==== 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 08-JUN-05 1ZXL . 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 . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 13.2 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 . 1 0.2 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 . 38 6.6 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 . 193 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 3 1 0 0 1 0 7 6 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 154 0, 0.0 2,-0.4 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 110.3 29.4 74.8 51.1 2 98 A D + 0 0 43 25,-0.5 27,-3.1 111,-0.0 2,-0.4 -0.841 360.0 177.7-119.4 132.3 31.9 76.6 48.8 3 99 A I E -a 29 0A 6 -2,-0.4 111,-1.8 25,-0.2 112,-1.1 -0.973 6.3-170.9-127.6 132.1 35.4 75.9 47.4 4 100 A C E -ab 30 115A 0 25,-3.4 27,-3.0 -2,-0.4 2,-0.4 -0.976 10.7-152.5-125.2 127.7 37.5 78.1 45.0 5 101 A F E -ab 31 116A 0 110,-1.9 112,-2.1 -2,-0.4 2,-0.5 -0.796 9.8-162.9 -92.6 137.0 40.8 77.2 43.2 6 102 A I E -ab 32 117A 0 25,-2.8 27,-3.1 -2,-0.4 2,-0.8 -0.970 2.4-160.6-124.4 111.7 43.1 80.1 42.5 7 103 A A E +ab 33 118A 0 110,-2.7 112,-2.3 -2,-0.5 27,-0.1 -0.850 64.5 44.4 -98.3 109.2 45.7 79.4 39.9 8 104 A G E + 0 0 18 25,-2.4 2,-0.3 -2,-0.8 8,-0.2 0.594 62.1 135.2 119.6 87.0 48.6 81.9 40.0 9 105 A I E +a 34 0A 17 24,-0.6 26,-1.3 7,-0.1 -1,-0.2 -0.980 12.2 150.6-155.0 144.9 50.2 83.0 43.3 10 106 A G S S+ 0 0 25 1,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.204 80.0 0.7-151.6 -8.0 53.8 83.5 44.5 11 107 A D S S- 0 0 39 40,-0.0 -1,-0.4 31,-0.0 3,-0.2 -0.864 74.7 -99.2-161.6-166.0 53.1 86.2 47.1 12 108 A T S S+ 0 0 18 -2,-0.2 6,-0.0 1,-0.1 -3,-0.0 0.241 98.0 81.4-115.6 10.9 50.4 88.4 48.6 13 109 A N S S+ 0 0 99 4,-0.1 -1,-0.1 206,-0.0 2,-0.1 0.286 80.3 83.4-100.1 9.9 50.8 91.6 46.6 14 110 A G S > S- 0 0 17 -3,-0.2 4,-1.6 207,-0.2 5,-0.1 -0.362 91.2 -99.8-103.0-176.0 48.9 90.4 43.6 15 111 A Y H > S+ 0 0 33 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.781 114.0 64.6 -74.3 -29.2 45.3 90.1 42.5 16 112 A G H > S+ 0 0 3 -8,-0.2 4,-1.9 103,-0.2 -1,-0.2 0.940 106.4 45.5 -60.3 -46.1 44.9 86.4 43.4 17 113 A W H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.965 111.3 51.8 -57.1 -56.5 45.4 87.4 47.0 18 114 A G H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 3,-0.4 0.918 112.0 48.2 -40.9 -50.8 43.0 90.4 46.6 19 115 A I H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.825 109.3 52.2 -63.0 -34.9 40.5 87.9 45.2 20 116 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 -3,-0.5 -1,-0.2 0.755 106.7 53.7 -75.8 -25.2 41.0 85.4 48.1 21 117 A K H X S+ 0 0 63 -4,-1.8 4,-1.3 -3,-0.4 -1,-0.2 0.860 111.1 44.2 -77.0 -37.1 40.4 88.0 50.7 22 118 A E H X S+ 0 0 16 -4,-1.5 4,-0.5 -5,-0.2 -2,-0.2 0.788 110.8 53.6 -81.2 -29.1 37.1 89.1 49.3 23 119 A L H ><>S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 5,-1.1 0.879 103.1 58.9 -69.8 -39.7 35.9 85.5 48.8 24 120 A S H ><5S+ 0 0 5 -4,-1.3 3,-3.0 1,-0.3 -2,-0.2 0.912 91.3 68.9 -54.0 -45.1 36.7 84.8 52.4 25 121 A K H 3<5S+ 0 0 68 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.812 105.2 42.2 -41.6 -37.8 34.2 87.6 53.3 26 122 A R T <<5S- 0 0 82 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 -0.069 124.0-103.0-103.9 32.9 31.5 85.2 52.1 27 123 A N T < 5 + 0 0 113 -3,-3.0 2,-0.5 1,-0.2 -25,-0.5 0.835 63.3 158.2 53.3 46.8 32.9 82.1 53.6 28 124 A V < - 0 0 0 -5,-1.1 36,-0.3 -8,-0.1 -25,-0.2 -0.896 42.2-123.6-103.4 124.7 34.5 80.4 50.5 29 125 A K E -a 3 0A 60 -27,-3.1 -25,-3.4 -2,-0.5 2,-0.4 -0.467 28.7-146.2 -62.9 129.9 37.3 77.9 51.0 30 126 A I E -ac 4 65A 0 34,-2.4 36,-2.3 -27,-0.2 37,-1.0 -0.852 15.3-169.7-107.7 134.1 40.4 78.9 49.1 31 127 A I E -ac 5 67A 0 -27,-3.0 -25,-2.8 -2,-0.4 2,-0.4 -0.964 16.0-150.1-121.5 114.9 42.9 76.5 47.4 32 128 A F E -ac 6 68A 0 35,-1.9 37,-2.4 -2,-0.5 2,-0.6 -0.674 6.1-157.2 -87.2 133.8 46.0 78.2 46.1 33 129 A G E -ac 7 69A 0 -27,-3.1 -25,-2.4 -2,-0.4 -24,-0.6 -0.955 18.0-165.1-104.6 108.5 47.9 76.9 43.1 34 130 A I E -ac 9 70A 0 35,-2.6 37,-3.3 -2,-0.6 -24,-0.2 -0.785 28.1-109.4 -96.1 134.3 51.5 78.2 43.4 35 131 A W >> - 0 0 103 -26,-1.3 3,-1.7 -2,-0.4 4,-0.9 -0.428 35.7-123.7 -54.4 127.4 54.0 78.1 40.5 36 132 A P H >> S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 4,-0.7 0.901 104.3 65.9 -52.1 -46.7 56.4 75.4 41.5 37 133 A P H 34 S+ 0 0 24 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 0.746 117.7 27.8 -48.0 -27.5 59.6 77.5 41.4 38 134 A V H <> S+ 0 0 38 -3,-1.7 4,-3.0 -29,-0.1 5,-0.3 0.402 92.4 100.4-114.9 2.3 58.3 79.6 44.3 39 135 A Y H S+ 0 0 91 1,-0.2 4,-2.8 -4,-0.2 -1,-0.2 0.925 114.5 49.6 -60.6 -43.7 59.6 79.8 49.5 42 138 A F H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.896 113.2 46.5 -62.2 -40.9 55.9 80.6 49.6 43 139 A M H X S+ 0 0 47 -4,-2.4 4,-2.6 -5,-0.3 3,-0.3 0.953 113.3 45.4 -68.5 -52.0 55.2 77.7 52.0 44 140 A K H X S+ 0 0 132 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.939 113.5 53.1 -53.2 -49.4 58.1 78.4 54.3 45 141 A N H <>S+ 0 0 48 -4,-2.8 5,-2.0 -5,-0.3 6,-0.4 0.800 110.3 47.9 -53.7 -37.0 57.0 82.1 54.2 46 142 A Y H ><5S+ 0 0 79 -4,-1.6 3,-2.5 -3,-0.3 5,-0.2 0.977 109.2 50.2 -67.7 -61.4 53.5 81.0 55.2 47 143 A K H 3<5S+ 0 0 184 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.869 107.6 57.5 -39.6 -47.0 54.5 78.7 58.1 48 144 A N T 3<5S- 0 0 106 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.156 115.7-116.2 -79.4 17.1 56.6 81.6 59.4 49 145 A G T < 5 + 0 0 22 -3,-2.5 4,-0.4 1,-0.1 3,-0.4 0.626 68.9 139.5 61.1 22.8 53.5 83.9 59.6 50 146 A K S S+ 0 0 12 -6,-0.4 4,-1.5 -5,-0.2 -1,-0.2 0.470 83.6 101.2-102.2 -5.3 51.0 86.6 55.7 52 148 A D T 4 S+ 0 0 74 -3,-0.4 3,-0.2 1,-0.2 4,-0.2 0.856 89.7 45.3 -45.8 -40.0 49.3 86.3 59.1 53 149 A N T >4 S+ 0 0 127 -4,-0.4 3,-1.2 -3,-0.3 -1,-0.2 0.908 113.6 48.0 -68.5 -43.9 48.7 90.1 58.8 54 150 A D T 34 S+ 0 0 58 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.575 102.8 65.3 -75.5 -7.7 47.6 89.9 55.3 55 151 A M T 3< S+ 0 0 1 -4,-1.5 8,-1.3 -3,-0.2 2,-0.3 0.465 77.7 107.2 -94.5 -3.0 45.2 87.0 56.1 56 152 A I E < -G 62 0B 91 -3,-1.2 2,-0.4 -5,-0.2 6,-0.2 -0.551 56.1-153.5 -77.2 136.4 43.0 89.1 58.4 57 153 A I E > -G 61 0B 3 4,-2.1 4,-1.0 -2,-0.3 -2,-0.1 -0.947 29.6-109.3-114.3 137.3 39.5 90.0 57.1 58 154 A D T 4 S+ 0 0 132 -2,-0.4 2,-1.5 1,-0.2 -1,-0.1 0.753 112.5 54.5 -19.8 -72.5 37.7 93.2 58.3 59 155 A K T 4 S- 0 0 123 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 -0.579 123.7 -87.0 -76.8 84.1 35.2 91.2 60.3 60 156 A D T 4 S+ 0 0 159 -2,-1.5 2,-0.4 1,-0.1 -1,-0.2 0.541 84.7 131.7 19.1 58.5 37.3 89.0 62.6 61 157 A K E < -G 57 0B 67 -4,-1.0 -4,-2.1 -6,-0.0 2,-0.3 -0.981 52.7-136.0-131.1 141.0 37.8 86.1 60.2 62 158 A K E -G 56 0B 108 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.663 39.6-102.1 -79.5 148.7 40.9 84.3 59.2 63 159 A M - 0 0 4 -8,-1.3 2,-1.3 -2,-0.3 -42,-0.1 -0.659 37.3-128.4 -66.1 132.4 41.2 83.7 55.5 64 160 A N - 0 0 79 -2,-0.4 -34,-2.4 -36,-0.3 2,-0.9 -0.698 27.3-173.0 -92.3 87.0 40.2 80.0 55.2 65 161 A I E -c 30 0A 26 -2,-1.3 -34,-0.2 1,-0.2 3,-0.1 -0.737 4.9-173.5 -81.8 106.8 43.0 78.5 53.2 66 162 A L E - 0 0 46 -36,-2.3 2,-0.3 -2,-0.9 -35,-0.2 0.875 63.7 -27.1 -65.8 -39.5 41.9 74.9 52.5 67 163 A D E -c 31 0A 40 -37,-1.0 -35,-1.9 -3,-0.1 2,-0.3 -0.974 48.4-135.2-169.5 169.8 45.2 73.8 50.9 68 164 A M E +c 32 0A 9 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.882 29.2 177.6-148.2 105.1 48.3 75.0 49.0 69 165 A L E -c 33 0A 13 -37,-2.4 -35,-2.6 -2,-0.3 2,-0.2 -0.847 35.2-111.1-114.1 144.6 49.5 73.0 46.1 70 166 A P E +c 34 0A 13 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.544 44.5 178.0 -65.2 139.3 52.3 73.4 43.5 71 167 A F - 0 0 5 -37,-3.3 2,-0.5 -2,-0.2 27,-0.2 -0.972 17.9-165.7-152.4 129.5 50.6 74.1 40.2 72 168 A D > - 0 0 3 25,-3.0 3,-1.5 -2,-0.3 27,-0.4 -0.911 7.9-163.4-131.4 109.1 52.2 74.8 36.8 73 169 A A T 3 S+ 0 0 9 -2,-0.5 -1,-0.1 1,-0.3 78,-0.1 0.498 82.5 70.4 -68.1 -6.5 50.1 76.3 34.1 74 170 A S T 3 S+ 0 0 30 1,-0.1 2,-0.5 73,-0.0 -1,-0.3 0.661 92.4 59.5 -89.9 -16.3 52.6 75.3 31.3 75 171 A F < - 0 0 18 -3,-1.5 24,-2.3 22,-0.2 -3,-0.2 -0.961 57.2-170.4-117.2 121.6 52.0 71.6 31.4 76 172 A D S S+ 0 0 33 -2,-0.5 24,-2.2 22,-0.2 2,-0.3 0.890 72.8 3.7 -74.1 -44.1 48.6 70.0 30.8 77 173 A T S > S- 0 0 27 22,-0.2 3,-1.7 23,-0.1 4,-0.4 -0.851 82.4 -93.8-134.8 174.8 49.4 66.4 31.8 78 174 A A G > S+ 0 0 48 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.856 120.8 60.8 -54.1 -39.9 52.2 64.4 33.3 79 175 A N G 3 S+ 0 0 158 1,-0.2 -1,-0.3 -4,-0.0 -3,-0.0 0.222 96.3 62.0 -76.9 16.5 53.3 63.4 29.8 80 176 A D G < S+ 0 0 83 -3,-1.7 2,-0.5 2,-0.1 -1,-0.2 0.537 76.6 101.3-113.0 -14.5 53.9 67.1 28.8 81 177 A I < - 0 0 23 -3,-1.2 2,-0.1 -4,-0.4 -6,-0.0 -0.630 66.0-137.9 -84.5 122.6 56.6 67.8 31.3 82 178 A D > - 0 0 50 -2,-0.5 4,-1.4 1,-0.1 3,-0.3 -0.300 18.5-107.2 -82.3 161.3 60.1 67.8 29.9 83 179 A E H > S+ 0 0 142 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 112.4 55.6 -49.0 -53.4 63.5 66.4 31.2 84 180 A E H > S+ 0 0 145 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.900 113.8 40.5 -52.5 -48.0 65.2 69.8 32.0 85 181 A T H 4 S+ 0 0 19 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.706 109.0 63.8 -76.0 -19.8 62.4 70.8 34.4 86 182 A K H < S+ 0 0 117 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.893 112.2 34.2 -65.2 -42.6 62.4 67.1 35.5 87 183 A N H < S+ 0 0 126 -4,-2.4 5,-0.3 4,-0.0 -2,-0.2 0.967 89.9 130.4 -66.4 -57.9 65.9 67.7 36.9 88 184 A N X - 0 0 54 -4,-2.7 4,-2.4 -5,-0.2 -3,-0.1 0.497 66.3-126.0 -10.3 109.8 65.3 71.3 37.9 89 185 A K T 4 S+ 0 0 179 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.792 107.3 37.4 -12.4 -63.3 66.4 72.0 41.5 90 186 A R T 4 S+ 0 0 85 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.925 119.2 43.0 -75.3 -51.6 62.9 73.4 42.4 91 187 A Y T >4 S+ 0 0 16 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.744 98.2 78.3 -63.3 -28.3 60.5 71.1 40.4 92 188 A N T 3< S+ 0 0 75 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 0.806 91.8 44.0 -64.9 -39.7 62.3 68.0 41.3 93 189 A M T 3 S+ 0 0 149 -4,-0.5 2,-0.3 -3,-0.5 -1,-0.3 0.082 106.4 71.5 -98.6 22.9 61.1 67.3 44.9 94 190 A L < - 0 0 22 -3,-1.6 2,-0.3 0, 0.0 3,-0.1 -0.886 62.3-172.7-122.7 161.9 57.5 68.2 44.1 95 191 A Q + 0 0 133 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.923 52.7 37.3-145.8 170.0 55.0 66.1 42.1 96 192 A N + 0 0 76 -2,-0.3 9,-0.2 1,-0.1 -1,-0.1 0.844 67.6 130.9 57.4 48.9 51.5 66.2 40.6 97 193 A Y + 0 0 15 4,-0.1 -25,-3.0 -3,-0.1 -22,-0.2 0.239 30.7 108.7-120.4 8.4 51.6 69.9 39.6 98 194 A T S > S- 0 0 3 -27,-0.2 4,-1.9 -24,-0.1 5,-0.2 -0.349 86.7 -99.5 -69.7 168.2 50.4 69.8 36.0 99 195 A I H > S+ 0 0 0 -24,-2.3 4,-2.2 -27,-0.4 -22,-0.2 0.933 123.8 42.4 -57.9 -48.7 46.9 71.1 35.3 100 196 A E H > S+ 0 0 68 -24,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.797 110.0 56.7 -69.3 -32.6 45.3 67.6 35.2 101 197 A D H > S+ 0 0 28 -25,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 112.1 42.3 -69.2 -37.7 47.2 66.3 38.2 102 198 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.4 0.851 106.8 58.7 -78.2 -37.7 45.9 69.2 40.4 103 199 A A H X S+ 0 0 2 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.892 114.5 43.0 -51.7 -37.2 42.3 69.0 39.1 104 200 A N H X S+ 0 0 70 -4,-1.4 4,-3.8 2,-0.2 -2,-0.2 0.966 110.6 51.2 -73.0 -57.2 42.6 65.4 40.4 105 201 A L H X S+ 0 0 39 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.916 114.7 44.5 -45.4 -58.3 44.4 66.1 43.8 106 202 A I H X>S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.6 0.925 115.1 47.4 -49.4 -55.0 41.8 68.7 44.7 107 203 A H H X5S+ 0 0 75 -4,-1.4 4,-2.1 -5,-0.4 -2,-0.2 0.944 111.1 53.9 -54.5 -48.1 38.9 66.5 43.6 108 204 A Q H <5S+ 0 0 153 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 117.2 34.3 -53.6 -43.9 40.4 63.6 45.5 109 205 A K H <5S+ 0 0 117 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.838 136.2 12.4 -86.2 -38.8 40.6 65.5 48.8 110 206 A Y H <5S- 0 0 74 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.446 93.3-129.0-127.3 -1.1 37.6 67.8 48.9 111 207 A G << + 0 0 27 -4,-2.1 2,-0.4 -5,-0.6 -1,-0.3 -0.655 65.0 2.2 92.0-144.7 35.2 66.7 46.1 112 208 A K - 0 0 109 -2,-0.3 48,-0.2 -4,-0.1 2,-0.2 -0.685 63.8-153.5 -83.7 131.7 33.7 69.0 43.5 113 209 A I E - d 0 160A 0 46,-2.1 48,-1.6 -2,-0.4 -109,-0.1 -0.489 5.1-162.4 -87.9 172.0 34.7 72.6 43.6 114 210 A N E + 0 0 26 -111,-1.8 51,-1.4 1,-0.3 2,-0.3 0.346 65.7 56.5-144.1 8.1 32.4 75.4 42.2 115 211 A M E -bd 4 165A 5 -112,-1.1 -110,-1.9 49,-0.2 2,-0.4 -0.988 58.8-170.6-139.6 138.8 34.5 78.5 41.7 116 212 A L E -bd 5 166A 0 49,-2.1 51,-2.5 -2,-0.3 2,-0.5 -0.992 3.1-165.2-132.9 134.1 37.6 78.8 39.5 117 213 A V E -bd 6 167A 0 -112,-2.1 -110,-2.7 -2,-0.4 2,-0.7 -0.973 8.3-165.7-125.4 119.5 40.1 81.7 39.2 118 214 A H E +bd 7 168A 1 49,-3.5 51,-1.3 -2,-0.5 -110,-0.1 -0.906 26.4 154.6 -93.9 108.4 42.7 82.1 36.4 119 215 A S + 0 0 17 -112,-2.3 2,-0.3 -2,-0.7 -103,-0.2 -0.400 32.0 103.2-134.3 59.4 45.0 84.8 37.8 120 216 A L - 0 0 35 25,-0.2 2,-0.3 49,-0.1 49,-0.1 -0.987 36.4-178.6-145.2 149.6 48.4 84.3 36.1 121 217 A A + 0 0 56 -2,-0.3 2,-0.3 2,-0.0 24,-0.1 -0.991 3.8 173.3-148.5 144.4 50.6 85.6 33.4 122 218 A N + 0 0 58 -2,-0.3 23,-0.4 19,-0.3 2,-0.3 -0.961 8.2 164.0-147.7 131.5 54.0 85.0 31.8 123 219 A A > - 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