==== 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 10-JUL-07 2QK8 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; . AUTHOR B.C.BENNETT,H.XU,R.F.SIMMERMAN,R.E.LEE,C.G.DEALWIS . 163 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 10.4 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 19 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 14.7 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+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 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 0 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 PARALLEL BRIDGES PER LADDER . 0 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 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 1 A M 0 0 91 0, 0.0 2,-0.6 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 143.3 -9.5 -22.9 4.5 2 2 A I E -a 92 0A 67 89,-2.3 91,-3.0 88,-0.2 2,-0.8 -0.698 360.0-159.0 -82.2 116.6 -8.5 -21.8 8.0 3 3 A V E -a 93 0A 3 -2,-0.6 107,-2.3 105,-0.4 108,-1.5 -0.873 18.3-176.1 -93.5 110.1 -10.5 -18.9 9.4 4 4 A S E -ab 94 111A 0 89,-3.0 91,-2.9 -2,-0.8 2,-0.3 -0.891 19.4-140.6-112.8 135.2 -8.4 -17.3 12.1 5 5 A F E -ab 95 112A 0 106,-2.1 108,-2.3 -2,-0.4 2,-0.4 -0.701 13.3-161.9 -85.5 147.1 -9.4 -14.4 14.4 6 6 A M E + b 0 113A 1 89,-1.9 2,-0.3 -2,-0.3 108,-0.2 -0.981 25.1 154.2-137.3 116.4 -6.7 -11.8 15.1 7 7 A V E - b 0 114A 1 106,-2.8 108,-1.9 -2,-0.4 2,-0.4 -1.000 32.9-163.1-151.4 137.7 -7.4 -9.6 18.2 8 8 A A E + b 0 115A 6 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -0.990 31.5 161.6-120.6 143.6 -5.8 -7.5 20.9 9 9 A M E - b 0 116A 8 106,-1.9 108,-2.1 -2,-0.4 6,-0.2 -0.994 36.6 -96.5-157.2 152.0 -7.9 -6.6 24.0 10 10 A D - 0 0 1 4,-2.2 3,-0.5 -2,-0.3 110,-0.2 0.323 47.9-101.9 -37.4 178.7 -8.2 -5.3 27.7 11 11 A E S S+ 0 0 104 108,-0.6 109,-0.1 1,-0.2 107,-0.1 0.686 130.8 51.7 -86.7 -18.6 -8.5 -7.6 30.6 12 12 A N S S- 0 0 101 107,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.008 125.5-104.7 -96.4 20.8 -12.2 -6.6 30.4 13 13 A R + 0 0 58 -3,-0.5 114,-2.4 1,-0.2 2,-0.2 0.479 66.6 153.3 66.4 10.4 -12.4 -7.5 26.6 14 14 A V E +I 126 0B 6 112,-0.2 -4,-2.2 1,-0.1 112,-0.3 -0.518 14.6 169.0 -69.1 131.8 -12.3 -3.9 25.3 15 15 A I E + 0 0 24 110,-2.1 2,-0.3 -2,-0.2 111,-0.2 0.278 61.0 21.7-120.6 8.5 -10.8 -3.7 21.8 16 16 A G E -I 125 0B 2 109,-0.9 109,-1.2 5,-0.2 108,-1.0 -0.987 47.8-161.0-179.5 160.9 -11.7 -0.0 20.9 17 17 A K S S- 0 0 90 3,-1.9 107,-0.3 106,-0.3 4,-0.2 0.766 82.5 -17.5-122.9 -85.1 -12.6 3.4 22.1 18 18 A D S S- 0 0 97 2,-0.8 3,-0.1 105,-0.1 105,-0.0 0.818 121.3 -60.2 -92.7 -60.4 -14.3 6.1 20.0 19 19 A N S S+ 0 0 66 1,-0.2 31,-0.1 2,-0.1 -2,-0.1 0.164 127.7 79.1-145.5 -49.4 -13.4 4.2 16.8 20 20 A N S S- 0 0 83 -4,-0.1 -3,-1.9 1,-0.1 -2,-0.8 -0.204 95.9 -91.9 -58.2 153.1 -9.6 4.4 17.3 21 21 A L - 0 0 44 -5,-0.2 -5,-0.2 -4,-0.2 -1,-0.1 -0.308 28.1-116.6 -80.9 158.6 -8.1 1.8 19.7 22 22 A P S S+ 0 0 18 0, 0.0 100,-0.1 0, 0.0 -1,-0.1 0.749 91.1 19.6 -64.3 -28.6 -7.6 2.4 23.4 23 23 A W - 0 0 27 98,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.323 68.6-131.2-113.6-129.9 -3.8 2.1 23.6 24 24 A R + 0 0 173 0, 0.0 125,-0.1 0, 0.0 0, 0.0 -0.037 27.0 170.8 159.3 88.5 -0.8 2.3 21.0 25 25 A L >> - 0 0 6 1,-0.2 3,-2.1 124,-0.1 4,-1.4 -0.638 15.1-172.2-125.7 73.8 1.7 -0.5 21.2 26 26 A P H 3> S+ 0 0 44 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.731 88.4 52.8 -19.3 -56.0 4.3 -0.6 18.4 27 27 A S H 3> S+ 0 0 28 121,-0.3 4,-1.9 2,-0.2 3,-0.3 0.857 107.0 53.0 -65.2 -32.3 5.7 -4.0 19.4 28 28 A E H <> S+ 0 0 1 -3,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.971 105.4 53.2 -62.8 -53.1 2.2 -5.5 19.4 29 29 A L H X S+ 0 0 40 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.618 105.3 59.7 -52.3 -22.1 1.7 -4.3 15.8 30 30 A Q H X S+ 0 0 113 -4,-0.8 4,-2.3 -5,-0.3 -2,-0.2 0.977 102.7 46.1 -69.2 -68.3 5.0 -6.1 15.2 31 31 A Y H X S+ 0 0 23 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.832 115.0 52.7 -38.4 -36.4 3.7 -9.6 16.2 32 32 A V H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.998 108.9 45.1 -73.8 -61.1 0.7 -8.7 14.1 33 33 A K H X S+ 0 0 79 -4,-2.1 4,-2.7 2,-0.2 3,-0.3 0.904 115.9 50.9 -37.8 -61.2 2.6 -7.8 10.9 34 34 A K H < S+ 0 0 154 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.915 115.5 36.6 -40.2 -73.2 4.8 -10.9 11.4 35 35 A T H < S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.706 123.0 45.5 -60.4 -27.5 2.0 -13.6 11.9 36 36 A T H >< S+ 0 0 0 -4,-2.4 3,-0.6 -5,-0.3 -1,-0.2 0.833 79.7 122.7 -87.0 -35.0 -0.3 -12.0 9.3 37 37 A M T 3< S+ 0 0 89 -4,-2.7 21,-0.1 -5,-0.3 20,-0.1 0.104 79.5 16.3 -42.3 131.3 2.2 -11.2 6.4 38 38 A G T 3 S+ 0 0 42 19,-1.0 -1,-0.2 1,-0.3 20,-0.2 0.709 109.1 99.6 79.4 23.8 1.3 -12.8 3.1 39 39 A H S < S- 0 0 40 -3,-0.6 -1,-0.3 52,-0.1 2,-0.2 -0.959 78.6 -96.7-139.9 151.7 -2.3 -13.5 4.2 40 40 A P - 0 0 0 0, 0.0 54,-2.1 0, 0.0 2,-0.5 -0.512 27.8-150.8 -72.5 133.3 -5.6 -11.7 3.7 41 41 A L E -cd 60 94A 0 18,-2.4 20,-2.5 -2,-0.2 2,-0.6 -0.952 7.2-161.2-100.1 124.0 -6.9 -9.3 6.4 42 42 A I E +cd 61 95A 0 52,-2.7 54,-2.7 -2,-0.5 55,-1.1 -0.941 25.6 157.5-105.5 115.3 -10.8 -9.2 6.5 43 43 A M E -cd 62 97A 0 18,-2.7 20,-2.4 -2,-0.6 55,-0.2 -0.896 37.0-113.1-135.1 162.8 -11.9 -6.0 8.3 44 44 A G E > -c 63 0A 7 53,-1.7 4,-1.9 -2,-0.3 20,-0.1 -0.347 39.1 -98.5 -89.8 177.1 -15.0 -3.7 8.6 45 45 A R H > S+ 0 0 78 18,-0.6 4,-1.7 2,-0.2 3,-0.5 0.966 122.1 47.7 -58.8 -53.2 -15.2 -0.2 7.4 46 46 A K H > S+ 0 0 110 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.849 108.9 53.6 -65.7 -38.2 -14.7 1.4 10.8 47 47 A N H > S+ 0 0 22 50,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.882 108.3 51.5 -56.2 -42.7 -11.7 -0.8 11.5 48 48 A Y H X S+ 0 0 30 -4,-1.9 4,-3.4 -3,-0.5 5,-0.4 0.848 106.0 53.1 -66.2 -35.2 -10.1 0.3 8.2 49 49 A E H < S+ 0 0 73 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.805 107.8 52.3 -69.8 -27.9 -10.6 4.1 9.0 50 50 A A H < S+ 0 0 23 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.979 114.7 40.9 -67.0 -55.8 -8.8 3.5 12.3 51 51 A I H < S- 0 0 13 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.890 95.0-160.7 -54.4 -48.7 -5.9 1.9 10.5 52 52 A G < + 0 0 47 -4,-3.4 -3,-0.1 -5,-0.1 -1,-0.1 0.532 58.2 41.1 79.3 9.8 -6.2 4.6 7.8 53 53 A R S S- 0 0 109 -5,-0.4 2,-0.1 20,-0.0 20,-0.1 -0.914 92.0 -81.4-172.1 157.8 -4.3 2.7 5.0 54 54 A P - 0 0 43 0, 0.0 20,-0.1 0, 0.0 5,-0.1 -0.390 46.1-119.5 -60.5 136.2 -3.8 -0.7 3.4 55 55 A L > - 0 0 3 -2,-0.1 3,-1.2 3,-0.1 -14,-0.1 -0.723 32.6-118.3 -85.0 117.9 -1.4 -3.0 5.2 56 56 A P T 3 S+ 0 0 65 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.109 90.7 21.7 -57.4 138.6 1.5 -3.9 2.9 57 57 A G T 3 S+ 0 0 52 1,-0.2 -19,-1.0 -20,-0.1 2,-0.3 0.366 108.7 81.6 95.3 -3.2 2.1 -7.6 1.9 58 58 A R S < S- 0 0 19 -3,-1.2 2,-0.8 -20,-0.2 -1,-0.2 -0.977 84.5-110.3-140.7 136.9 -1.5 -8.7 2.6 59 59 A R - 0 0 78 -2,-0.3 -18,-2.4 -3,-0.1 2,-0.5 -0.672 35.1-150.7 -72.6 109.6 -4.7 -8.6 0.7 60 60 A N E -c 41 0A 3 -2,-0.8 15,-2.7 13,-0.5 2,-0.4 -0.784 17.4-177.2 -81.2 130.7 -6.8 -6.1 2.6 61 61 A I E -ce 42 75A 0 -20,-2.5 -18,-2.7 -2,-0.5 2,-0.4 -0.999 9.7-156.7-138.6 123.4 -10.5 -7.0 2.2 62 62 A I E -ce 43 76A 0 13,-2.4 15,-2.6 -2,-0.4 2,-0.6 -0.831 9.8-139.4-107.5 143.7 -13.1 -4.7 3.8 63 63 A V E +ce 44 77A 14 -20,-2.4 -18,-0.6 -2,-0.4 2,-0.3 -0.930 36.6 143.0-115.6 112.0 -16.6 -6.0 4.6 64 64 A T - 0 0 19 13,-2.3 5,-0.1 -2,-0.6 -2,-0.0 -0.979 48.2-142.8-137.3 146.2 -19.7 -3.8 3.9 65 65 A R S S+ 0 0 243 -2,-0.3 2,-0.6 2,-0.0 13,-0.1 0.630 75.6 111.5 -70.1 -17.5 -23.2 -4.6 2.8 66 66 A N > - 0 0 75 1,-0.1 3,-1.6 2,-0.1 -2,-0.1 -0.466 59.5-156.3 -69.8 109.8 -22.9 -1.3 0.8 67 67 A E T 3 S+ 0 0 183 -2,-0.6 -1,-0.1 1,-0.3 11,-0.0 0.563 87.3 48.5 -67.7 -7.3 -22.7 -1.9 -2.9 68 68 A G T 3 S+ 0 0 53 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.138 76.0 120.6-125.1 19.5 -20.9 1.4 -3.7 69 69 A Y < + 0 0 27 -3,-1.6 2,-0.3 -5,-0.1 -5,-0.1 -0.758 32.9 165.8 -86.6 124.4 -18.0 1.5 -1.2 70 70 A H + 0 0 152 -2,-0.5 2,-0.3 5,-0.0 5,-0.1 -1.000 13.5 173.3-138.5 136.3 -14.5 1.7 -2.7 71 71 A V > - 0 0 32 3,-0.4 3,-1.1 -2,-0.3 2,-0.2 -0.986 38.9-106.4-135.9 149.6 -11.0 2.5 -1.3 72 72 A E T 3 S+ 0 0 174 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.496 100.9 20.9 -76.5 142.5 -7.8 2.1 -3.3 73 73 A G T 3 S+ 0 0 50 1,-0.2 -13,-0.5 -2,-0.2 2,-0.3 0.393 110.2 90.1 88.2 -3.5 -5.5 -0.8 -2.4 74 74 A C < - 0 0 16 -3,-1.1 -3,-0.4 -15,-0.1 2,-0.3 -0.934 67.3-137.6-127.8 146.9 -8.3 -2.7 -0.8 75 75 A E E -e 61 0A 66 -15,-2.7 -13,-2.4 -2,-0.3 2,-0.4 -0.684 20.9-141.5 -94.4 155.3 -10.8 -5.2 -2.0 76 76 A V E -e 62 0A 19 -2,-0.3 2,-0.4 -15,-0.2 -13,-0.2 -0.937 13.3-170.3-117.8 142.7 -14.5 -4.9 -0.8 77 77 A A E -e 63 0A 0 -15,-2.6 -13,-2.3 -2,-0.4 3,-0.1 -0.968 10.9-166.4-130.6 143.9 -16.7 -7.8 0.0 78 78 A H S S+ 0 0 52 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.1 0.200 73.6 30.5-120.2 13.8 -20.3 -7.3 0.6 79 79 A S S > S- 0 0 50 1,-0.1 4,-1.7 0, 0.0 -1,-0.2 -0.978 74.0-118.5-163.2 150.8 -20.8 -10.7 2.1 80 80 A V H > S+ 0 0 18 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.868 119.2 57.2 -54.1 -34.2 -19.3 -13.5 4.1 81 81 A E H > S+ 0 0 117 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.930 105.6 48.1 -67.8 -42.2 -19.9 -15.6 1.0 82 82 A E H > S+ 0 0 50 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.809 103.8 61.0 -61.8 -41.0 -17.8 -13.1 -1.1 83 83 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.863 108.6 43.9 -51.4 -46.4 -14.9 -13.2 1.4 84 84 A F H < S+ 0 0 56 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.686 111.7 54.3 -73.8 -25.5 -14.6 -16.9 0.8 85 85 A E H >< S+ 0 0 112 -4,-1.0 3,-1.1 2,-0.2 -2,-0.2 0.949 111.3 43.5 -71.9 -53.9 -15.0 -16.4 -3.0 86 86 A L H 3< S+ 0 0 52 -4,-3.5 3,-0.3 1,-0.2 -2,-0.2 0.802 121.8 42.1 -54.5 -32.2 -12.1 -13.8 -3.0 87 87 A C T >< S+ 0 0 0 -4,-1.2 3,-2.5 -5,-0.2 -1,-0.2 0.248 73.7 126.1-109.1 15.2 -10.1 -16.2 -0.7 88 88 A K T < S+ 0 0 142 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.781 81.6 38.5 -21.6 -57.0 -11.0 -19.4 -2.5 89 89 A N T 3 S+ 0 0 142 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.170 93.1 125.9 -90.5 11.1 -7.2 -20.4 -2.9 90 90 A E < - 0 0 29 -3,-2.5 -88,-0.2 -6,-0.2 3,-0.1 -0.696 50.5-157.4 -93.2 121.2 -6.2 -19.1 0.5 91 91 A E S S+ 0 0 125 -2,-0.6 -89,-2.3 1,-0.2 2,-0.3 0.952 80.5 2.4 -34.3 -70.5 -4.4 -21.1 3.2 92 92 A E E -a 2 0A 35 -91,-0.2 2,-0.4 -89,-0.0 -89,-0.2 -0.956 63.2-151.1-138.7 145.4 -5.5 -19.0 6.2 93 93 A I E -a 3 0A 0 -91,-3.0 -89,-3.0 -2,-0.3 2,-0.5 -0.931 9.9-148.5-117.3 139.1 -7.7 -15.9 6.6 94 94 A F E -ad 4 41A 1 -54,-2.1 -52,-2.7 -2,-0.4 2,-0.9 -0.966 5.5-149.0-112.4 115.7 -7.3 -13.3 9.4 95 95 A I E -ad 5 42A 0 -91,-2.9 -89,-1.9 -2,-0.5 -52,-0.2 -0.737 15.2-171.7 -76.5 107.1 -10.4 -11.6 10.7 96 96 A F E - 0 0 2 -54,-2.7 2,-0.2 -2,-0.9 -53,-0.2 0.853 36.3-139.1 -82.6 -29.9 -8.8 -8.3 11.6 97 97 A G E - d 0 43A 0 -55,-1.1 -53,-1.7 -3,-0.1 -1,-0.2 -0.684 53.8-174.7 119.9-155.6 -11.9 -7.1 13.4 98 98 A G > - 0 0 30 -2,-0.2 4,-1.8 -55,-0.2 3,-0.4 0.071 61.2-105.3 93.3 127.5 -14.4 -4.6 14.3 99 99 A A H > S+ 0 0 8 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.893 123.3 53.4 -51.9 -45.0 -16.5 -6.5 16.9 100 100 A Q H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.806 103.7 55.2 -65.2 -33.0 -19.3 -6.9 14.3 101 101 A I H > S+ 0 0 15 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.907 106.8 51.0 -63.5 -44.4 -16.9 -8.5 11.9 102 102 A Y H < S+ 0 0 5 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.850 108.2 53.3 -57.4 -41.4 -15.9 -11.1 14.5 103 103 A D H >< S+ 0 0 66 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.902 105.1 54.6 -59.4 -48.5 -19.6 -11.8 15.0 104 104 A L H 3< S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.3 39.3 -46.5 -45.4 -20.0 -12.4 11.3 105 105 A F T >X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 3,-1.4 0.293 83.9 104.2-100.4 11.1 -17.3 -15.1 11.2 106 106 A L T <4 S+ 0 0 58 -3,-0.9 3,-0.3 -4,-0.3 -1,-0.2 0.888 77.0 54.6 -59.4 -45.5 -18.1 -16.7 14.5 107 107 A P T 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.601 114.8 42.2 -65.9 -8.0 -19.7 -19.8 12.8 108 108 A Y T <4 S+ 0 0 102 -3,-1.4 -105,-0.4 -106,-0.0 -2,-0.2 0.700 79.6 120.6-113.3 -22.0 -16.5 -20.4 10.8 109 109 A V < + 0 0 7 -4,-1.5 -105,-0.2 -3,-0.3 3,-0.1 -0.103 20.2 165.0 -49.4 134.0 -13.5 -19.9 13.1 110 110 A D + 0 0 53 -107,-2.3 50,-1.3 1,-0.3 2,-0.3 0.418 67.5 37.4-123.0 -6.3 -11.1 -22.7 13.6 111 111 A K E -bF 4 159A 47 -108,-1.5 -106,-2.1 48,-0.2 2,-0.4 -0.997 64.4-153.4-148.3 141.2 -8.1 -20.7 15.1 112 112 A L E -bF 5 158A 12 46,-1.6 46,-1.3 -2,-0.3 2,-0.8 -0.951 6.8-167.9-122.9 126.6 -7.8 -17.7 17.6 113 113 A Y E +b 6 0A 21 -108,-2.3 -106,-2.8 -2,-0.4 2,-0.4 -0.747 23.4 173.4-111.8 91.0 -5.0 -15.1 17.9 114 114 A I E -b 7 0A 6 -2,-0.8 42,-2.8 42,-0.2 2,-0.5 -0.797 20.9-166.4-103.6 133.5 -5.6 -13.3 21.2 115 115 A T E -bG 8 155A 1 -108,-1.9 -106,-1.9 -2,-0.4 2,-0.7 -0.976 12.4-158.5-107.5 127.4 -3.3 -10.7 22.9 116 116 A K E -bG 9 154A 66 38,-1.3 38,-0.9 -2,-0.5 2,-0.5 -0.870 3.6-164.9-113.3 98.2 -4.4 -10.0 26.4 117 117 A I - 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