.8-154.8 -91.8 135.6 45.6 77.8 46.1 33 129 A G E -ac 7 69A 0 -27,-3.0 -25,-2.4 -2,-0.4 -24,-1.4 -0.956 21.6-165.8-103.4 118.8 47.5 76.6 43.0 34 130 A I E - c 0 70A 0 35,-3.2 37,-2.7 -2,-0.6 5,-0.2 -0.923 25.6-113.1-116.7 128.6 51.0 77.8 43.4 35 131 A W >> - 0 0 107 -2,-0.5 3,-2.2 -26,-0.3 4,-0.7 -0.338 31.7-127.3 -55.6 124.7 53.7 77.9 40.7 36 132 A P H >> S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.880 103.7 63.8 -53.3 -43.5 56.3 75.3 41.7 37 133 A P H 34 S+ 0 0 47 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.756 118.5 28.2 -48.8 -26.9 59.3 77.6 41.5 38 134 A V H <> S+ 0 0 41 -3,-2.2 4,-2.3 2,-0.1 5,-0.2 0.303 94.3 98.7-115.6 6.6 57.8 79.7 44.3 39 135 A Y H S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.913 111.9 51.6 -67.5 -37.7 59.1 80.0 49.6 42 138 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 110.5 47.1 -59.8 -48.2 55.4 80.6 49.8 43 139 A M H X S+ 0 0 21 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.911 112.7 50.9 -62.5 -39.8 54.9 77.7 52.3 44 140 A K H X S+ 0 0 137 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.949 111.4 45.8 -60.9 -53.3 57.8 78.9 54.3 45 141 A N H <>S+ 0 0 37 -4,-2.9 5,-2.5 1,-0.2 6,-0.5 0.895 113.6 51.2 -56.4 -41.4 56.4 82.5 54.5 46 142 A Y H ><5S+ 0 0 69 -4,-2.6 3,-1.6 -5,-0.2 -2,-0.2 0.957 112.6 44.4 -62.3 -50.9 53.0 81.2 55.4 47 143 A K H 3<5S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.910 109.5 56.3 -60.9 -43.7 54.4 78.9 58.2 48 144 A N T 3<5S- 0 0 125 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.435 118.0-115.1 -68.0 3.7 56.6 81.8 59.5 49 145 A G T X 5S+ 0 0 21 -3,-1.6 3,-1.3 -5,-0.2 4,-0.4 0.620 71.7 138.9 73.3 13.3 53.4 83.9 59.8 50 146 A K T 3 S+ 0 0 3 -6,-0.5 4,-1.2 -5,-0.2 -1,-0.2 0.415 82.5 103.7 -98.9 -0.6 50.8 86.5 55.8 52 148 A D T X4 S+ 0 0 82 -3,-1.3 3,-0.6 1,-0.3 4,-0.3 0.871 83.6 44.1 -54.7 -47.6 48.9 86.5 59.1 53 149 A N G >4 S+ 0 0 133 -4,-0.4 3,-1.1 1,-0.2 -1,-0.3 0.867 112.3 54.9 -63.7 -36.2 48.0 90.2 59.0 54 150 A D G 34 S+ 0 0 59 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.676 101.1 60.6 -72.1 -17.2 47.0 89.8 55.3 55 151 A M G << S+ 0 0 4 -4,-1.2 8,-2.6 -3,-0.6 2,-0.4 0.517 76.4 109.3 -88.1 -6.4 44.6 87.0 56.2 56 152 A I B < +G 62 0B 86 -3,-1.1 6,-0.2 -4,-0.3 3,-0.1 -0.579 38.0 177.3 -76.3 123.9 42.4 89.0 58.5 57 153 A I - 0 0 23 4,-2.2 2,-0.3 -2,-0.4 5,-0.2 0.865 62.3 -62.0 -86.7 -46.8 39.0 89.6 57.0 58 154 A D S S- 0 0 84 3,-2.0 -1,-0.4 1,-0.1 0, 0.0 -0.968 70.5 -50.2-176.0-175.7 37.8 91.5 60.2 59 155 A K S S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.847 134.4 39.7 -33.7 -52.5 37.0 91.4 63.9 60 156 A D S S+ 0 0 67 1,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.991 114.3 40.3 -64.7 -65.5 35.0 88.2 63.2 61 157 A K - 0 0 74 -36,-0.0 -4,-2.2 3,-0.0 -3,-2.0 -0.615 45.3-164.0-113.9 152.8 36.9 86.2 60.6 62 158 A K B -G 56 0B 134 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.2 -0.856 50.2 -88.3-112.1 149.9 40.3 85.0 59.4 63 159 A M - 0 0 2 -8,-2.6 2,-0.7 -2,-0.3 -42,-0.1 -0.429 38.7-144.9 -58.7 128.7 40.9 83.6 55.8 64 160 A N - 0 0 62 -36,-0.2 -34,-0.8 -2,-0.2 2,-0.7 -0.896 13.4-165.4 -95.1 116.9 40.2 79.9 55.9 65 161 A I E -c 30 0A 34 -2,-0.7 -34,-0.2 1,-0.2 3,-0.1 -0.912 7.8-169.6-105.4 115.6 42.6 78.2 53.5 66 162 A L E - 0 0 55 -36,-2.0 2,-0.3 -2,-0.7 -35,-0.2 0.947 65.8 -21.8 -65.6 -51.4 41.5 74.6 52.7 67 163 A D E -c 31 0A 36 -37,-1.2 -35,-2.4 2,-0.0 2,-0.4 -0.976 46.9-144.7-155.3 168.6 44.7 73.6 50.8 68 164 A M E +c 32 0A 13 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.974 27.6 177.0-142.6 118.9 47.8 74.9 49.0 69 165 A L E -c 33 0A 12 -37,-2.7 -35,-3.2 -2,-0.4 2,-0.2 -0.932 34.8-107.5-130.9 143.7 49.1 72.8 46.1 70 166 A P E +c 34 0A 12 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.520 43.3 177.1 -69.4 140.5 51.9 73.2 43.5 71 167 A F - 0 0 6 -37,-2.7 2,-0.5 -2,-0.2 27,-0.2 -0.955 17.7-170.0-151.7 121.7 50.4 73.9 40.1 72 168 A D > - 0 0 2 25,-3.1 3,-1.4 -2,-0.3 27,-0.4 -0.960 8.3-164.1-121.0 115.7 52.1 74.6 36.8 73 169 A A T 3 S+ 0 0 11 -2,-0.5 78,-0.1 1,-0.3 -1,-0.1 0.484 82.8 76.0 -78.1 -5.3 49.9 75.9 34.0 74 170 A S T 3 S+ 0 0 32 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.712 92.4 61.4 -68.0 -25.3 52.7 75.1 31.4 75 171 A F < - 0 0 20 -3,-1.4 24,-2.6 22,-0.2 -3,-0.2 -0.939 54.0-174.6-120.8 120.2 51.8 71.3 31.6 76 172 A D S S+ 0 0 35 -2,-0.5 24,-2.6 22,-0.2 2,-0.3 0.911 75.5 2.1 -75.0 -46.4 48.5 69.6 30.8 77 173 A T S > S- 0 0 26 22,-0.2 3,-2.3 23,-0.1 4,-0.4 -0.860 82.9 -92.2-137.7 170.3 49.4 66.1 32.0 78 174 A A G > S+ 0 0 57 1,-0.3 3,-1.2 -2,-0.3 -1,-0.0 0.845 120.6 62.0 -51.4 -39.8 52.2 64.2 33.6 79 175 A N G 3 S+ 0 0 156 1,-0.2 -1,-0.3 -4,-0.0 -4,-0.0 0.626 91.6 67.9 -61.5 -14.4 53.6 63.3 30.1 80 176 A D G < S+ 0 0 77 -3,-2.3 2,-0.4 2,-0.1 -1,-0.2 0.693 72.3 102.6 -87.7 -15.8 54.1 66.9 29.3 81 177 A I < - 0 0 30 -3,-1.2 2,-0.1 -4,-0.4 -6,-0.0 -0.547 65.1-141.5 -73.4 122.1 57.0 67.6 31.7 82 178 A D >> - 0 0 77 -2,-0.4 4,-2.2 1,-0.1 3,-1.2 -0.374 23.9-107.6 -73.4 158.6 60.4 67.7 30.0 83 179 A E H 3> S+ 0 0 35 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.873 116.0 61.4 -54.4 -47.3 63.5 66.3 31.7 84 180 A E H 34 S+ 0 0 77 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.744 110.4 42.1 -53.5 -28.3 65.1 69.7 32.5 85 181 A T H X4 S+ 0 0 21 -3,-1.2 3,-1.5 2,-0.2 6,-0.3 0.911 111.6 52.5 -85.0 -51.0 62.0 70.4 34.6 86 182 A K H 3< S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.866 114.8 45.6 -41.9 -44.2 61.9 67.0 36.2 87 183 A N T 3< S+ 0 0 81 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.545 89.3 119.0 -80.1 -10.6 65.6 67.6 37.1 88 184 A N X> - 0 0 69 -3,-1.5 4,-2.8 -5,-0.2 3,-1.0 -0.334 68.7-129.4 -67.8 139.5 65.0 71.1 38.3 89 185 A K T 34 S+ 0 0 85 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.846 108.1 44.2 -49.8 -43.1 65.9 72.0 42.0 90 186 A R T 34 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.1 -50,-0.2 0.603 120.8 39.5 -87.0 -10.0 62.5 73.5 42.7 91 187 A Y T X4 S+ 0 0 21 -3,-1.0 3,-2.6 -6,-0.3 -2,-0.2 0.746 94.7 75.0-103.3 -36.3 60.4 70.8 40.9 92 188 A N T 3< S+ 0 0 83 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.784 97.6 51.0 -55.6 -29.9 62.2 67.5 41.8 93 189 A M T 3 S+ 0 0 132 -4,-0.5 -1,-0.3 -5,-0.2 2,-0.3 0.299 105.8 68.9 -88.0 6.8 60.7 67.6 45.4 94 190 A L < - 0 0 23 -3,-2.6 2,-0.3 3,-0.0 3,-0.1 -0.841 59.4-174.5-124.7 162.6 57.2 68.2 44.2 95 191 A Q + 0 0 136 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.969 54.8 31.4-150.5 165.0 54.6 66.1 42.4 96 192 A N S S+ 0 0 81 -2,-0.3 9,-0.1 1,-0.1 -1,-0.1 0.867 70.1 133.3 56.2 45.1 51.1 66.0 40.8 97 193 A Y + 0 0 15 -3,-0.1 -25,-3.1 4,-0.1 -22,-0.2 0.321 31.1 106.8-111.8 3.3 51.4 69.7 39.7 98 194 A T S > S- 0 0 0 -27,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.420 85.9-103.8 -74.7 162.6 50.2 69.4 36.1 99 195 A I H > S+ 0 0 0 -24,-2.6 4,-2.1 -27,-0.4 -23,-0.2 0.914 121.9 43.7 -56.5 -49.9 46.7 70.8 35.3 100 196 A E H > S+ 0 0 66 -24,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.932 113.4 51.7 -60.7 -45.3 45.1 67.3 35.1 101 197 A D H > S+ 0 0 26 -25,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.877 109.6 49.7 -61.7 -39.9 47.0 66.0 38.2 102 198 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.946 110.5 49.2 -65.9 -46.0 45.8 69.0 40.2 103 199 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.940 114.3 46.5 -54.2 -47.8 42.1 68.5 39.1 104 200 A N H X S+ 0 0 88 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.900 113.3 48.8 -62.8 -41.5 42.4 64.8 40.0 105 201 A L H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.914 112.8 46.0 -64.4 -49.1 44.0 65.5 43.4 106 202 A I H X>S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.6 0.919 114.1 49.1 -61.1 -43.4 41.4 68.2 44.4 107 203 A H H X5S+ 0 0 68 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.917 113.0 47.4 -65.1 -40.1 38.6 66.0 43.3 108 204 A Q H <5S+ 0 0 161 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.894 120.1 37.1 -68.0 -43.4 40.0 63.0 45.3 109 205 A K H <5S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.901 137.6 11.6 -74.5 -40.9 40.7 65.0 48.5 110 206 A Y H <5S- 0 0 69 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.476 91.3-131.6-123.7 -7.2 37.6 67.3 48.5 111 207 A G << - 0 0 26 -4,-1.8 -1,-0.3 -5,-0.6 -2,-0.1 -0.470 62.1 -4.2 86.0-159.1 35.1 66.2 45.9 112 208 A K - 0 0 94 -2,-0.1 2,-0.2 -4,-0.1 48,-0.2 -0.387 62.6-156.2 -76.1 146.0 33.4 68.5 43.4 113 209 A I E - d 0 160A 1 46,-2.6 48,-1.9 43,-0.2 -109,-0.1 -0.693 12.4-159.1-113.9 169.2 34.0 72.2 43.4 114 210 A N E + 0 0 30 -111,-1.8 51,-1.6 -2,-0.2 2,-0.3 0.351 69.2 57.6-132.6 8.3 31.9 75.0 42.0 115 211 A M E -bd 4 165A 8 -112,-1.4 -110,-2.1 49,-0.2 2,-0.4 -0.997 53.4-175.7-144.6 136.5 34.3 78.0 41.5 116 212 A L E -bd 5 166A 0 49,-1.9 51,-2.2 -2,-0.3 2,-0.5 -0.999 3.6-168.4-137.8 129.2 37.4 78.4 39.4 117 213 A V E -bd 6 167A 0 -112,-2.9 -110,-3.0 -2,-0.4 2,-0.7 -0.978 8.1-163.3-123.4 120.6 39.8 81.4 39.2 118 214 A H E +bd 7 168A 0 49,-3.0 51,-0.6 -2,-0.5 -110,-0.1 -0.905 23.9 159.3 -95.0 111.9 42.5 81.7 36.6 119 215 A S + 0 0 16 -112,-2.8 2,-0.3 -2,-0.7 -103,-0.2 -0.433 37.0 96.3-133.1 58.7 44.8 84.4 38.0 120 216 A L + 0 0 36 49,-0.1 2,-0.3 25,-0.1 49,-0.2 -0.988 35.2 168.4-149.8 154.7 48.1 83.9 36.2 121 217 A A + 0 0 44 -2,-0.3 2,-0.3 27,-0.0 24,-0.1 -0.954 3.5 177.7-162.3 152.4 50.2 85.0 33.2 122 218 A N + 0 0 65 19,-0.3 23,-0.3 -2,-0.3 2,-0.2 -0.965 7.9 170.0-156.6 154.7 53.7 84.6 32.0 123 219 A A > - 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