==== 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 30-OCT-06 2NQ8 . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.S.FREUNDLICH,M.YU,E.LUCUMI,M.KUO,H.C.TSAI,J.C.VALDERRAMOS, . 578 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 3 0.5 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 . 80 13.8 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 . 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 2 0 0 0 1 2 4 5 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 177 0, 0.0 2,-0.5 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -0.0 30.7 75.4 51.7 2 98 A D - 0 0 64 25,-0.4 27,-3.0 24,-0.2 2,-0.4 -0.862 360.0-157.1-100.0 133.7 31.8 77.1 48.5 3 99 A I E -a 29 0A 18 -2,-0.5 111,-1.5 25,-0.2 112,-1.4 -0.921 5.3-165.2-114.3 136.6 35.4 76.3 47.4 4 100 A C E -ab 30 115A 0 25,-3.0 27,-2.4 -2,-0.4 2,-0.6 -0.972 10.0-150.8-124.0 130.7 37.4 78.5 45.1 5 101 A F E -ab 31 116A 1 110,-2.5 112,-2.8 -2,-0.4 2,-0.7 -0.881 10.7-163.4 -99.3 119.8 40.6 77.6 43.3 6 102 A I E -ab 32 117A 0 25,-3.0 27,-3.1 -2,-0.6 2,-0.6 -0.893 5.4-165.3-104.7 107.6 42.9 80.6 42.7 7 103 A A E +ab 33 118A 0 110,-2.9 112,-2.9 -2,-0.7 27,-0.1 -0.826 60.8 43.4 -95.3 120.7 45.5 79.8 40.1 8 104 A G E + 0 0 16 25,-2.1 2,-0.3 -2,-0.6 8,-0.3 0.704 67.8 137.3 111.2 82.6 48.4 82.3 40.0 9 105 A I E +a 34 0A 19 24,-0.7 26,-0.9 7,-0.1 -1,-0.1 -0.973 17.7 152.2-150.9 159.7 50.0 83.5 43.2 10 106 A G S S+ 0 0 28 1,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.278 75.0 3.4-159.1 -28.1 53.4 84.2 44.7 11 107 A D S S- 0 0 33 40,-0.0 -1,-0.6 0, 0.0 3,-0.5 -0.873 73.8 -97.5-153.3-175.0 52.7 86.9 47.3 12 108 A T S S+ 0 0 15 -2,-0.3 -3,-0.0 1,-0.2 209,-0.0 0.212 104.8 76.4 -98.5 13.6 50.1 89.0 49.0 13 109 A N S S+ 0 0 89 4,-0.1 -1,-0.2 206,-0.0 2,-0.1 0.308 82.0 82.5-105.0 8.0 50.6 92.1 46.8 14 110 A G S > S- 0 0 12 -3,-0.5 4,-1.2 207,-0.1 206,-0.1 -0.342 91.5-102.3-102.3-174.3 48.8 90.7 43.8 15 111 A Y H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.813 113.3 68.4 -77.7 -31.9 45.2 90.5 42.7 16 112 A G H > S+ 0 0 0 -8,-0.3 4,-2.5 103,-0.2 -1,-0.2 0.924 103.5 45.0 -52.2 -46.6 44.9 86.8 43.6 17 113 A W H > S+ 0 0 5 -6,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.931 110.8 52.2 -64.7 -46.9 45.2 87.8 47.3 18 114 A G H X S+ 0 0 0 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.882 112.4 46.6 -58.0 -37.1 42.8 90.7 47.0 19 115 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.924 112.3 51.2 -69.0 -43.2 40.3 88.3 45.4 20 116 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.870 108.5 51.2 -61.2 -40.4 41.0 85.8 48.2 21 117 A K H X S+ 0 0 41 -4,-3.1 4,-0.6 2,-0.2 -1,-0.2 0.942 112.4 45.2 -64.6 -46.7 40.5 88.3 50.9 22 118 A E H >X S+ 0 0 9 -4,-1.8 3,-1.2 1,-0.2 4,-0.6 0.891 109.4 54.3 -64.7 -42.2 37.1 89.4 49.5 23 119 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.3 3,-1.0 0.830 99.2 64.4 -61.3 -30.5 35.8 85.9 48.9 24 120 A S H ><5S+ 0 0 6 -4,-1.4 3,-1.8 1,-0.3 -1,-0.3 0.804 90.0 66.1 -62.9 -27.4 36.6 85.2 52.6 25 121 A K H <<5S+ 0 0 47 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.864 103.4 45.3 -60.9 -35.1 33.9 87.7 53.5 26 122 A R T <<5S- 0 0 91 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.260 120.6-116.1 -90.2 10.2 31.4 85.3 51.9 27 123 A N T < 5 + 0 0 94 -3,-1.8 -25,-0.4 1,-0.2 2,-0.3 0.843 57.5 160.1 59.4 39.2 33.2 82.5 53.8 28 124 A V < - 0 0 2 -5,-1.6 2,-0.3 -8,-0.1 36,-0.3 -0.725 42.6-118.3 -91.2 142.3 34.3 80.6 50.7 29 125 A K E -a 3 0A 64 -27,-3.0 -25,-3.0 -2,-0.3 2,-0.4 -0.614 30.6-146.0 -77.9 138.7 37.2 78.2 51.2 30 126 A I E -ac 4 65A 0 34,-1.9 36,-2.2 -2,-0.3 37,-1.2 -0.890 16.3-170.7-113.9 139.1 40.3 79.1 49.2 31 127 A I E -ac 5 67A 0 -27,-2.4 -25,-3.0 -2,-0.4 2,-0.4 -0.997 18.2-146.0-124.0 123.3 42.9 76.9 47.5 32 128 A F E -ac 6 68A 0 35,-2.7 37,-3.1 -2,-0.4 2,-0.7 -0.772 4.3-153.7 -96.3 133.5 46.0 78.6 46.1 33 129 A G E -ac 7 69A 0 -27,-3.1 -25,-2.1 -2,-0.4 -24,-0.7 -0.909 21.3-167.4-102.8 112.2 47.8 77.4 43.0 34 130 A I E -ac 9 70A 0 35,-3.3 37,-3.7 -2,-0.7 5,-0.1 -0.876 28.1-111.1-109.3 133.9 51.4 78.5 43.3 35 131 A W >> - 0 0 118 -26,-0.9 3,-2.8 -2,-0.4 4,-0.6 -0.426 33.4-125.8 -59.6 115.6 54.0 78.5 40.5 36 132 A P H >> S+ 0 0 1 0, 0.0 3,-2.2 0, 0.0 4,-0.6 0.778 103.5 67.7 -29.2 -56.9 56.5 75.7 41.6 37 133 A P H 34 S+ 0 0 35 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.775 116.6 25.5 -41.0 -35.3 59.6 78.0 41.4 38 134 A V H <> S+ 0 0 47 -3,-2.8 4,-2.1 2,-0.1 5,-0.2 0.319 93.6 101.6-115.8 8.9 58.3 80.0 44.3 39 135 A Y H S+ 0 0 84 1,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.877 112.5 52.8 -52.5 -36.1 59.7 80.0 49.6 42 138 A F H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.939 108.3 48.5 -64.6 -45.9 56.0 80.9 49.6 43 139 A M H X S+ 0 0 56 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.818 108.2 59.0 -61.7 -30.9 55.3 78.1 52.2 44 140 A K H X S+ 0 0 122 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.999 105.6 43.9 -60.7 -69.3 58.2 79.4 54.1 45 141 A N H <>S+ 0 0 43 -4,-2.1 5,-3.0 1,-0.2 6,-0.3 0.894 116.5 50.3 -39.7 -53.9 56.9 83.0 54.6 46 142 A Y H ><5S+ 0 0 86 -4,-2.2 3,-1.9 3,-0.2 -1,-0.2 0.931 111.8 45.0 -52.0 -55.2 53.5 81.4 55.4 47 143 A K H 3<5S+ 0 0 181 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.922 113.7 50.6 -56.8 -45.9 54.9 79.0 58.0 48 144 A N T 3<5S- 0 0 86 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.286 120.4-114.1 -77.0 10.6 57.0 81.7 59.5 49 145 A G T X 5 + 0 0 27 -3,-1.9 3,-1.0 -5,-0.3 4,-0.3 0.682 69.1 142.5 66.1 25.0 53.8 83.8 59.7 50 146 A K T 3 S+ 0 0 14 -6,-0.3 4,-0.7 -5,-0.2 -1,-0.2 0.406 78.2 103.2-109.7 2.0 51.2 86.6 55.9 52 148 A D H X> S+ 0 0 73 -3,-1.0 3,-0.7 1,-0.2 4,-0.6 0.865 85.5 45.2 -52.9 -43.3 49.3 86.7 59.2 53 149 A N H >4 S+ 0 0 130 -4,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.878 111.1 54.1 -69.2 -35.8 48.4 90.4 59.0 54 150 A D H 34 S+ 0 0 54 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.548 104.3 57.7 -75.2 -6.2 47.4 90.0 55.3 55 151 A M H << S+ 0 0 8 -4,-0.7 8,-2.1 -3,-0.7 2,-0.3 0.610 73.0 111.4 -98.3 -15.6 45.0 87.3 56.3 56 152 A I E << -G 62 0B 96 -3,-0.7 2,-0.3 -4,-0.6 6,-0.2 -0.453 64.7-139.7 -62.9 119.2 42.8 89.2 58.8 57 153 A I E >> -G 61 0B 6 4,-4.1 3,-2.0 -2,-0.3 4,-1.2 -0.615 17.5-117.1 -83.4 141.7 39.5 89.6 57.1 58 154 A D T 34 S+ 0 0 112 1,-0.3 2,-1.1 -2,-0.3 -1,-0.1 0.908 114.0 66.6 -37.6 -57.5 37.7 92.9 57.4 59 155 A K T 34 S- 0 0 113 1,-0.2 -1,-0.3 -3,-0.0 3,-0.1 0.279 125.8-101.0 -53.5 14.9 34.9 91.1 59.3 60 156 A D T <4 S+ 0 0 149 -3,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.985 87.3 121.9 58.8 55.5 37.4 90.4 62.1 61 157 A K E < -G 57 0B 101 -4,-1.2 -4,-4.1 -6,-0.1 2,-0.5 -0.908 66.5-107.8-140.7 166.4 37.9 86.9 60.8 62 158 A K E -G 56 0B 108 -2,-0.3 -6,-0.2 -6,-0.2 -10,-0.0 -0.876 39.7-107.7-103.3 128.9 40.9 84.8 59.6 63 159 A M - 0 0 6 -8,-2.1 2,-1.1 -2,-0.5 -42,-0.1 -0.327 33.1-131.8 -54.5 126.7 41.1 84.0 55.9 64 160 A N - 0 0 89 -36,-0.3 -34,-1.9 -40,-0.0 2,-0.9 -0.705 24.7-172.9 -89.3 94.5 40.3 80.3 55.5 65 161 A I E -c 30 0A 27 -2,-1.1 -34,-0.2 1,-0.2 3,-0.1 -0.776 7.6-172.3 -90.7 106.8 43.0 78.8 53.3 66 162 A L E - 0 0 46 -36,-2.2 2,-0.3 -2,-0.9 -35,-0.2 0.842 65.2 -26.4 -66.4 -33.8 42.0 75.2 52.6 67 163 A D E -c 31 0A 36 -37,-1.2 -35,-2.7 -3,-0.1 2,-0.5 -0.951 44.4-135.6-178.0 154.4 45.3 74.5 50.9 68 164 A M E -c 32 0A 7 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.989 32.5-179.4-118.9 126.5 48.4 75.7 49.0 69 165 A L E -c 33 0A 16 -37,-3.1 -35,-3.3 -2,-0.5 2,-0.2 -0.976 33.6-109.4-134.0 144.2 49.5 73.6 46.0 70 166 A P E +c 34 0A 9 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.516 45.5 176.4 -68.2 130.4 52.3 73.7 43.4 71 167 A F - 0 0 5 -37,-3.7 2,-0.5 -2,-0.2 27,-0.2 -0.988 19.9-171.3-143.2 127.5 50.7 74.6 40.1 72 168 A D B > -h 98 0C 7 25,-3.1 3,-1.8 -2,-0.4 27,-0.6 -0.912 8.7-163.3-125.1 107.6 52.2 75.3 36.7 73 169 A A T 3 S+ 0 0 9 -2,-0.5 78,-0.1 1,-0.3 79,-0.1 0.344 84.0 71.0 -69.0 6.7 49.9 76.6 34.0 74 170 A S T 3 S+ 0 0 32 1,-0.1 2,-0.5 73,-0.0 -1,-0.3 0.520 90.3 66.1-100.0 -6.8 52.4 75.7 31.2 75 171 A F < - 0 0 14 -3,-1.8 24,-2.4 22,-0.2 25,-0.2 -0.966 54.8-174.1-119.9 120.0 51.8 71.9 31.6 76 172 A D S S- 0 0 33 -2,-0.5 24,-2.0 22,-0.2 2,-0.3 0.890 73.9 -3.9 -76.4 -42.2 48.4 70.4 30.7 77 173 A T S > S- 0 0 12 22,-0.2 3,-1.5 23,-0.1 4,-0.3 -0.892 79.6 -93.1-143.6 173.1 49.3 66.9 32.0 78 174 A A G > S+ 0 0 49 -2,-0.3 3,-1.5 1,-0.3 -1,-0.0 0.855 120.5 59.7 -59.5 -36.5 52.2 64.9 33.4 79 175 A N G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -4,-0.0 -4,-0.0 0.661 94.8 64.7 -68.9 -12.9 53.2 63.7 29.9 80 176 A D G < S+ 0 0 70 -3,-1.5 -1,-0.3 2,-0.1 2,-0.3 0.602 77.3 112.1 -82.6 -11.7 53.7 67.3 28.8 81 177 A I < - 0 0 29 -3,-1.5 2,-0.2 -4,-0.3 -6,-0.0 -0.456 59.4-145.4 -67.8 125.8 56.5 67.6 31.3 82 178 A D > - 0 0 72 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.572 19.8-110.3 -94.9 158.1 60.0 68.0 29.7 83 179 A E H > S+ 0 0 130 1,-0.2 4,-0.6 2,-0.2 5,-0.2 0.849 109.5 58.6 -49.1 -51.5 63.4 66.8 30.8 84 180 A E H >4 S+ 0 0 154 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.887 114.1 37.4 -51.6 -46.3 65.0 70.2 31.7 85 181 A T H >4 S+ 0 0 25 -3,-0.5 3,-0.9 2,-0.2 6,-0.3 0.880 107.0 65.5 -73.7 -38.4 62.3 70.9 34.3 86 182 A K H 3< S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.634 113.9 35.5 -57.6 -11.1 62.2 67.3 35.3 87 183 A N T << S+ 0 0 120 -4,-0.6 -1,-0.3 -3,-0.6 2,-0.3 0.452 89.5 124.9-116.1 -11.8 65.8 68.1 36.4 88 184 A N X> - 0 0 66 -3,-0.9 3,-3.4 -4,-0.4 4,-1.6 -0.347 66.1-131.7 -58.9 116.6 65.1 71.6 37.6 89 185 A K T 34 S+ 0 0 152 1,-0.3 4,-0.5 -2,-0.3 -1,-0.2 0.731 105.6 52.2 -36.6 -35.9 66.2 72.0 41.2 90 186 A R T 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.1 -50,-0.2 0.585 111.0 44.0 -85.0 -11.2 62.9 73.6 42.0 91 187 A Y T X4 S+ 0 0 16 -3,-3.4 3,-1.1 -6,-0.3 -2,-0.2 0.668 92.1 83.6-104.1 -22.2 60.6 70.9 40.6 92 188 A N T 3< S+ 0 0 93 -4,-1.6 -2,-0.1 1,-0.3 -3,-0.1 0.924 93.4 41.2 -43.6 -70.5 62.4 67.8 41.9 93 189 A M T 3 S+ 0 0 112 -4,-0.5 -1,-0.3 2,-0.0 2,-0.2 0.586 110.0 78.7 -59.7 -12.4 61.0 67.6 45.4 94 190 A L < + 0 0 17 -3,-1.1 2,-0.3 -4,-0.0 3,-0.1 -0.488 54.2 175.6 -98.6 169.4 57.5 68.4 44.0 95 191 A Q + 0 0 122 -2,-0.2 -3,-0.0 1,-0.1 -2,-0.0 -0.964 54.1 34.8-168.0 152.6 54.8 66.5 42.1 96 192 A N + 0 0 71 -2,-0.3 9,-0.1 1,-0.1 -1,-0.1 0.901 68.6 132.3 66.2 44.7 51.3 66.7 40.7 97 193 A Y + 0 0 18 4,-0.1 -25,-3.1 -26,-0.1 2,-0.2 0.235 34.9 104.0-109.5 11.2 51.7 70.4 39.7 98 194 A T B > S-h 72 0C 3 -27,-0.2 4,-2.7 1,-0.1 5,-0.4 -0.610 86.9-103.0 -90.0 157.2 50.3 70.2 36.1 99 195 A I H > S+ 0 0 0 -24,-2.4 4,-1.6 -27,-0.6 -22,-0.2 0.867 121.6 41.8 -45.9 -50.2 46.8 71.5 35.4 100 196 A E H > S+ 0 0 66 -24,-2.0 4,-2.6 -25,-0.2 -1,-0.2 0.911 113.1 54.3 -68.0 -40.7 45.2 68.0 35.3 101 197 A D H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.927 110.9 43.3 -60.5 -45.6 47.1 66.7 38.2 102 198 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.842 111.0 56.9 -71.9 -28.0 46.1 69.5 40.6 103 199 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.4 -2,-0.2 0.966 114.0 38.5 -62.6 -50.0 42.5 69.3 39.3 104 200 A N H X S+ 0 0 86 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.895 114.8 55.6 -64.7 -41.5 42.5 65.6 40.3 105 201 A L H X S+ 0 0 25 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.932 111.5 42.2 -57.3 -51.4 44.4 66.3 43.5 106 202 A I H X>S+ 0 0 0 -4,-2.8 4,-3.6 1,-0.2 5,-0.6 0.945 113.1 53.5 -60.4 -51.3 41.9 68.9 44.7 107 203 A H H X5S+ 0 0 74 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.786 111.3 46.7 -55.9 -31.2 39.0 66.7 43.6 108 204 A Q H <5S+ 0 0 161 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.822 119.6 37.5 -82.8 -32.8 40.4 63.8 45.7 109 205 A K H <5S+ 0 0 109 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.825 137.9 10.0 -88.3 -33.7 41.1 65.8 48.8 110 206 A Y H <5S- 0 0 77 -4,-3.6 -3,-0.2 1,-0.3 2,-0.2 0.354 92.3-133.3-130.7 7.0 38.2 68.2 48.9 111 207 A G << - 0 0 27 -4,-0.7 -1,-0.3 -5,-0.6 2,-0.2 -0.483 60.3 -4.5 78.5-146.3 35.7 67.1 46.3 112 208 A K - 0 0 90 -2,-0.2 2,-0.3 -4,-0.1 48,-0.2 -0.544 58.4-158.1 -89.5 151.0 34.0 69.5 43.9 113 209 A I E - d 0 160A 0 46,-2.4 48,-2.1 43,-0.2 -109,-0.1 -0.749 12.6-156.7-118.8 168.4 34.4 73.3 43.8 114 210 A N E S+ 0 0 15 -111,-1.5 51,-2.8 -2,-0.3 2,-0.4 0.320 72.0 64.1-128.3 5.3 32.2 75.9 42.3 115 211 A M E -bd 4 165A 9 -112,-1.4 -110,-2.5 49,-0.2 2,-0.4 -0.988 53.4-176.4-139.6 130.1 34.6 78.8 41.8 116 212 A L E -bd 5 166A 0 49,-2.2 51,-1.9 -2,-0.4 2,-0.5 -0.977 4.3-167.6-126.9 132.8 37.6 79.1 39.5 117 213 A V E -bd 6 167A 0 -112,-2.8 -110,-2.9 -2,-0.4 2,-0.8 -0.973 8.1-163.7-125.7 123.2 40.0 82.0 39.3 118 214 A H E +bd 7 168A 1 49,-3.3 51,-0.9 -2,-0.5 -110,-0.1 -0.906 27.4 153.4-102.4 108.3 42.6 82.5 36.6 119 215 A S + 0 0 19 -112,-2.9 2,-0.3 -2,-0.8 -103,-0.2 -0.371 32.2 101.0-135.3 55.7 45.0 85.1 37.9 120 216 A L + 0 0 34 25,-0.1 2,-0.3 49,-0.1 49,-0.1 -0.998 36.0 175.9-143.8 145.5 48.4 84.5 36.3 121 217 A A + 0 0 48 -2,-0.3 2,-0.3 2,-0.0 24,-0.1 -0.996 3.8 174.8-147.5 143.3 50.3 86.1 33.4 122 218 A N + 0 0 60 19,-0.3 23,-0.4 -2,-0.3 2,-0.3 -0.934 11.0 165.1-158.4 133.7 53.8 85.5 32.0 123 219 A A > - 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0 0 68 25,-0.3 27,-2.2 111,-0.1 2,-0.4 -0.609 360.0-154.9 -84.5 141.2 20.9 103.8 52.3 233 99 B I E -i 259 0D 23 -2,-0.3 111,-1.9 25,-0.2 112,-1.0 -0.953 9.0-168.9-117.9 133.5 18.1 105.6 50.5 234 100 B C E -ij 260 345D 0 25,-2.4 27,-2.6 -2,-0.4 2,-0.6 -0.974 13.3-150.3-128.3 129.6 17.4 105.0 46.8 235 101 B F E -ij 261 346D 0 110,-2.1 112,-3.1 -2,-0.4 2,-0.5 -0.843 15.2-162.4 -95.9 123.1 15.2 107.0 44.4 236 102 B I E -ij 262 347D 0 25,-2.9 27,-3.0 -2,-0.6 2,-0.6 -0.925 2.9-166.5-108.8 124.8 13.8 104.8 41.6 237 103 B A E +ij 263 348D 1 110,-2.8 112,-3.1 -2,-0.5 27,-0.1 -0.937 65.1 46.9-111.6 116.0 12.4 106.5 38.6 238 104 B G + 0 0 26 25,-1.3 8,-0.5 -2,-0.6 2,-0.4 0.708 65.4 131.3 121.7 51.8 10.3 104.4 36.3 239 105 B I + 0 0 10 24,-0.9 26,-0.5 -3,-0.2 -1,-0.3 -1.000 4.4 146.7-132.5 131.7 7.8 102.3 38.1 240 106 B G S S- 0 0 29 1,-0.7 2,-0.2 -2,-0.4 -1,-0.1 0.155 77.7 -5.3-146.5 13.0 4.2 102.0 37.1 241 107 B D S > S- 0 0 30 40,-0.0 3,-0.8 31,-0.0 -1,-0.7 -0.841 79.9 -91.3 166.5 164.7 3.5 98.4 38.1 242 108 B T T 3 S+ 0 0 15 -2,-0.2 -3,-0.0 1,-0.2 39,-0.0 0.182 105.6 78.8 -83.0 19.2 5.4 95.4 39.4 243 109 B N T 3 S+ 0 0 97 4,-0.1 -1,-0.2 301,-0.0 301,-0.1 0.538 78.5 74.0-104.9 -7.7 6.2 94.0 36.0 244 110 B G S <> S- 0 0 16 -3,-0.8 4,-0.9 207,-0.1 206,-0.1 -0.127 94.4 -94.8 -92.9-167.7 9.1 96.2 34.8 245 111 B Y H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.812 115.3 66.5 -79.7 -31.4 12.8 96.3 35.8 246 112 B G H > S+ 0 0 1 -8,-0.5 4,-3.2 103,-0.3 5,-0.3 0.955 100.9 47.6 -52.2 -55.9 12.3 99.0 38.4 247 113 B W H > S+ 0 0 9 -6,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.902 111.7 50.9 -53.2 -45.2 10.2 96.7 40.7 248 114 B G H X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.2 -1,-0.3 0.878 112.4 47.4 -61.0 -37.4 12.8 94.0 40.3 249 115 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.901 110.7 50.6 -69.9 -41.5 15.4 96.5 41.3 250 116 B A H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 44,-0.2 0.863 110.1 52.4 -63.8 -35.8 13.4 97.7 44.2 251 117 B K H X S+ 0 0 48 -4,-2.5 4,-1.7 -5,-0.3 3,-0.2 0.980 110.7 44.2 -63.8 -57.3 13.0 94.1 45.4 252 118 B E H X S+ 0 0 14 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.819 112.0 54.3 -58.5 -32.7 16.7 93.3 45.3 253 119 B L H ><>S+ 0 0 1 -4,-2.1 5,-1.3 1,-0.2 3,-0.5 0.908 105.7 52.9 -68.0 -39.7 17.5 96.6 47.0 254 120 B S H ><5S+ 0 0 6 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.836 98.8 63.9 -62.9 -35.0 15.1 95.7 49.8 255 121 B K H 3<5S+ 0 0 48 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.893 106.7 43.3 -56.2 -38.6 16.9 92.4 50.2 256 122 B R T <<5S- 0 0 92 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.181 123.0-114.2 -91.3 15.8 19.9 94.4 51.2 257 123 B N T < 5 + 0 0 107 -3,-2.3 2,-0.4 1,-0.2 -25,-0.3 0.883 58.7 155.8 53.4 53.7 17.6 96.6 53.3 258 124 B V < - 0 0 7 -5,-1.3 36,-0.3 -8,-0.2 -25,-0.2 -0.892 46.4-114.1-107.4 135.9 17.8 99.9 51.5 259 125 B K E -i 233 0D 60 -27,-2.2 -25,-2.4 -2,-0.4 2,-0.4 -0.454 34.2-148.0 -68.3 140.9 14.9 102.4 51.9 260 126 B I E -ik 234 295D 0 34,-1.2 36,-1.9 -27,-0.2 37,-1.5 -0.935 16.5-169.0-120.2 132.5 13.1 102.9 48.6 261 127 B I E -ik 235 297D 0 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.5 -0.972 17.1-147.8-115.4 125.9 11.3 106.0 47.2 262 128 B F E -ik 236 298D 1 35,-2.7 37,-3.3 -2,-0.5 2,-0.7 -0.846 2.7-155.5 -98.4 123.9 9.2 105.4 44.0 263 129 B G E -ik 237 299D 2 -27,-3.0 -25,-1.3 -2,-0.5 -24,-0.9 -0.872 23.0-164.2 -94.1 119.4 8.9 108.2 41.5 264 130 B I E - k 0 300D 0 35,-4.1 37,-3.8 -2,-0.7 -24,-0.1 -0.918 19.7-119.8-116.0 133.1 5.6 107.5 39.7 265 131 B W > - 0 0 104 -26,-0.5 3,-1.5 -2,-0.4 37,-0.2 -0.442 23.3-129.6 -67.1 131.3 4.4 109.0 36.4 266 132 B P G >> S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.822 100.5 69.8 -50.0 -42.6 1.0 110.9 36.8 267 133 B P G 34 S+ 0 0 43 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.828 120.9 18.6 -49.4 -31.4 -0.8 109.1 33.9 268 134 B V G <> S+ 0 0 37 -3,-1.5 4,-1.2 2,-0.1 -3,-0.1 0.022 97.3 106.4-129.5 26.9 -0.8 106.0 36.1 269 135 B Y H <> S+ 0 0 33 -3,-1.7 4,-2.7 2,-0.2 3,-0.2 0.987 81.8 40.5 -70.8 -62.5 -0.2 107.4 39.6 270 136 B N H X S+ 0 0 53 -4,-0.5 4,-3.2 1,-0.2 5,-0.2 0.929 114.6 53.6 -53.5 -50.0 -3.6 107.2 41.3 271 137 B I H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 110.0 48.3 -53.5 -41.6 -4.2 103.7 39.8 272 138 B F H X S+ 0 0 3 -4,-1.2 4,-3.0 -3,-0.2 5,-0.2 0.957 111.8 49.4 -64.1 -49.4 -0.9 102.5 41.2 273 139 B M H X S+ 0 0 56 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.928 111.3 49.5 -53.4 -50.4 -1.8 104.0 44.6 274 140 B K H X S+ 0 0 130 -4,-3.2 4,-2.6 2,-0.2 6,-0.2 0.923 112.2 47.2 -55.3 -51.0 -5.2 102.3 44.6 275 141 B N H <>S+ 0 0 44 -4,-2.4 5,-3.0 -5,-0.2 6,-0.4 0.947 114.3 47.1 -57.3 -50.7 -3.7 98.9 43.7 276 142 B Y H ><5S+ 0 0 89 -4,-3.0 3,-1.3 1,-0.2 5,-0.3 0.920 113.1 49.6 -56.8 -46.3 -1.0 99.3 46.3 277 143 B K H 3<5S+ 0 0 181 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.876 109.6 49.5 -62.5 -41.3 -3.6 100.4 48.9 278 144 B N T 3<5S- 0 0 88 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.226 119.5-109.4 -83.9 14.5 -6.0 97.5 48.2 279 145 B G T < 5S+ 0 0 24 -3,-1.3 4,-0.4 -5,-0.1 3,-0.2 0.730 74.3 140.2 66.0 25.4 -3.1 95.0 48.5 280 146 B K S > S+ 0 0 16 -6,-0.4 3,-3.1 -5,-0.3 4,-0.9 0.439 86.6 105.1-116.0 -10.8 0.8 94.2 44.9 282 148 B D G >4 S+ 0 0 74 1,-0.3 3,-0.9 -3,-0.2 -2,-0.1 0.825 81.1 44.9 -38.4 -53.2 1.0 92.5 48.3 283 149 B N G 34 S+ 0 0 130 -4,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.281 110.0 58.1 -82.2 14.8 2.1 89.1 47.0 284 150 B D G <4 S+ 0 0 58 -3,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.497 93.6 63.5-114.3 -13.2 4.6 90.8 44.7 285 151 B M S << S+ 0 0 16 -3,-0.9 8,-2.5 -4,-0.9 -2,-0.1 0.340 80.3 118.3 -91.0 4.3 6.5 92.5 47.5 286 152 B I B -O 292 0E 76 6,-0.2 2,-0.4 -4,-0.1 6,-0.2 -0.432 48.5-161.2 -72.4 145.4 7.4 89.1 48.9 287 153 B I > - 0 0 1 4,-2.0 3,-0.7 1,-0.1 4,-0.1 -0.996 29.1-116.7-134.7 129.5 11.1 88.1 49.1 288 154 B D T 3 S+ 0 0 156 -2,-0.4 2,-2.2 1,-0.3 -1,-0.1 0.760 113.9 61.2 -23.6 -59.9 12.5 84.6 49.3 289 155 B K T 3 S- 0 0 144 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 -0.017 125.4-101.9 -67.7 37.1 14.0 85.4 52.7 290 156 B D S < S+ 0 0 145 -2,-2.2 -1,-0.2 -3,-0.7 -2,-0.2 0.185 81.2 143.4 64.9 -23.7 10.5 86.0 54.0 291 157 B K - 0 0 45 -2,-0.7 -4,-2.0 -5,-0.1 2,-0.4 0.053 42.6-147.5 -45.8 155.4 11.4 89.7 53.6 292 158 B K B -O 286 0E 96 -6,-0.2 -6,-0.2 -38,-0.1 -1,-0.1 -0.978 32.0 -98.1-132.7 115.5 8.7 92.1 52.5 293 159 B M - 0 0 12 -8,-2.5 2,-0.6 -2,-0.4 -42,-0.1 0.155 31.0-139.5 -30.2 142.7 9.8 95.1 50.4 294 160 B N - 0 0 89 -36,-0.3 -34,-1.2 -44,-0.2 2,-0.8 -0.860 17.4-168.7-115.9 95.2 10.1 98.3 52.4 295 161 B I E -k 260 0D 28 -2,-0.6 -34,-0.2 1,-0.2 3,-0.1 -0.755 7.1-172.9 -89.0 111.8 8.7 101.2 50.5 296 162 B L E - 0 0 53 -36,-1.9 2,-0.3 -2,-0.8 -35,-0.2 0.923 66.2 -16.3 -67.8 -46.5 9.7 104.5 52.1 297 163 B D E -k 261 0D 25 -37,-1.5 -35,-2.7 2,-0.0 2,-0.4 -0.981 47.7-146.4-156.7 162.9 7.6 106.8 49.8 298 164 B M E +k 262 0D 15 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.942 28.4 178.7-138.1 109.9 5.7 106.9 46.5 299 165 B L E -k 263 0D 13 -37,-3.3 -35,-4.1 -2,-0.4 2,-0.2 -0.860 33.7-110.3-119.2 149.3 5.7 110.3 44.8 300 166 B P E +k 264 0D 16 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.579 46.9 172.1 -73.8 137.8 4.2 111.6 41.5 301 167 B F - 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0 0 72 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.435 21.3-112.2 -73.8 152.6 3.0 123.7 29.8 313 179 B E H > S+ 0 0 145 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.870 113.2 55.6 -52.6 -42.4 -0.4 125.1 30.8 314 180 B E H >> S+ 0 0 150 2,-0.2 3,-1.1 1,-0.2 4,-0.7 0.977 111.3 38.8 -57.3 -63.2 -2.3 122.2 29.1 315 181 B T H 34 S+ 0 0 35 1,-0.3 6,-0.3 2,-0.2 -1,-0.2 0.748 113.3 62.4 -59.7 -20.5 -0.6 119.3 31.0 316 182 B K H 3< S+ 0 0 104 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.838 111.8 33.8 -72.2 -36.1 -0.8 121.7 34.0 317 183 B N H << S+ 0 0 95 -4,-1.7 -2,-0.2 -3,-1.1 -1,-0.2 0.331 94.9 131.0-100.3 4.1 -4.6 121.8 33.8 318 184 B N S X S- 0 0 61 -4,-0.7 4,-2.2 -5,-0.2 3,-0.4 -0.259 71.7-111.8 -63.9 145.2 -4.8 118.1 32.6 319 185 B K T 4 S+ 0 0 149 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.746 115.8 39.5 -43.9 -36.4 -7.2 115.7 34.3 320 186 B R T 4 S+ 0 0 63 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.816 118.4 43.7 -89.7 -32.2 -4.3 113.7 35.8 321 187 B Y T 4 S+ 0 0 18 -3,-0.4 3,-0.5 -6,-0.3 -2,-0.2 0.657 91.1 82.0 -89.2 -17.6 -1.9 116.4 36.8 322 188 B N S < S+ 0 0 90 -4,-2.2 -1,-0.1 1,-0.2 -3,-0.1 0.932 94.5 43.5 -52.0 -58.2 -4.3 119.0 38.4 323 189 B M S S+ 0 0 116 -4,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.714 108.0 83.2 -61.7 -21.8 -4.5 117.4 41.9 324 190 B L + 0 0 21 -3,-0.5 2,-0.3 -4,-0.2 3,-0.1 -0.455 52.4 173.9 -91.4 158.7 -0.8 116.8 41.8 325 191 B Q + 0 0 141 -2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 -0.957 54.9 35.6-153.0 166.4 2.3 119.0 42.6 326 192 B N S S+ 0 0 66 -2,-0.3 -1,-0.1 1,-0.1 9,-0.1 0.909 70.7 132.6 52.0 48.8 6.1 118.9 43.0 327 193 B Y + 0 0 13 -3,-0.1 -25,-2.9 -26,-0.1 -22,-0.2 0.440 34.6 99.2-109.1 0.2 6.4 116.4 40.1 328 194 B T S > S- 0 0 2 -27,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.372 87.6-105.9 -79.5 166.0 9.2 118.0 38.1 329 195 B I H > S+ 0 0 0 -24,-2.7 4,-2.1 -27,-0.3 5,-0.2 0.924 121.1 46.6 -58.8 -46.5 12.8 116.7 38.5 330 196 B E H > S+ 0 0 63 -24,-2.8 4,-2.6 -25,-0.2 -1,-0.2 0.952 113.6 48.7 -61.1 -49.8 13.8 119.7 40.5 331 197 B D H > S+ 0 0 31 -25,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.901 113.0 44.6 -59.4 -46.7 10.8 119.6 42.7 332 198 B V H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.903 111.9 53.9 -66.2 -39.7 11.0 115.9 43.6 333 199 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.945 114.3 42.1 -56.6 -48.0 14.7 116.2 44.2 334 200 B N H X S+ 0 0 81 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.907 113.2 52.0 -64.9 -44.9 13.9 119.1 46.6 335 201 B L H X S+ 0 0 38 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.929 110.1 49.7 -58.6 -47.6 11.0 117.3 48.2 336 202 B I H X>S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.6 0.950 113.9 44.0 -56.3 -54.3 13.1 114.2 48.8 337 203 B H H X5S+ 0 0 81 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.869 113.2 51.9 -59.0 -40.5 16.0 116.1 50.5 338 204 B Q H <5S+ 0 0 172 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.785 119.0 36.3 -67.6 -29.7 13.6 118.2 52.5 339 205 B K H <5S+ 0 0 119 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.757 138.3 9.9 -97.8 -28.2 11.8 115.1 53.8 340 206 B Y H <5S- 0 0 68 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.419 95.0-127.1-131.8 -3.7 14.6 112.6 54.2 341 207 B G << - 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