==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JAN-09 3FR6 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.PERBANDT,E.LIEBAU,G.RICCI . 401 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 0 0 2 0 0 3 1 5 1 0 1 0 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A G 0 0 131 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 122.3 -8.1 21.6 27.8 2 3 A D - 0 0 105 1,-0.1 2,-0.3 61,-0.0 63,-0.0 -0.428 360.0-108.2 -67.1 142.6 -6.0 21.8 24.7 3 4 A N - 0 0 130 -2,-0.1 61,-2.3 26,-0.0 2,-0.5 -0.578 32.8-145.7 -64.1 133.6 -7.7 22.8 21.4 4 5 A I E +A 63 0A 32 -2,-0.3 26,-2.7 59,-0.2 2,-0.4 -0.942 21.3 177.5-108.7 123.2 -8.1 19.8 19.1 5 6 A V E -Ab 62 30A 20 57,-2.9 57,-3.6 -2,-0.5 2,-0.6 -0.991 15.9-158.6-128.0 133.9 -7.8 20.4 15.4 6 7 A L E -Ab 61 31A 0 24,-2.6 26,-1.0 -2,-0.4 2,-0.4 -0.950 10.4-162.5-109.5 121.0 -7.9 17.9 12.5 7 8 A Y E +Ab 60 32A 31 53,-3.1 53,-1.8 -2,-0.6 2,-0.3 -0.873 33.2 115.1-104.2 135.6 -6.3 18.9 9.3 8 9 A Y E - b 0 33A 3 24,-1.2 26,-2.1 -2,-0.4 2,-0.1 -0.924 63.1 -69.7-171.0-177.8 -7.1 17.0 6.0 9 10 A F E - b 0 34A 14 24,-0.3 2,-2.1 -2,-0.3 26,-0.2 -0.278 59.7 -89.3 -78.5 168.9 -8.8 17.6 2.6 10 11 A D S S+ 0 0 77 24,-1.7 2,-0.3 23,-0.2 -1,-0.1 -0.336 101.9 81.3 -78.5 55.9 -12.5 18.0 2.2 11 12 A A S S- 0 0 31 -2,-2.1 4,-0.1 1,-0.2 23,-0.1 -0.864 82.7-115.9-146.8 177.2 -12.9 14.2 1.9 12 13 A R >> + 0 0 57 -2,-0.3 3,-2.2 3,-0.1 4,-0.9 0.940 66.7 122.9 -81.1 -66.1 -13.1 11.1 3.9 13 14 A G G >4 S- 0 0 14 1,-0.3 3,-0.7 2,-0.2 4,-0.3 -0.050 93.2 -19.2 39.8-135.0 -9.9 9.3 2.8 14 15 A K G 34 S+ 0 0 58 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.474 136.3 64.5 -73.8 -3.5 -7.6 8.4 5.6 15 16 A A G <> S+ 0 0 0 -3,-2.2 4,-1.6 1,-0.1 -1,-0.2 0.601 77.8 78.6 -97.7 -16.3 -9.3 10.9 7.9 16 17 A E H S+ 0 0 12 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.886 107.3 48.9 -60.7 -38.3 -11.9 6.9 10.8 18 19 A I H > S+ 0 0 0 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.897 110.4 52.3 -63.4 -39.0 -10.5 9.5 13.2 19 20 A R H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.880 109.1 49.7 -66.9 -39.8 -13.7 11.6 12.7 20 21 A L H X S+ 0 0 0 -4,-2.5 4,-4.0 2,-0.2 -1,-0.2 0.858 108.6 52.6 -60.8 -40.7 -15.8 8.6 13.6 21 22 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 6,-0.2 0.938 110.2 46.9 -66.9 -45.7 -13.7 7.9 16.7 22 23 A F H <>S+ 0 0 3 -4,-2.3 5,-1.6 2,-0.2 4,-0.4 0.834 116.4 46.8 -61.6 -35.7 -14.2 11.5 17.9 23 24 A A H ><5S+ 0 0 17 -4,-1.6 3,-0.8 3,-0.2 -2,-0.2 0.956 111.1 49.7 -69.1 -51.8 -17.9 11.1 17.1 24 25 A Y H 3<5S+ 0 0 72 -4,-4.0 -2,-0.2 1,-0.3 -3,-0.2 0.942 121.0 36.0 -52.5 -51.2 -18.2 7.8 18.8 25 26 A L T 3<5S- 0 0 47 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.521 105.8-133.9 -78.5 -9.5 -16.6 9.2 21.9 26 27 A G T < 5 + 0 0 51 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.787 47.3 157.1 64.5 27.0 -18.3 12.6 21.4 27 28 A I < - 0 0 33 -5,-1.6 2,-0.2 -6,-0.2 -1,-0.2 -0.679 40.6-120.1 -87.7 140.1 -15.1 14.5 22.0 28 29 A E + 0 0 156 -2,-0.3 2,-0.3 -5,-0.0 -24,-0.2 -0.574 43.4 147.3 -89.7 146.5 -15.1 18.0 20.4 29 30 A Y - 0 0 38 -2,-0.2 2,-0.5 -26,-0.1 -24,-0.2 -0.969 49.5 -98.5-161.4 160.0 -12.6 19.2 17.8 30 31 A T E -b 5 0A 81 -26,-2.7 -24,-2.6 -2,-0.3 2,-1.4 -0.818 28.6-147.5 -89.6 126.6 -12.4 21.6 14.8 31 32 A D E -b 6 0A 49 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.1 -0.627 20.0-170.3 -93.8 77.3 -12.7 19.6 11.6 32 33 A K E -b 7 0A 78 -2,-1.4 -24,-1.2 -26,-1.0 2,-0.4 -0.590 5.5-175.9 -77.3 117.1 -10.4 21.7 9.4 33 34 A R E > -b 8 0A 55 -2,-0.5 3,-0.6 -26,-0.2 2,-0.4 -0.932 20.2-131.1-117.1 137.6 -10.8 20.6 5.7 34 35 A F E 3 S+b 9 0A 6 -26,-2.1 -24,-1.7 -2,-0.4 6,-0.2 -0.723 84.7 17.5 -87.6 132.4 -8.7 21.9 2.8 35 36 A G T 3 + 0 0 19 -2,-0.4 5,-0.2 4,-0.2 -1,-0.2 0.746 67.4 137.6 89.0 25.1 -10.6 23.0 -0.3 36 37 A V S < S- 0 0 81 -3,-0.6 -2,-0.1 3,-0.1 4,-0.0 0.952 98.6 -5.5 -59.5 -46.9 -14.1 23.4 0.9 37 38 A N S S+ 0 0 162 2,-0.0 -1,-0.1 3,-0.0 2,-0.1 0.721 132.8 39.1-118.2 -41.4 -14.2 26.5 -1.1 38 39 A G S S- 0 0 48 1,-0.1 2,-0.9 2,-0.0 3,-0.1 -0.109 104.7 -46.7-102.5-160.6 -10.8 27.2 -2.6 39 40 A D > - 0 0 65 1,-0.2 4,-2.1 -2,-0.1 -4,-0.2 -0.648 44.3-157.1 -79.0 105.9 -7.9 25.4 -4.1 40 41 A A H > S+ 0 0 20 -2,-0.9 4,-2.5 -5,-0.2 -1,-0.2 0.800 89.8 53.3 -47.4 -39.5 -7.2 22.4 -1.8 41 42 A F H > S+ 0 0 34 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.947 105.7 48.6 -73.1 -48.3 -3.6 22.2 -3.0 42 43 A V H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 113.9 50.0 -52.0 -46.9 -2.5 25.8 -2.4 43 44 A E H X S+ 0 0 56 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.961 112.8 45.9 -57.4 -54.0 -4.0 25.5 1.1 44 45 A F H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.909 110.1 54.1 -54.7 -49.4 -2.1 22.2 1.7 45 46 A K H X S+ 0 0 116 -4,-3.7 4,-0.8 1,-0.2 -1,-0.2 0.933 113.7 42.0 -51.7 -49.0 1.1 23.8 0.3 46 47 A N H X S+ 0 0 52 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.789 109.6 59.1 -67.7 -31.0 0.8 26.7 2.8 47 48 A F H X S+ 0 0 4 -4,-2.3 4,-3.4 -5,-0.2 -1,-0.2 0.903 101.4 53.6 -63.7 -42.3 -0.2 24.4 5.6 48 49 A K H < S+ 0 0 36 -4,-2.2 5,-0.4 2,-0.2 -1,-0.2 0.742 111.6 47.0 -68.0 -24.2 3.0 22.4 5.2 49 50 A K H < S+ 0 0 149 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.938 116.9 41.4 -69.8 -60.9 4.9 25.7 5.6 50 51 A E H < S+ 0 0 146 -4,-2.7 2,-0.4 2,-0.1 -2,-0.2 0.884 115.9 54.9 -58.9 -41.2 2.9 26.9 8.6 51 52 A K S < S- 0 0 40 -4,-3.4 2,-1.3 -5,-0.2 -1,-0.0 -0.767 80.1-130.5-103.8 141.6 2.9 23.5 10.3 52 53 A D + 0 0 138 -2,-0.4 -3,-0.1 4,-0.0 -4,-0.1 -0.667 36.8 179.4 -89.5 91.9 5.9 21.3 11.1 53 54 A T - 0 0 16 -2,-1.3 3,-0.3 -5,-0.4 5,-0.1 -0.716 30.2-140.9 -99.5 144.2 4.9 17.9 9.7 54 55 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 0.889 99.1 15.0 -63.9 -43.5 7.1 14.7 9.9 55 56 A F S S- 0 0 129 2,-0.3 3,-0.1 0, 0.0 15,-0.0 0.060 101.3-109.7-126.5 21.6 6.3 13.4 6.4 56 57 A E S S+ 0 0 131 -3,-0.3 2,-0.3 1,-0.2 -8,-0.1 0.878 83.6 112.2 43.9 46.6 4.6 16.3 4.5 57 58 A Q - 0 0 63 2,-0.1 -2,-0.3 -9,-0.0 -1,-0.2 -0.994 56.4-109.8-146.2 150.3 1.3 14.5 4.7 58 59 A V S S+ 0 0 10 -2,-0.3 2,-0.2 -3,-0.1 -50,-0.1 -0.809 73.3 88.2-107.4 157.5 -2.1 14.8 6.3 59 60 A P + 0 0 6 0, 0.0 11,-0.9 0, 0.0 2,-0.4 0.298 61.1 178.0 -58.6 148.1 -4.1 13.7 8.3 60 61 A I E -AC 7 69A 0 -53,-1.8 -53,-3.1 -2,-0.2 2,-0.5 -0.996 14.2-162.0-128.9 128.6 -2.6 15.9 11.0 61 62 A L E -AC 6 68A 0 7,-3.4 7,-2.5 -2,-0.4 2,-0.6 -0.964 8.2-165.1-111.7 122.7 -4.1 15.9 14.5 62 63 A Q E +AC 5 67A 20 -57,-3.6 -57,-2.9 -2,-0.5 2,-0.5 -0.943 13.0 179.0-116.2 116.8 -3.2 18.8 16.6 63 64 A I E > S-AC 4 66A 19 3,-1.4 3,-2.0 -2,-0.6 2,-0.5 -0.977 76.5 -40.9-108.7 119.1 -3.8 18.9 20.4 64 65 A G T 3 S- 0 0 16 -61,-2.3 -59,-0.0 -2,-0.5 -2,-0.0 -0.500 122.5 -37.7 61.9-113.9 -2.5 22.2 21.8 65 66 A D T 3 S+ 0 0 147 -2,-0.5 -1,-0.3 2,-0.0 2,-0.1 0.392 109.2 121.2-116.4 -5.6 0.7 22.5 19.8 66 67 A L E < -C 63 0A 94 -3,-2.0 -3,-1.4 1,-0.1 2,-0.6 -0.411 55.1-149.4 -55.2 125.5 1.4 18.8 19.9 67 68 A I E -C 62 0A 51 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.938 16.8-177.2-112.2 118.2 1.6 17.8 16.3 68 69 A L E +C 61 0A 35 -7,-2.5 -7,-3.4 -2,-0.6 2,-0.3 -0.966 4.6 178.1-118.4 129.3 0.5 14.2 15.5 69 70 A A E +C 60 0A 19 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.784 41.0 65.3-127.1 168.8 0.7 12.7 12.0 70 71 A Q >> - 0 0 69 -11,-0.9 4,-2.5 -2,-0.3 3,-0.6 0.880 65.2-133.1 78.4 97.8 -0.0 9.3 10.4 71 72 A S H 3> S+ 0 0 10 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.872 102.7 51.0 -47.0 -50.9 -3.7 8.3 10.6 72 73 A Q H 3> S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 113.1 46.7 -55.6 -41.2 -3.2 4.7 11.8 73 74 A A H <> S+ 0 0 45 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.876 110.5 52.6 -69.2 -42.1 -0.9 5.9 14.6 74 75 A I H X S+ 0 0 2 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.951 110.2 49.1 -55.2 -49.4 -3.4 8.7 15.5 75 76 A V H X S+ 0 0 2 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.956 111.8 46.9 -60.8 -48.0 -6.2 6.0 15.7 76 77 A R H X S+ 0 0 65 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.919 115.1 48.2 -57.0 -42.8 -4.0 3.7 17.9 77 78 A Y H >X S+ 0 0 86 -4,-2.7 4,-1.9 1,-0.2 3,-0.5 0.968 111.5 47.7 -60.3 -54.2 -3.2 6.7 20.1 78 79 A L H 3X S+ 0 0 3 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.857 110.3 56.3 -55.7 -32.6 -6.8 7.9 20.3 79 80 A S H 3<>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 6,-0.4 0.812 106.8 44.2 -76.7 -31.8 -7.8 4.3 21.2 80 81 A K H X<5S+ 0 0 109 -4,-1.6 3,-2.0 -3,-0.5 -2,-0.2 0.967 113.5 52.1 -71.5 -56.4 -5.6 3.8 24.2 81 82 A K H 3<5S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.870 119.7 35.1 -42.6 -45.5 -6.4 7.2 25.6 82 83 A Y T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.132 110.7-112.3-112.1 22.7 -10.1 6.5 25.3 83 84 A N T < 5S+ 0 0 142 -3,-2.0 -3,-0.2 -4,-0.1 3,-0.1 0.848 78.1 119.7 63.6 42.9 -10.3 2.8 26.1 84 85 A I < + 0 0 6 -5,-2.8 72,-2.3 1,-0.1 73,-0.3 -0.135 50.2 82.8-127.6 37.9 -11.3 1.3 22.8 85 86 A C S S- 0 0 14 -6,-0.4 10,-0.2 1,-0.2 3,-0.2 0.125 101.5 -91.7-124.4 19.0 -8.4 -1.0 22.0 86 87 A G - 0 0 23 68,-0.3 -1,-0.2 1,-0.1 6,-0.1 0.166 29.6 -95.4 91.6 159.0 -9.5 -4.0 24.1 87 88 A E S S+ 0 0 157 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.322 93.6 46.4-102.5 9.6 -9.0 -5.2 27.7 88 89 A S S > S- 0 0 54 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.885 80.9-111.6-138.9 170.8 -6.1 -7.7 27.4 89 90 A E H > S+ 0 0 178 -2,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.931 122.3 46.8 -67.4 -44.5 -2.6 -7.9 25.8 90 91 A L H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.959 113.5 47.1 -56.3 -55.7 -4.0 -10.6 23.4 91 92 A N H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.785 108.3 53.8 -63.8 -29.3 -7.2 -8.5 22.6 92 93 A E H X S+ 0 0 80 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.893 110.5 50.9 -64.8 -39.5 -5.2 -5.3 21.9 93 94 A F H X S+ 0 0 114 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.938 108.2 49.2 -63.8 -50.8 -3.2 -7.5 19.5 94 95 A Y H X S+ 0 0 94 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.929 110.2 51.2 -56.7 -45.2 -6.3 -8.9 17.7 95 96 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.915 111.5 48.3 -57.3 -45.2 -7.8 -5.4 17.3 96 97 A D H X S+ 0 0 55 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.938 112.4 49.9 -57.4 -48.6 -4.4 -4.2 15.8 97 98 A M H X S+ 0 0 68 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.920 110.5 46.5 -61.7 -49.9 -4.4 -7.2 13.5 98 99 A I H X S+ 0 0 7 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.888 112.5 52.1 -66.6 -32.1 -7.9 -6.8 12.2 99 100 A F H X S+ 0 0 11 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.920 107.0 53.0 -64.1 -42.3 -7.1 -3.1 11.7 100 101 A C H X S+ 0 0 61 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.897 109.0 50.0 -55.9 -40.2 -4.0 -4.1 9.7 101 102 A G H X S+ 0 0 15 -4,-2.1 4,-1.8 2,-0.2 5,-0.3 0.896 108.8 53.8 -66.1 -38.8 -6.3 -6.3 7.6 102 103 A V H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.971 104.8 50.4 -61.8 -51.2 -8.6 -3.4 7.1 103 104 A Q H X S+ 0 0 31 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.779 108.4 57.2 -65.7 -15.7 -6.0 -0.9 5.8 104 105 A D H X S+ 0 0 71 -4,-1.0 4,-1.9 -3,-0.3 3,-0.3 0.988 114.9 32.1 -72.2 -65.0 -4.9 -3.6 3.3 105 106 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.824 116.6 60.0 -61.2 -29.2 -8.2 -4.2 1.6 106 107 A H H X S+ 0 0 12 -4,-3.0 4,-1.7 -5,-0.3 -1,-0.2 0.887 106.5 47.1 -69.3 -32.1 -9.0 -0.6 2.2 107 108 A Y H < S+ 0 0 100 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.887 106.8 56.6 -67.7 -41.1 -6.0 0.2 0.1 108 109 A K H >< S+ 0 0 72 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.890 107.4 50.8 -58.7 -39.7 -7.0 -2.3 -2.6 109 110 A F H >< S+ 0 0 4 -4,-2.0 3,-2.2 1,-0.3 -1,-0.2 0.930 106.2 51.8 -62.9 -50.5 -10.3 -0.4 -2.9 110 111 A N T 3< S+ 0 0 34 -4,-1.7 209,-0.3 1,-0.3 -1,-0.3 0.377 109.7 54.2 -70.0 7.8 -8.6 3.0 -3.3 111 112 A N T < S+ 0 0 40 -3,-1.0 2,-0.5 -4,-0.2 -1,-0.3 0.334 91.2 90.6-117.4 -1.8 -6.6 1.4 -6.0 112 113 A T < + 0 0 4 -3,-2.2 2,-0.3 -5,-0.1 7,-0.1 -0.868 49.9 143.5-102.2 128.4 -9.6 0.2 -8.0 113 114 A N > - 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0 0 27 -2,-0.4 5,-1.0 1,-0.1 4,-0.5 -0.945 61.0 -90.2-155.4 174.2 -5.7 9.9 -5.6 317 115 B L T >45S+ 0 0 44 -2,-0.3 3,-1.3 2,-0.2 5,-0.2 0.940 119.5 49.1 -52.2 -56.2 -6.3 11.3 -2.1 318 116 B F T 345S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.1 -207,-0.1 0.914 107.4 52.2 -58.7 -50.7 -5.9 8.0 -0.2 319 117 B K T 345S- 0 0 40 -209,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.644 99.5-142.5 -59.4 -14.1 -2.6 6.9 -1.9 320 118 B A T <<5 + 0 0 43 -3,-1.3 -3,-0.2 -4,-0.5 4,-0.1 0.784 67.9 117.1 51.4 36.3 -1.4 10.4 -0.8 321 119 B N >< + 0 0 29 -5,-1.0 4,-1.8 1,-0.1 5,-0.1 0.150 34.8 101.9-114.9 13.3 0.5 10.7 -4.1 322 120 B E H > S+ 0 0 13 -6,-0.4 4,-2.6 1,-0.2 5,-0.2 0.912 81.3 47.7 -67.7 -44.4 -1.3 13.7 -5.7 323 121 B T H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.851 110.0 51.5 -71.7 -33.2 1.4 16.3 -4.9 324 122 B T H >>S+ 0 0 60 2,-0.2 4,-1.5 1,-0.2 5,-1.4 0.922 112.2 48.2 -67.4 -41.5 4.3 14.2 -6.2 325 123 B F H <>S+ 0 0 0 -4,-1.8 5,-2.6 3,-0.2 3,-0.3 0.955 115.9 43.9 -57.0 -50.1 2.2 13.7 -9.4 326 124 B L H <5S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.788 124.2 34.7 -67.8 -28.1 1.5 17.5 -9.6 327 125 B N H <5S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.472 136.9 10.3-105.0 -5.3 5.1 18.5 -8.7 328 126 B E T X5S+ 0 0 115 -4,-1.5 4,-1.3 -3,-0.3 -3,-0.2 0.584 123.0 42.0-140.2 -57.2 7.1 15.7 -10.5 329 127 B D H > S+ 0 0 46 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.810 111.0 53.3 -60.3 -32.2 5.8 18.5 -15.1 332 130 B K H X S+ 0 0 98 -4,-1.3 4,-1.4 -3,-0.4 -2,-0.2 0.935 113.9 41.4 -68.3 -43.7 8.3 15.9 -16.3 333 131 B W H X S+ 0 0 36 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.858 110.2 55.4 -77.1 -34.0 5.8 14.7 -19.0 334 132 B S H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.812 105.8 57.0 -60.9 -28.3 4.7 18.1 -20.0 335 133 B G H X S+ 0 0 11 -4,-1.1 4,-1.9 -5,-0.3 -2,-0.2 0.901 106.2 47.2 -66.7 -44.5 8.4 18.7 -20.5 336 134 B Y H X S+ 0 0 106 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.884 111.4 49.7 -64.3 -43.0 8.6 15.8 -23.0 337 135 B F H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.867 108.9 54.7 -68.7 -32.9 5.6 16.8 -24.9 338 136 B E H X S+ 0 0 21 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.946 109.2 44.5 -62.2 -51.7 7.0 20.3 -25.1 339 137 B K H X S+ 0 0 117 -4,-1.9 4,-3.5 1,-0.2 5,-0.3 0.935 111.3 54.2 -63.3 -46.8 10.4 19.3 -26.7 340 138 B L H X S+ 0 0 45 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.879 109.1 49.0 -51.1 -43.2 8.7 16.9 -29.1 341 139 B L H X S+ 0 0 3 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.878 111.5 48.3 -65.6 -40.6 6.5 19.9 -30.2 342 140 B K H < S+ 0 0 134 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.936 107.8 56.5 -60.8 -47.5 9.6 22.1 -30.6 343 141 B K H < S+ 0 0 162 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.771 116.8 37.8 -53.0 -27.6 11.3 19.2 -32.6 344 142 B N H < S+ 0 0 45 -4,-0.9 2,-0.3 -5,-0.3 -2,-0.2 0.884 89.7 89.0 -99.7 -41.0 8.3 19.4 -34.9 345 143 B H < + 0 0 91 -4,-3.0 2,-0.5 -5,-0.1 9,-0.1 -0.431 47.8 179.1 -74.9 122.8 7.2 22.9 -35.5 346 144 B T 0 0 95 -2,-0.3 -3,-0.0 1,-0.0 -1,-0.0 -0.983 360.0 360.0-122.6 114.9 8.9 24.6 -38.4 347 145 B N 0 0 151 -2,-0.5 -2,-0.1 0, 0.0 -1,-0.0 -0.324 360.0 360.0 97.6 360.0 7.9 28.2 -39.4 348 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 349 151 B Y 0 0 160 0, 0.0 2,-0.4 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 -81.6 0.5 23.1 -33.9 350 152 B Y - 0 0 49 3,-0.2 3,-0.1 -9,-0.2 6,-0.1 -0.905 360.0-157.8-124.9 145.4 1.3 19.5 -34.7 351 153 B F S S+ 0 0 9 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.901 88.9 31.2 -73.2 -46.4 3.2 16.6 -33.1 352 154 B V S > S- 0 0 5 3,-0.4 3,-1.0 5,-0.0 -1,-0.2 -0.974 115.0 -50.4-126.4 125.0 3.8 14.6 -36.3 353 155 B G T 3 S- 0 0 27 -2,-0.4 -3,-0.2 1,-0.2 4,-0.1 -0.273 97.6 -40.5 57.8-125.1 4.3 16.0 -39.8 354 156 B N T 3 S+ 0 0 136 2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 0.232 111.3 48.8-128.5 2.0 1.9 18.5 -41.2 355 157 B N S < S- 0 0 79 -3,-1.0 -3,-0.4 -68,-0.0 2,-0.3 -0.842 89.6 -67.9-145.3 171.5 -1.6 17.3 -40.1 356 158 B L + 0 0 5 -2,-0.3 -67,-0.3 -6,-0.1 2,-0.3 -0.541 49.7 175.2 -65.8 130.1 -3.8 16.1 -37.3 357 159 B T >> - 0 0 4 -2,-0.3 3,-1.3 -69,-0.1 4,-0.9 -0.882 46.9-104.5-123.9 166.9 -2.8 12.7 -36.1 358 160 B Y H 3> S+ 0 0 7 -71,-2.3 4,-2.9 -2,-0.3 5,-0.2 0.698 117.5 70.4 -62.3 -21.7 -4.3 10.8 -33.2 359 161 B A H 3> S+ 0 0 0 -72,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.898 96.1 53.8 -59.4 -38.0 -1.2 11.7 -31.2 360 162 B D H <> S+ 0 0 0 -3,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.889 114.2 40.0 -62.8 -40.4 -2.6 15.2 -31.1 361 163 B L H X S+ 0 0 0 -4,-0.9 4,-3.5 2,-0.2 -2,-0.2 0.831 111.9 55.3 -78.2 -38.2 -6.0 14.0 -29.7 362 164 B A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.953 112.5 44.1 -55.2 -53.4 -4.5 11.5 -27.3 363 165 B V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.873 115.5 48.3 -58.9 -43.9 -2.4 14.3 -25.8 364 166 B F H X S+ 0 0 9 -4,-1.6 4,-2.9 -5,-0.2 -2,-0.2 0.922 111.4 49.3 -61.0 -48.4 -5.4 16.6 -25.8 365 167 B N H X S+ 0 0 7 -4,-3.5 4,-3.0 2,-0.2 -2,-0.2 0.952 110.2 53.5 -55.9 -49.1 -7.6 14.0 -24.2 366 168 B L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.943 113.7 38.7 -51.7 -59.1 -4.9 13.4 -21.6 367 169 B Y H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.893 114.5 54.4 -68.4 -35.9 -4.6 17.0 -20.5 368 170 B D H X S+ 0 0 29 -4,-2.9 4,-0.7 -5,-0.2 -1,-0.2 0.914 109.8 49.1 -54.4 -45.3 -8.3 17.6 -20.8 369 171 B D H >X S+ 0 0 16 -4,-3.0 3,-0.9 1,-0.2 4,-0.7 0.901 110.5 49.9 -60.3 -44.4 -8.8 14.6 -18.4 370 172 B I H >X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.3 3,-0.7 0.831 103.3 60.4 -70.0 -32.6 -6.2 15.9 -16.0 371 173 B E H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.669 94.6 63.4 -72.2 -16.3 -7.9 19.3 -15.9 372 174 B T H << S+ 0 0 87 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.811 119.5 24.0 -72.7 -29.8 -11.2 17.8 -14.6 373 175 B K H << S+ 0 0 95 -4,-0.7 -2,-0.2 -3,-0.7 -3,-0.1 0.814 123.1 41.2-101.2 -35.9 -9.3 16.7 -11.4 374 176 B Y < - 0 0 5 -4,-3.2 -1,-0.2 1,-0.1 0, 0.0 -0.921 68.7-124.6-129.1 140.8 -6.4 19.0 -11.0 375 177 B P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.887 52.3-172.8 -27.4 -70.4 -5.3 22.7 -11.4 376 178 B S - 0 0 21 -3,-0.1 2,-0.2 2,-0.0 -50,-0.0 0.874 22.5-121.2 65.7 113.5 -2.5 21.7 -13.8 377 179 B S + 0 0 56 -51,-0.2 -43,-0.0 1,-0.1 -1,-0.0 -0.491 42.5 151.9 -68.7 144.1 0.2 24.1 -15.1 378 180 B L > + 0 0 13 -2,-0.2 3,-1.0 -44,-0.0 7,-0.5 0.208 58.6 85.3-146.3 -8.6 0.4 24.5 -18.9 379 181 B K T 3 S+ 0 0 134 1,-0.3 -2,-0.1 5,-0.1 6,-0.0 0.761 86.0 56.0 -69.1 -29.2 1.8 28.0 -18.8 380 182 B N T 3 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.553 108.7 53.7 -76.0 -6.3 5.4 26.7 -18.4 381 183 B F <> + 0 0 24 -3,-1.0 4,-2.6 1,-0.1 -1,-0.3 -0.681 66.2 165.6-127.5 73.3 4.6 24.7 -21.6 382 184 B P H > S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.869 78.0 49.6 -62.2 -39.5 3.5 27.4 -24.1 383 185 B L H > S+ 0 0 46 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.822 113.9 46.6 -69.0 -33.3 3.8 25.1 -27.1 384 186 B L H > S+ 0 0 0 -6,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 111.3 53.3 -70.4 -38.6 1.8 22.4 -25.3 385 187 B K H X S+ 0 0 71 -4,-2.6 4,-2.1 -7,-0.5 3,-0.3 0.976 111.0 43.4 -61.0 -58.5 -0.8 25.1 -24.2 386 188 B A H X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.774 110.8 59.3 -58.6 -29.2 -1.4 26.4 -27.8 387 189 B H H X S+ 0 0 0 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.2 0.927 108.8 41.0 -64.4 -49.1 -1.5 22.7 -29.0 388 190 B N H X S+ 0 0 12 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.907 115.4 49.9 -70.8 -40.2 -4.4 21.7 -26.8 389 191 B E H X S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.882 107.3 55.7 -64.0 -41.3 -6.4 24.9 -27.3 390 192 B F H X S+ 0 0 54 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.952 111.5 44.0 -49.0 -53.7 -6.0 24.6 -31.1 391 193 B I H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 7,-0.2 0.836 110.3 55.4 -66.1 -33.1 -7.5 21.1 -30.8 392 194 B S H < S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.882 107.3 50.4 -68.3 -34.9 -10.3 22.3 -28.5 393 195 B N H < S+ 0 0 90 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.733 76.2 116.6 -75.6 -25.7 -11.3 25.0 -30.9 394 196 B L S >X S- 0 0 35 -4,-1.2 4,-3.0 1,-0.1 3,-1.4 -0.274 75.1-125.5 -49.0 123.9 -11.6 22.6 -34.0 395 197 B P H 3> S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.774 106.1 50.6 -52.9 -40.9 -15.4 22.9 -34.7 396 198 B N H 3> S+ 0 0 80 2,-0.2 4,-1.6 -169,-0.2 -2,-0.1 0.847 119.8 38.0 -62.6 -35.5 -16.1 19.2 -34.6 397 199 B I H <> S+ 0 0 1 -3,-1.4 4,-3.8 2,-0.2 5,-0.3 0.946 113.7 51.9 -83.3 -55.0 -14.4 18.9 -31.2 398 200 B K H X S+ 0 0 107 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.898 113.3 49.9 -42.6 -46.8 -15.5 22.2 -29.7 399 201 B N H X S+ 0 0 97 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.970 113.3 43.1 -57.6 -57.4 -19.0 21.1 -30.6 400 202 B Y H >X S+ 0 0 38 -4,-1.6 3,-0.7 1,-0.2 4,-0.6 0.919 114.9 50.0 -54.6 -50.6 -18.6 17.7 -29.0 401 203 B I H >< S+ 0 0 45 -4,-3.8 3,-1.0 1,-0.3 -1,-0.2 0.898 108.7 51.4 -59.1 -45.6 -16.9 19.1 -26.0 402 204 B T H 3< S+ 0 0 100 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.709 109.6 54.2 -63.1 -19.9 -19.6 21.7 -25.5 403 205 B N H << 0 0 134 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.485 360.0 360.0 -96.1 -2.9 -22.2 18.8 -25.7 404 206 B R << 0 0 108 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.608 360.0 360.0 -63.1 360.0 -20.7 16.6 -22.9