==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-DEC-02 1NHG . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR R.PEROZZO,M.KUO,A.S.SIDHU,J.T.VALIYAVEETTIL,R.BITTMAN, . 578 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 12.8 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 . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 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 . 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 0 156 0, 0.0 2,-0.5 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 101.7 29.9 75.7 50.9 2 98 A D - 0 0 63 25,-0.4 27,-2.8 111,-0.1 2,-0.4 -0.779 360.0-175.1 -94.6 130.6 31.8 77.9 48.5 3 99 A I E -a 29 0A 14 -2,-0.5 111,-1.6 25,-0.2 112,-1.1 -0.989 3.8-167.5-124.3 130.8 35.4 76.9 47.6 4 100 A C E -ab 30 115A 0 25,-2.9 27,-2.6 -2,-0.4 2,-0.6 -0.974 10.4-153.8-124.7 129.1 37.5 79.2 45.4 5 101 A F E -ab 31 116A 0 110,-2.2 112,-2.6 -2,-0.4 2,-0.6 -0.874 11.2-163.5 -99.0 125.8 40.8 78.3 43.8 6 102 A I E -ab 32 117A 0 25,-2.9 27,-2.4 -2,-0.6 2,-0.7 -0.946 1.6-162.8-114.0 112.4 43.0 81.4 43.1 7 103 A A E +ab 33 118A 0 110,-2.9 112,-2.7 -2,-0.6 27,-0.1 -0.849 67.5 43.0 -97.0 115.6 45.8 80.7 40.7 8 104 A G + 0 0 28 25,-2.1 2,-0.5 -2,-0.7 8,-0.3 0.736 64.3 141.3 121.0 42.3 48.5 83.4 40.8 9 105 A I + 0 0 6 24,-1.6 26,-0.4 -3,-0.3 -1,-0.2 -0.952 3.7 150.9-114.6 131.4 49.4 84.3 44.4 10 106 A G S S- 0 0 34 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.377 72.1 -19.7-133.6 -7.3 53.0 85.0 45.3 11 107 A D S S- 0 0 33 40,-0.0 -1,-0.4 31,-0.0 3,-0.3 -0.934 75.5 -82.8-176.1-166.3 52.6 87.5 48.1 12 108 A T S S+ 0 0 17 -2,-0.3 -3,-0.0 1,-0.2 209,-0.0 0.225 106.3 75.8-106.2 13.5 50.2 90.0 49.6 13 109 A N S S+ 0 0 99 4,-0.0 -1,-0.2 206,-0.0 2,-0.1 0.429 82.2 78.0-104.5 0.9 50.8 92.9 47.3 14 110 A G S > S- 0 0 16 -3,-0.3 4,-1.2 207,-0.1 3,-0.2 -0.373 91.6-101.7-101.9-177.6 49.0 91.6 44.2 15 111 A Y H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.809 114.0 69.7 -72.2 -31.4 45.4 91.5 43.1 16 112 A G H > S+ 0 0 2 -8,-0.3 4,-2.2 103,-0.2 -1,-0.2 0.923 102.3 45.0 -51.7 -46.1 45.2 87.8 44.0 17 113 A W H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.895 109.6 54.2 -66.1 -42.1 45.4 88.7 47.7 18 114 A G H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.871 111.2 47.0 -60.6 -35.2 42.9 91.5 47.4 19 115 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 112.5 48.0 -72.4 -42.8 40.5 89.0 45.8 20 116 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.890 110.0 54.1 -64.9 -37.9 41.1 86.4 48.5 21 117 A K H X S+ 0 0 45 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.912 112.6 41.9 -62.6 -44.5 40.7 89.0 51.2 22 118 A E H X S+ 0 0 12 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.831 111.5 55.5 -73.4 -34.0 37.3 90.1 49.9 23 119 A L H ><>S+ 0 0 2 -4,-2.3 3,-1.2 1,-0.2 5,-1.1 0.910 105.0 51.8 -66.3 -41.6 36.1 86.5 49.3 24 120 A S H ><5S+ 0 0 7 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.746 95.1 70.3 -68.6 -20.1 36.8 85.4 52.8 25 121 A K H 3<5S+ 0 0 49 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.872 103.7 44.7 -60.0 -33.1 34.7 88.4 54.0 26 122 A R T <<5S- 0 0 89 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.118 124.3-108.9 -96.3 18.5 31.8 86.3 52.6 27 123 A N T < 5 + 0 0 109 -3,-2.0 2,-0.4 1,-0.2 -25,-0.4 0.858 62.8 154.6 58.6 42.8 33.1 83.1 54.2 28 124 A V < - 0 0 7 -5,-1.1 2,-0.2 -8,-0.1 -25,-0.2 -0.852 47.2-116.7-101.2 136.8 34.3 81.3 51.1 29 125 A K E -a 3 0A 69 -27,-2.8 -25,-2.9 -2,-0.4 2,-0.4 -0.530 32.6-146.8 -70.6 135.6 37.0 78.8 51.5 30 126 A I E -ac 4 65A 0 34,-1.2 36,-2.1 -2,-0.2 37,-1.2 -0.898 17.5-173.1-113.5 135.0 40.2 79.7 49.7 31 127 A I E -ac 5 67A 0 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.3 -0.988 18.6-144.9-121.9 124.2 42.8 77.6 48.0 32 128 A F E -ac 6 68A 0 35,-2.5 37,-2.8 -2,-0.5 2,-0.6 -0.683 4.5-153.0 -93.1 144.8 46.0 79.2 46.7 33 129 A G E -ac 7 69A 1 -27,-2.4 -25,-2.1 -2,-0.3 -24,-1.6 -0.959 20.8-166.9-113.6 110.0 47.9 78.2 43.6 34 130 A I E - c 0 70A 0 35,-3.1 37,-3.1 -2,-0.6 5,-0.1 -0.880 25.5-116.9-108.2 128.2 51.5 79.2 44.0 35 131 A W >> - 0 0 112 -2,-0.5 3,-2.4 -26,-0.4 4,-0.6 -0.392 30.9-124.9 -58.5 118.7 54.1 79.3 41.2 36 132 A P H >> S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.791 104.0 65.0 -33.3 -52.4 56.7 76.7 42.2 37 133 A P H 34 S+ 0 0 39 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.771 116.7 27.5 -47.8 -32.4 59.7 79.1 42.0 38 134 A V H <> S+ 0 0 40 -3,-2.4 4,-1.7 2,-0.1 5,-0.1 0.275 94.2 99.4-115.8 10.0 58.3 81.1 44.9 39 135 A Y H S+ 0 0 85 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 111.9 52.1 -60.3 -32.0 59.7 81.3 50.1 42 138 A F H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.937 110.0 46.0 -69.0 -47.3 56.0 81.9 50.4 43 139 A M H X S+ 0 0 61 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.867 111.3 54.3 -61.8 -37.9 55.5 79.1 52.9 44 140 A K H X S+ 0 0 127 -4,-2.6 4,-2.3 2,-0.2 6,-0.2 0.949 110.8 44.3 -61.4 -50.1 58.4 80.3 54.9 45 141 A N H <>S+ 0 0 41 -4,-2.1 5,-1.9 1,-0.2 6,-0.5 0.878 115.0 49.2 -62.4 -39.6 57.0 83.9 55.1 46 142 A Y H ><5S+ 0 0 83 -4,-2.4 3,-1.2 1,-0.2 5,-0.2 0.913 112.0 48.4 -65.3 -44.7 53.5 82.5 56.0 47 143 A K H 3<5S+ 0 0 178 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.856 108.0 53.8 -64.9 -39.0 55.0 80.2 58.7 48 144 A N T 3<5S- 0 0 97 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.263 118.1-110.0 -82.3 12.8 57.0 83.0 60.3 49 145 A G T X 5S+ 0 0 19 -3,-1.2 3,-1.9 -5,-0.1 4,-0.4 0.517 73.8 139.1 74.1 7.1 53.9 85.2 60.6 50 146 A K T 3 S+ 0 0 16 -6,-0.5 4,-1.0 -5,-0.2 -1,-0.3 0.363 80.8 105.7-108.9 4.3 51.3 87.8 56.7 52 148 A D T X4 S+ 0 0 71 -3,-1.9 3,-0.6 1,-0.2 4,-0.3 0.875 84.1 44.8 -52.5 -44.4 49.5 87.8 60.0 53 149 A N G >4 S+ 0 0 136 -4,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.888 110.4 54.8 -68.4 -38.3 48.5 91.4 59.8 54 150 A D G 34 S+ 0 0 58 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.630 102.1 60.0 -70.1 -13.1 47.5 91.1 56.1 55 151 A M G << S+ 0 0 3 -4,-1.0 8,-2.2 -3,-0.6 2,-0.6 0.497 75.9 109.6 -93.4 -5.3 45.1 88.3 57.0 56 152 A I E < -G 62 0B 91 -3,-1.2 2,-0.3 -4,-0.3 6,-0.2 -0.619 61.2-145.3 -77.5 118.9 42.9 90.2 59.4 57 153 A I E >> -G 61 0B 3 4,-2.9 3,-1.9 -2,-0.6 4,-1.3 -0.611 20.9-115.6 -84.7 143.5 39.5 90.8 57.9 58 154 A D T 34 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.3 2,-0.1 0.872 113.0 64.1 -40.2 -55.5 37.7 94.1 58.7 59 155 A K T 34 S- 0 0 137 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.305 127.3 -97.8 -59.1 13.5 34.8 92.4 60.6 60 156 A D T <4 S+ 0 0 139 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.980 84.7 123.2 66.2 58.6 37.5 91.3 63.1 61 157 A K E < -G 57 0B 95 -4,-1.3 -4,-2.9 -6,-0.1 2,-0.4 -0.889 62.9-105.7-140.4 169.9 38.2 87.8 61.7 62 158 A K E -G 56 0B 99 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.843 36.5-113.7-102.2 134.9 41.1 85.7 60.4 63 159 A M - 0 0 6 -8,-2.2 2,-0.8 -2,-0.4 -42,-0.1 -0.511 33.9-138.1 -65.3 130.6 41.3 85.1 56.7 64 160 A N - 0 0 111 -2,-0.2 -34,-1.2 -36,-0.2 2,-0.7 -0.820 17.7-169.0-103.5 107.4 40.8 81.3 56.3 65 161 A I E -c 30 0A 31 -2,-0.8 -34,-0.2 1,-0.2 3,-0.1 -0.813 6.7-166.4 -94.8 113.6 43.0 79.6 53.8 66 162 A L E - 0 0 53 -36,-2.1 2,-0.3 -2,-0.7 -35,-0.2 0.909 68.1 -25.5 -64.1 -44.9 41.9 76.0 53.1 67 163 A D E -c 31 0A 37 -37,-1.2 -35,-2.5 2,-0.0 2,-0.4 -0.986 48.2-139.0-164.8 164.4 45.2 75.0 51.4 68 164 A M E -c 32 0A 12 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.971 27.4-177.3-136.4 116.3 48.2 76.3 49.5 69 165 A L E -c 33 0A 15 -37,-2.8 -35,-3.1 -2,-0.4 2,-0.1 -0.915 31.3-112.3-122.9 143.6 49.4 74.2 46.5 70 166 A P E +c 34 0A 16 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.468 45.1 174.6 -67.3 141.4 52.3 74.5 44.1 71 167 A F - 0 0 7 -37,-3.1 2,-0.5 -2,-0.1 27,-0.2 -0.936 22.7-168.3-156.7 127.1 51.0 75.3 40.6 72 168 A D > - 0 0 7 25,-2.7 3,-1.4 -2,-0.3 27,-0.3 -0.963 9.3-160.1-121.4 117.0 52.5 76.1 37.3 73 169 A A T 3 S+ 0 0 11 -2,-0.5 78,-0.1 1,-0.3 -1,-0.1 0.528 85.5 70.9 -71.2 -6.3 50.2 77.4 34.5 74 170 A S T 3 S+ 0 0 34 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.464 90.5 66.1 -90.6 -0.0 52.7 76.5 31.8 75 171 A F < - 0 0 16 -3,-1.4 24,-2.6 22,-0.2 -3,-0.2 -0.976 53.1-178.3-126.0 120.0 52.2 72.7 32.2 76 172 A D S S+ 0 0 35 -2,-0.5 24,-2.7 22,-0.2 25,-0.3 0.933 70.2 4.0 -80.2 -49.4 48.9 71.1 31.4 77 173 A T S > S- 0 0 17 22,-0.2 3,-1.9 23,-0.1 4,-0.3 -0.814 81.9 -92.4-132.8 173.1 49.7 67.5 32.3 78 174 A A G > S+ 0 0 48 1,-0.3 3,-1.2 -2,-0.3 19,-0.0 0.852 120.3 55.0 -54.2 -41.3 52.4 65.4 33.8 79 175 A N G 3 S+ 0 0 148 1,-0.2 -1,-0.3 -4,-0.0 -4,-0.0 0.479 93.6 71.3 -76.2 0.7 54.0 64.5 30.5 80 176 A D G < S+ 0 0 78 -3,-1.9 2,-0.6 2,-0.1 -1,-0.2 0.549 71.6 106.8 -90.5 -7.4 54.4 68.2 29.5 81 177 A I < - 0 0 24 -3,-1.2 -6,-0.0 -4,-0.3 2,-0.0 -0.620 66.6-138.9 -79.1 116.0 57.1 68.8 32.0 82 178 A D > - 0 0 67 -2,-0.6 4,-2.5 1,-0.1 3,-0.2 -0.318 18.4-116.8 -69.6 154.0 60.5 69.1 30.3 83 179 A E H > S+ 0 0 151 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.779 109.8 62.1 -63.5 -29.5 63.6 67.5 31.8 84 180 A E H 4 S+ 0 0 165 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.953 116.2 29.8 -63.2 -49.7 65.4 70.8 32.5 85 181 A T H >4 S+ 0 0 31 1,-0.2 3,-1.9 2,-0.2 6,-0.2 0.830 110.1 70.7 -76.7 -32.7 62.7 72.0 34.9 86 182 A K H 3< S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 112.7 30.3 -53.5 -26.9 61.9 68.4 35.9 87 183 A N T 3< S+ 0 0 108 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.220 92.7 135.4-117.0 10.6 65.3 68.5 37.6 88 184 A N X> - 0 0 62 -3,-1.9 4,-2.0 1,-0.1 3,-0.7 -0.236 66.7-115.2 -60.6 149.9 65.3 72.3 38.5 89 185 A K T 34 S+ 0 0 148 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.887 114.1 42.9 -51.9 -46.3 66.4 73.3 42.0 90 186 A R T 34 S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.1 -50,-0.1 0.615 115.7 46.8 -80.8 -14.9 62.9 74.6 42.9 91 187 A Y T X4 S+ 0 0 16 -3,-0.7 3,-2.5 -6,-0.2 -2,-0.2 0.782 89.2 80.6 -97.7 -31.0 60.8 71.8 41.4 92 188 A N T 3< S+ 0 0 95 -4,-2.0 -2,-0.1 1,-0.3 -3,-0.1 0.871 95.3 44.2 -40.8 -60.0 62.5 68.7 42.6 93 189 A M T 3 S+ 0 0 135 -4,-0.5 2,-0.3 2,-0.0 -1,-0.3 0.292 109.7 75.5 -75.4 13.2 61.0 68.6 46.1 94 190 A L < + 0 0 25 -3,-2.5 2,-0.3 3,-0.0 3,-0.1 -0.865 55.8 174.0-123.9 159.0 57.6 69.4 44.6 95 191 A Q + 0 0 143 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.960 53.0 37.6-155.0 169.4 55.0 67.3 42.7 96 192 A N + 0 0 75 -2,-0.3 9,-0.1 1,-0.1 -1,-0.1 0.857 68.6 134.2 51.8 42.2 51.5 67.4 41.2 97 193 A Y + 0 0 15 4,-0.1 -25,-2.7 -3,-0.1 -22,-0.2 0.221 33.2 105.0-105.4 14.0 51.9 71.0 40.1 98 194 A T S > S- 0 0 5 -27,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.483 85.4-104.1 -87.4 166.4 50.5 70.8 36.6 99 195 A I H > S+ 0 0 0 -24,-2.6 4,-1.5 -27,-0.3 -22,-0.2 0.925 121.8 42.9 -56.6 -49.1 47.0 72.1 35.7 100 196 A E H > S+ 0 0 68 -24,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 113.0 54.7 -66.4 -36.4 45.4 68.6 35.6 101 197 A D H > S+ 0 0 29 -25,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.919 108.4 44.9 -65.7 -45.2 47.3 67.5 38.7 102 198 A V H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.859 111.2 56.6 -68.7 -29.2 46.1 70.3 41.0 103 199 A A H X S+ 0 0 2 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.935 113.4 38.9 -63.9 -45.1 42.6 69.7 39.6 104 200 A N H X S+ 0 0 88 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.898 115.8 53.6 -69.3 -41.2 42.7 66.1 40.7 105 201 A L H X S+ 0 0 28 -4,-3.0 4,-1.9 2,-0.2 5,-0.2 0.951 112.2 43.1 -57.9 -54.0 44.5 67.0 43.9 106 202 A I H X>S+ 0 0 0 -4,-3.2 4,-3.4 1,-0.2 5,-0.6 0.933 115.6 48.8 -59.2 -48.7 41.9 69.5 44.9 107 203 A H H X5S+ 0 0 78 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.882 110.3 51.6 -59.9 -40.1 39.0 67.2 43.9 108 204 A Q H <5S+ 0 0 162 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 121.0 32.7 -66.4 -35.3 40.6 64.3 45.8 109 205 A K H <5S+ 0 0 114 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.829 135.7 14.5 -92.4 -34.7 40.9 66.4 49.0 110 206 A Y H <5S- 0 0 77 -4,-3.4 2,-0.2 1,-0.3 -3,-0.2 0.438 89.8-130.4-125.7 1.0 37.9 68.8 48.9 111 207 A G << - 0 0 28 -4,-1.3 -1,-0.3 -5,-0.6 2,-0.2 -0.573 61.8 -8.9 86.4-150.3 35.4 67.7 46.4 112 208 A K - 0 0 114 -2,-0.2 48,-0.2 48,-0.0 2,-0.2 -0.615 61.7-154.5 -90.2 146.5 33.9 70.1 43.8 113 209 A I E - d 0 160A 0 46,-2.5 48,-1.8 -2,-0.2 -109,-0.1 -0.616 12.1-160.1-110.8 173.5 34.5 73.8 43.8 114 210 A N E + 0 0 21 -111,-1.6 51,-2.0 46,-0.2 2,-0.3 0.254 69.9 61.6-139.4 13.1 32.4 76.7 42.4 115 211 A M E -bd 4 165A 10 -112,-1.1 -110,-2.2 49,-0.2 2,-0.4 -0.968 53.6-178.7-146.5 125.9 34.7 79.6 42.0 116 212 A L E -bd 5 166A 0 49,-2.3 51,-2.2 -2,-0.3 2,-0.5 -0.987 5.3-167.4-129.1 132.5 37.9 79.9 39.9 117 213 A V E -bd 6 167A 0 -112,-2.6 -110,-2.9 -2,-0.4 2,-0.8 -0.966 8.0-164.0-126.2 119.5 40.2 82.9 39.7 118 214 A H E +bd 7 168A 2 49,-3.0 51,-0.8 -2,-0.5 -110,-0.1 -0.884 25.7 155.5 -98.0 108.9 42.9 83.2 37.0 119 215 A S + 0 0 22 -112,-2.7 2,-0.3 -2,-0.8 -103,-0.2 -0.248 36.7 97.8-131.7 47.5 45.2 86.0 38.4 120 216 A L + 0 0 35 25,-0.1 2,-0.3 49,-0.1 49,-0.2 -0.915 34.4 164.3-135.5 161.2 48.5 85.3 36.7 121 217 A A + 0 0 47 -2,-0.3 2,-0.3 27,-0.0 24,-0.1 -0.959 5.0 175.9-167.1 156.4 50.6 86.5 33.7 122 218 A N - 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0 0 60 25,-0.3 27,-2.8 111,-0.1 2,-0.5 -0.676 360.0-174.2 -87.1 130.8 20.5 104.3 52.5 233 99 B I E -h 259 0C 18 -2,-0.4 111,-1.6 25,-0.2 112,-1.2 -0.983 4.0-169.7-126.2 120.1 17.8 106.1 50.7 234 100 B C E -hi 260 345C 0 25,-3.2 27,-2.7 -2,-0.5 2,-0.6 -0.911 11.0-153.7-113.3 136.8 17.2 105.4 47.0 235 101 B F E -hi 261 346C 0 110,-2.4 112,-2.7 -2,-0.4 2,-0.6 -0.939 11.1-163.4-108.1 118.9 15.0 107.4 44.7 236 102 B I E -hi 262 347C 0 25,-2.8 27,-2.4 -2,-0.6 2,-0.7 -0.915 0.8-164.0-106.6 117.3 13.7 105.3 41.8 237 103 B A E +hi 263 348C 0 110,-2.5 112,-2.8 -2,-0.6 27,-0.1 -0.890 65.7 44.4-103.8 113.8 12.3 107.3 38.9 238 104 B G + 0 0 23 25,-1.9 2,-0.4 -2,-0.7 8,-0.3 0.692 63.5 138.7 119.3 64.9 10.1 105.3 36.5 239 105 B I + 0 0 7 24,-1.0 26,-0.3 -3,-0.1 -1,-0.2 -0.979 4.5 149.5-137.4 122.9 7.7 102.9 38.1 240 106 B G S S- 0 0 32 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.416 74.6 -14.5-128.3 -6.7 4.2 102.5 36.9 241 107 B D S S- 0 0 32 40,-0.0 -1,-0.3 31,-0.0 3,-0.3 -0.916 76.2 -86.5-172.4-168.9 3.6 98.9 37.9 242 108 B T S S+ 0 0 19 -2,-0.3 -3,-0.0 1,-0.2 209,-0.0 0.189 104.8 78.8-105.7 15.8 5.4 95.7 39.1 243 109 B N S S+ 0 0 96 4,-0.1 -1,-0.2 206,-0.0 2,-0.1 0.509 81.4 75.4-101.2 -5.6 6.2 94.4 35.6 244 110 B G S > S- 0 0 15 -3,-0.3 4,-1.1 207,-0.1 3,-0.1 -0.244 91.8 -99.9 -98.4-173.2 9.2 96.6 34.8 245 111 B Y H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.783 113.9 68.9 -77.6 -28.0 12.8 96.8 35.9 246 112 B G H > S+ 0 0 3 -8,-0.3 4,-2.1 103,-0.2 -1,-0.2 0.907 102.1 46.7 -56.6 -41.3 12.1 99.6 38.3 247 113 B W H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.922 110.0 50.8 -68.5 -44.7 10.3 97.1 40.5 248 114 B G H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.856 111.7 49.9 -60.8 -33.8 12.9 94.4 40.3 249 115 B I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.911 111.6 47.6 -70.1 -41.6 15.5 97.0 41.3 250 116 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.921 110.6 52.4 -63.7 -45.0 13.3 98.1 44.2 251 117 B K H X S+ 0 0 51 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.923 112.9 43.3 -57.9 -48.3 12.8 94.5 45.3 252 118 B E H X S+ 0 0 15 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.845 111.4 55.1 -68.1 -34.3 16.5 93.8 45.3 253 119 B L H ><>S+ 0 0 1 -4,-2.2 5,-1.6 1,-0.2 3,-0.7 0.871 103.3 55.1 -67.6 -35.8 17.3 97.1 47.1 254 120 B S H ><5S+ 0 0 10 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.796 94.8 67.5 -68.3 -26.4 14.9 96.3 49.9 255 121 B K H 3<5S+ 0 0 54 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.881 103.5 46.3 -58.2 -36.0 16.8 93.0 50.5 256 122 B R T <<5S- 0 0 80 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.240 121.2-112.8 -91.0 12.5 19.7 95.2 51.6 257 123 B N T < 5 + 0 0 119 -3,-2.1 2,-0.4 1,-0.2 -25,-0.3 0.797 61.6 153.2 63.5 34.0 17.4 97.4 53.7 258 124 B V < - 0 0 7 -5,-1.6 -1,-0.2 -8,-0.1 -25,-0.2 -0.787 49.2-113.4 -94.9 137.9 17.6 100.6 51.7 259 125 B K E -h 233 0C 80 -27,-2.8 -25,-3.2 -2,-0.4 2,-0.5 -0.503 31.5-144.8 -68.4 134.9 14.6 102.9 51.9 260 126 B I E -hj 234 295C 0 34,-1.0 36,-1.8 -2,-0.2 37,-1.0 -0.895 15.2-171.1-110.1 125.7 12.8 103.2 48.6 261 127 B I E -hj 235 297C 0 -27,-2.7 -25,-2.8 -2,-0.5 2,-0.4 -0.962 17.6-145.9-112.7 122.7 11.1 106.4 47.3 262 128 B F E -hj 236 298C 0 35,-2.7 37,-2.8 -2,-0.5 2,-0.6 -0.728 6.7-157.6 -92.9 137.4 9.0 105.9 44.1 263 129 B G E -hj 237 299C 1 -27,-2.4 -25,-1.9 -2,-0.4 -24,-1.0 -0.947 20.3-167.2-111.4 107.1 8.7 108.6 41.4 264 130 B I E - j 0 300C 0 35,-3.0 37,-3.3 -2,-0.6 -24,-0.1 -0.838 24.1-118.0-105.1 132.9 5.5 107.9 39.5 265 131 B W >> - 0 0 107 -2,-0.4 3,-1.9 -26,-0.3 4,-0.6 -0.462 28.3-126.8 -65.0 125.6 4.5 109.4 36.2 266 132 B P H >> S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.804 103.2 65.8 -42.6 -45.4 1.2 111.4 36.8 267 133 B P H 34 S+ 0 0 37 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 0.835 118.7 25.3 -52.2 -32.0 -0.8 109.7 34.0 268 134 B V H <> S+ 0 0 38 -3,-1.9 4,-1.9 2,-0.1 5,-0.2 0.312 95.6 100.4-115.0 8.4 -0.6 106.5 35.9 269 135 B Y H S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.854 110.8 49.7 -64.4 -34.3 -4.1 104.0 39.1 272 138 B F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.937 112.2 46.4 -69.1 -47.2 -0.9 102.9 40.8 273 139 B M H X S+ 0 0 63 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.916 111.1 54.2 -60.3 -43.4 -2.1 104.2 44.2 274 140 B K H X S+ 0 0 126 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.962 112.2 41.5 -54.9 -57.7 -5.5 102.6 43.7 275 141 B N H <>S+ 0 0 46 -4,-2.2 5,-3.4 1,-0.2 6,-0.5 0.880 116.2 51.4 -59.3 -39.6 -4.0 99.1 43.0 276 142 B Y H ><5S+ 0 0 81 -4,-2.6 3,-1.5 3,-0.2 5,-0.2 0.962 112.1 44.2 -62.0 -53.3 -1.5 99.6 45.8 277 143 B K H 3<5S+ 0 0 192 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.881 111.0 53.7 -60.6 -42.1 -4.1 100.6 48.4 278 144 B N T 3<5S- 0 0 100 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.284 120.9-109.5 -78.4 13.1 -6.5 97.8 47.4 279 145 B G T < 5S+ 0 0 27 -3,-1.5 3,-0.3 -5,-0.1 4,-0.2 0.851 73.0 139.7 64.2 41.1 -3.7 95.4 47.9 280 146 B K S S+ 0 0 16 -6,-0.5 4,-0.8 -5,-0.2 -1,-0.2 0.226 81.1 107.2-105.6 12.5 0.8 94.4 44.8 282 148 B D T >4 S+ 0 0 73 -3,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.891 82.9 45.0 -57.2 -43.0 0.8 92.6 48.1 283 149 B N G >4 S+ 0 0 129 1,-0.2 3,-0.8 -4,-0.2 -1,-0.2 0.794 110.5 55.3 -71.9 -28.1 2.1 89.4 46.6 284 150 B D G 34 S+ 0 0 60 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.571 99.2 61.7 -81.3 -8.9 4.7 91.3 44.6 285 151 B M G << S+ 0 0 9 -4,-0.8 8,-3.1 -3,-0.6 2,-0.5 0.355 75.9 112.8 -97.2 4.7 6.1 92.9 47.7 286 152 B I E < -N 292 0D 76 -3,-0.8 2,-0.8 6,-0.2 6,-0.2 -0.675 54.2-157.3 -80.7 123.8 7.1 89.6 49.3 287 153 B I E > -N 291 0D 1 4,-3.9 4,-1.7 -2,-0.5 -1,-0.0 -0.806 30.6-111.9-108.6 92.5 10.9 89.3 49.5 288 154 B D T 4 S+ 0 0 124 -2,-0.8 2,-4.9 1,-0.3 -1,-0.1 0.165 112.3 63.7 24.3 -83.0 11.9 85.7 49.8 289 155 B K T 4 S- 0 0 158 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.071 131.1 -89.7 -58.5 45.8 13.2 85.7 53.3 290 156 B D T 4 S+ 0 0 153 -2,-4.9 2,-0.3 1,-0.2 -1,-0.2 0.860 84.8 150.1 44.3 43.2 9.7 86.6 54.4 291 157 B K E < -N 287 0D 56 -4,-1.7 -4,-3.9 3,-0.0 2,-0.6 -0.794 43.5-139.4-104.1 149.0 10.5 90.3 54.0 292 158 B K E -N 286 0D 98 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.939 27.8-115.9-110.5 116.7 8.0 92.9 53.0 293 159 B M - 0 0 5 -8,-3.1 2,-0.7 -2,-0.6 -42,-0.1 -0.310 32.4-141.7 -51.8 113.1 9.4 95.5 50.6 294 160 B N - 0 0 126 -2,-0.2 -34,-1.0 -36,-0.1 2,-0.7 -0.732 13.0-162.0 -89.5 114.6 9.3 98.7 52.5 295 161 B I E -j 260 0C 29 -2,-0.7 -34,-0.2 1,-0.2 3,-0.1 -0.833 5.7-167.1 -97.9 114.3 8.3 101.8 50.5 296 162 B L E - 0 0 57 -36,-1.8 2,-0.3 -2,-0.7 -35,-0.2 0.955 66.8 -19.8 -63.0 -55.0 9.3 105.1 52.1 297 163 B D E -j 261 0C 35 -37,-1.0 -35,-2.7 2,-0.0 2,-0.4 -0.976 49.2-142.9-153.6 162.6 7.2 107.4 49.9 298 164 B M E +j 262 0C 15 -2,-0.3 -35,-0.2 -37,-0.2 -37,-0.1 -0.892 26.7 179.5-136.0 104.1 5.4 107.6 46.6 299 165 B L E -j 263 0C 16 -37,-2.8 -35,-3.0 -2,-0.4 2,-0.2 -0.816 32.8-113.5-112.1 143.8 5.6 110.9 44.7 300 166 B P E +j 264 0C 14 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.514 43.6 178.4 -69.4 139.6 4.2 112.0 41.4 301 167 B F - 0 0 6 -37,-3.3 2,-0.5 -2,-0.2 27,-0.2 -0.968 21.4-169.6-150.6 128.1 7.1 112.7 39.0 302 168 B D > - 0 0 5 25,-2.9 3,-1.6 -2,-0.3 27,-0.4 -0.944 9.7-159.3-124.2 111.7 7.3 113.9 35.4 303 169 B A T 3 S+ 0 0 11 -2,-0.5 78,-0.1 1,-0.3 -1,-0.1 0.517 84.6 69.5 -65.2 -9.3 10.8 113.7 33.8 304 170 B S T 3 S+ 0 0 30 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.575 89.2 71.1 -88.4 -5.7 9.9 116.2 31.0 305 171 B F < + 0 0 19 -3,-1.6 24,-2.8 22,-0.2 25,-0.2 -0.924 51.5 179.8-116.9 116.6 9.7 119.2 33.4 306 172 B D S S+ 0 0 35 -2,-0.6 24,-2.7 22,-0.2 2,-0.3 0.960 71.7 10.5 -76.0 -53.6 12.8 120.6 35.0 307 173 B T S > S- 0 0 18 22,-0.2 3,-2.0 23,-0.1 4,-0.4 -0.822 82.7 -99.7-125.2 166.6 11.3 123.4 37.1 308 174 B A G > S+ 0 0 56 1,-0.3 3,-0.7 -2,-0.3 19,-0.0 0.770 120.5 54.8 -54.8 -30.4 7.8 124.5 38.1 309 175 B N G 3 S+ 0 0 144 1,-0.2 -1,-0.3 -4,-0.0 -3,-0.0 0.112 92.8 72.1 -95.4 26.9 7.7 127.2 35.3 310 176 B D G < S+ 0 0 77 -3,-2.0 2,-0.4 2,-0.1 -1,-0.2 0.538 74.7 97.2-106.6 -18.5 8.5 124.7 32.6 311 177 B I S < S- 0 0 27 -3,-0.7 2,-0.1 -4,-0.4 -6,-0.0 -0.605 74.2-130.8 -77.8 129.8 5.0 123.1 32.8 312 178 B D > - 0 0 69 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.337 21.2-109.2 -76.1 160.1 2.6 124.4 30.1 313 179 B E H > S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.881 114.1 56.7 -56.5 -42.1 -0.9 125.5 30.9 314 180 B E H >> S+ 0 0 156 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.956 113.1 35.7 -58.1 -57.2 -2.5 122.5 29.2 315 181 B T H 34 S+ 0 0 34 1,-0.2 3,-0.3 2,-0.2 6,-0.2 0.854 112.7 63.6 -66.4 -30.6 -0.7 119.8 31.2 316 182 B K H 3< S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 114.9 30.4 -59.8 -35.5 -0.9 122.0 34.3 317 183 B N H << S+ 0 0 86 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.437 91.7 132.2-103.2 -3.4 -4.7 121.9 34.1 318 184 B N S >X S- 0 0 64 -4,-1.0 4,-2.9 -3,-0.3 3,-1.1 -0.123 71.2-110.9 -52.1 144.9 -5.0 118.4 32.6 319 185 B K T 34 S+ 0 0 154 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.808 117.9 44.1 -44.6 -40.2 -7.5 116.0 34.2 320 186 B R T 34 S+ 0 0 83 1,-0.1 -1,-0.3 2,-0.1 -50,-0.1 0.706 120.6 37.8 -83.2 -22.6 -4.6 113.8 35.6 321 187 B Y T X4 S+ 0 0 19 -3,-1.1 3,-3.0 -6,-0.2 -2,-0.2 0.766 89.6 86.4 -99.3 -32.9 -2.3 116.6 36.8 322 188 B N T 3< S+ 0 0 102 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.816 95.4 42.5 -35.1 -53.0 -4.7 119.2 38.3 323 189 B M T 3 S+ 0 0 126 -4,-0.4 2,-0.3 -6,-0.0 -1,-0.3 0.308 105.4 79.5 -84.1 8.5 -4.9 117.6 41.7 324 190 B L < - 0 0 23 -3,-3.0 2,-0.3 3,-0.0 3,-0.1 -0.814 56.7-175.7-115.1 157.4 -1.1 116.9 41.9 325 191 B Q + 0 0 142 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.969 54.4 29.6-149.3 163.2 1.8 119.3 42.7 326 192 B N + 0 0 74 -2,-0.3 -1,-0.1 1,-0.1 9,-0.1 0.892 68.8 136.8 54.6 47.1 5.6 119.4 43.0 327 193 B Y + 0 0 12 -3,-0.1 -25,-2.9 -26,-0.1 -22,-0.2 0.335 33.9 103.4-104.6 6.6 6.1 116.8 40.2 328 194 B T S > S- 0 0 2 -27,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.484 86.2-106.2 -84.1 161.6 8.9 118.5 38.3 329 195 B I H > S+ 0 0 0 -24,-2.8 4,-1.5 -27,-0.4 -23,-0.2 0.910 120.7 46.9 -52.3 -47.4 12.5 117.3 38.7 330 196 B E H > S+ 0 0 59 -24,-2.7 4,-2.1 -25,-0.2 -1,-0.2 0.913 112.1 50.0 -63.4 -43.5 13.5 120.4 40.8 331 197 B D H > S+ 0 0 27 -25,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.854 108.7 49.6 -66.3 -38.1 10.4 120.1 43.1 332 198 B V H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.865 110.3 53.4 -70.0 -32.5 10.8 116.4 43.9 333 199 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.947 113.5 41.1 -64.8 -48.0 14.4 117.1 44.7 334 200 B N H X S+ 0 0 84 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.861 115.9 52.9 -66.6 -34.6 13.5 119.8 47.1 335 201 B L H X S+ 0 0 28 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.944 111.3 43.6 -66.2 -50.0 10.6 117.7 48.4 336 202 B I H X>S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.8 0.925 114.9 49.7 -62.1 -45.7 12.7 114.7 49.2 337 203 B H H X5S+ 0 0 88 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.829 111.1 50.9 -63.1 -32.3 15.5 116.8 50.7 338 204 B Q H <5S+ 0 0 158 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.878 119.8 33.1 -74.0 -40.1 12.9 118.5 52.9 339 205 B K H <5S+ 0 0 115 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.2 0.842 139.7 12.4 -86.7 -35.4 11.3 115.4 54.2 340 206 B Y H <5S- 0 0 74 -4,-3.2 -3,-0.2 1,-0.3 2,-0.2 0.471 91.3-137.9-122.5 -4.6 14.2 113.0 54.4 341 207 B G << + 0 0 23 -5,-0.8 -1,-0.3 -4,-0.7 2,-0.2 -0.544 63.9 2.0 81.7-148.3 17.3 115.1 53.9 342 208 B K - 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