==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-09 3FQO . COMPND 2 MOLECULE: TRIMETHOPRIM-SENSITIVE DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS RF122; . AUTHOR A.C.ANDERSON,K.M.FREY,J.LIU,M.N.LOMBARDO . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 14.6 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 . 2 1.3 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 . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.7 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 0 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 1 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 T 0 0 97 0, 0.0 88,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 137.1 -21.7 -10.6 24.1 2 2 A L E +a 89 0A 18 86,-0.2 104,-2.5 102,-0.1 105,-1.1 -0.978 360.0 169.5-114.8 116.5 -20.7 -12.6 27.2 3 3 A S E -ab 90 107A 0 86,-2.8 88,-3.5 -2,-0.5 2,-0.4 -0.890 34.1-127.1-125.7 152.9 -21.0 -10.5 30.3 4 4 A I E -ab 91 108A 0 103,-2.1 105,-3.3 -2,-0.3 2,-0.4 -0.790 20.6-166.8 -88.1 141.1 -20.9 -10.8 34.1 5 5 A L E + b 0 109A 3 86,-2.6 2,-0.3 -2,-0.4 105,-0.2 -0.970 26.7 145.4-129.4 117.5 -23.8 -9.4 36.0 6 6 A V E - b 0 110A 8 103,-2.4 105,-2.6 -2,-0.4 2,-0.5 -0.996 40.9-149.9-153.6 146.1 -23.2 -9.1 39.8 7 7 A A E + b 0 111A 16 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.998 32.0 166.1-114.4 125.9 -23.9 -7.1 42.9 8 8 A H E - b 0 112A 8 103,-2.4 105,-3.0 -2,-0.5 6,-0.2 -0.979 27.3-127.1-137.7 154.8 -21.1 -7.3 45.5 9 9 A D > - 0 0 0 4,-1.8 3,-1.9 -2,-0.3 105,-0.2 -0.070 48.9 -73.8 -89.0-167.6 -20.3 -5.3 48.7 10 10 A L T 3 S+ 0 0 91 105,-2.2 106,-0.1 103,-0.5 104,-0.1 0.679 135.9 39.8 -65.1 -18.9 -17.0 -3.7 49.7 11 11 A Q T 3 S- 0 0 73 104,-0.3 -1,-0.3 2,-0.1 105,-0.1 0.154 123.6-101.9-114.8 16.9 -15.3 -7.0 50.5 12 12 A R < + 0 0 77 -3,-1.9 111,-2.9 1,-0.2 2,-0.2 0.614 64.2 161.1 70.3 19.2 -16.9 -8.7 47.4 13 13 A V E +H 122 0B 1 109,-0.2 -4,-1.8 1,-0.1 109,-0.3 -0.492 11.2 169.7 -62.1 133.7 -19.7 -10.6 49.4 14 14 A I E + 0 0 18 107,-3.1 2,-0.3 1,-0.3 108,-0.2 0.534 58.6 12.3-118.2 -19.2 -22.5 -11.7 47.0 15 15 A G E -H 121 0B 8 106,-1.4 105,-2.2 5,-0.2 106,-1.5 -0.988 44.8-162.4-155.8 159.9 -24.5 -13.9 49.3 16 16 A F B > S-I 19 0C 62 3,-2.5 3,-1.7 -2,-0.3 103,-0.1 -0.896 81.9 -17.0-148.2 123.9 -25.3 -15.2 52.8 17 17 A E T 3 S- 0 0 132 -2,-0.3 3,-0.1 1,-0.3 102,-0.0 0.913 125.7 -52.4 48.5 55.3 -27.2 -18.4 53.5 18 18 A N T 3 S+ 0 0 119 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.483 122.1 96.6 63.1 7.8 -28.7 -18.7 50.0 19 19 A Q B < S-I 16 0C 144 -3,-1.7 -3,-2.5 31,-0.0 -1,-0.2 -0.801 83.6-103.5-119.2 160.4 -30.0 -15.1 50.2 20 20 A L - 0 0 110 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.722 31.1-138.6 -74.2 134.2 -28.8 -11.7 49.0 21 21 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.675 79.7 50.1 -71.4 -16.4 -27.5 -9.9 52.2 22 22 A W S S- 0 0 11 95,-0.1 2,-0.6 2,-0.1 -2,-0.1 -0.782 73.1-131.4-122.9 160.6 -29.1 -6.6 51.2 23 23 A H + 0 0 165 -2,-0.3 123,-0.4 4,-0.0 124,-0.2 -0.955 39.2 155.0-110.6 108.8 -32.5 -5.2 50.1 24 24 A L >> + 0 0 12 -2,-0.6 4,-1.4 1,-0.1 3,-1.3 -0.683 19.7 179.0-141.3 84.8 -32.0 -3.0 47.1 25 25 A P H 3> S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.828 84.0 63.2 -52.6 -36.1 -35.0 -2.6 44.7 26 26 A N H 3> S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 119,-0.1 0.826 102.8 49.6 -59.5 -33.0 -33.0 -0.2 42.5 27 27 A D H <> S+ 0 0 15 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.859 106.5 53.4 -75.4 -37.7 -30.5 -3.1 41.7 28 28 A L H X S+ 0 0 110 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.886 109.4 50.6 -60.5 -38.6 -33.3 -5.5 40.8 29 29 A K H X S+ 0 0 141 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.891 108.2 52.3 -61.5 -43.8 -34.5 -2.8 38.4 30 30 A H H X S+ 0 0 37 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.928 111.7 46.0 -56.3 -49.8 -31.0 -2.6 37.0 31 31 A V H X S+ 0 0 9 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.909 112.3 51.3 -58.7 -46.8 -31.0 -6.4 36.5 32 32 A K H X S+ 0 0 127 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.891 113.3 44.6 -58.2 -44.8 -34.5 -6.3 34.9 33 33 A K H < S+ 0 0 180 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.903 116.4 45.5 -69.0 -44.6 -33.4 -3.6 32.4 34 34 A L H < S+ 0 0 37 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.887 123.9 30.0 -65.2 -40.7 -30.1 -5.2 31.5 35 35 A S H >< S+ 0 0 0 -4,-2.5 3,-2.1 -5,-0.2 2,-0.2 0.496 80.3 117.1-110.3 -6.6 -31.3 -8.8 31.0 36 36 A T T 3< S+ 0 0 54 -4,-1.5 21,-0.2 1,-0.3 20,-0.1 -0.473 90.9 15.8 -62.6 128.7 -35.0 -8.6 29.8 37 37 A G T 3 S+ 0 0 60 19,-2.6 -1,-0.3 1,-0.3 20,-0.2 0.495 121.1 79.0 84.3 4.8 -35.1 -10.2 26.3 38 38 A H S < S- 0 0 74 -3,-2.1 20,-2.6 18,-0.2 2,-0.4 -0.338 84.1 -79.6-123.6-155.9 -31.6 -11.7 26.8 39 39 A T E -cd 58 89A 10 49,-2.2 51,-3.1 18,-0.2 2,-0.5 -0.953 24.4-164.4-122.5 134.1 -30.1 -14.8 28.6 40 40 A L E -cd 59 90A 0 18,-2.7 20,-3.1 -2,-0.4 2,-0.5 -0.974 7.4-165.3-109.7 128.3 -29.1 -15.4 32.2 41 41 A V E +cd 60 91A 0 49,-2.7 51,-3.2 -2,-0.5 52,-0.6 -0.968 19.4 165.0-111.3 127.7 -26.8 -18.3 33.0 42 42 A M E -cd 61 93A 0 18,-2.6 20,-3.0 -2,-0.5 52,-0.3 -0.973 36.4-104.8-141.1 155.7 -26.6 -19.4 36.6 43 43 A G E > -c 62 0A 8 50,-2.2 4,-2.0 -2,-0.3 5,-0.2 -0.347 41.4-104.6 -72.5 161.2 -25.4 -22.3 38.8 44 44 A R H > S+ 0 0 119 18,-1.4 4,-2.2 1,-0.2 5,-0.2 0.863 118.4 53.5 -54.8 -41.3 -27.8 -24.7 40.3 45 45 A K H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 107.3 49.6 -66.5 -42.4 -27.5 -23.2 43.8 46 46 A T H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 112.1 49.3 -60.7 -45.9 -28.3 -19.7 42.7 47 47 A F H X S+ 0 0 3 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.906 110.0 49.9 -60.0 -44.4 -31.4 -20.8 40.8 48 48 A E H < S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 109.6 51.3 -65.3 -35.4 -32.7 -22.9 43.7 49 49 A S H < S+ 0 0 57 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.778 111.0 48.6 -73.0 -26.9 -32.3 -19.9 46.1 50 50 A I H < S- 0 0 57 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.932 96.9-153.3 -73.4 -49.6 -34.2 -17.7 43.6 51 51 A G < + 0 0 51 -4,-3.1 -3,-0.1 -5,-0.1 -1,-0.1 -0.153 61.1 29.2 109.9 -38.0 -37.0 -20.4 43.4 52 52 A K S S- 0 0 150 -5,-0.1 20,-0.1 18,-0.0 18,-0.0 -0.969 93.6 -79.9-149.5 158.7 -38.4 -19.8 39.9 53 53 A P - 0 0 35 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.257 49.0-109.4 -61.7 149.4 -37.2 -18.5 36.5 54 54 A L > - 0 0 35 1,-0.1 3,-0.6 18,-0.1 -14,-0.1 -0.701 44.3-104.7 -80.2 130.0 -37.0 -14.7 36.1 55 55 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.105 89.0 14.3 -58.5 148.0 -39.7 -13.5 33.7 56 56 A N T 3 S+ 0 0 129 -20,-0.1 -19,-2.6 1,-0.1 2,-0.3 0.713 108.2 72.2 67.0 32.1 -39.2 -12.3 30.1 57 57 A R S < S- 0 0 36 -3,-0.6 2,-0.4 -21,-0.2 -18,-0.2 -0.954 89.9 -85.6-160.9 161.6 -35.7 -13.7 29.4 58 58 A R E -c 39 0A 87 -20,-2.6 -18,-2.7 -2,-0.3 2,-0.6 -0.618 37.6-154.4 -74.6 128.0 -34.0 -17.1 28.8 59 59 A N E -c 40 0A 4 13,-0.4 15,-3.0 -2,-0.4 2,-0.5 -0.938 12.8-175.1-106.6 116.0 -33.1 -18.8 32.1 60 60 A V E -ce 41 74A 0 -20,-3.1 -18,-2.6 -2,-0.6 2,-0.5 -0.954 5.7-162.3-115.3 123.5 -30.2 -21.2 31.8 61 61 A V E -ce 42 75A 0 13,-2.7 15,-2.5 -2,-0.5 2,-0.5 -0.908 8.3-148.2-110.7 127.8 -29.1 -23.4 34.7 62 62 A L E +ce 43 76A 23 -20,-3.0 -18,-1.4 -2,-0.5 2,-0.3 -0.843 37.5 140.8 -93.2 123.2 -25.7 -25.1 34.9 63 63 A T - 0 0 15 13,-2.1 -2,-0.0 -2,-0.5 -20,-0.0 -0.983 55.2-136.9-156.0 155.3 -25.8 -28.4 36.8 64 64 A S S S+ 0 0 111 -2,-0.3 2,-0.7 3,-0.0 13,-0.1 0.534 74.4 112.7 -87.5 -9.6 -24.3 -32.0 36.7 65 65 A D > - 0 0 76 1,-0.2 3,-1.1 2,-0.1 -2,-0.1 -0.524 50.2-168.1 -71.2 107.2 -27.8 -33.3 37.6 66 66 A T T 3 S+ 0 0 128 -2,-0.7 -1,-0.2 1,-0.2 11,-0.0 0.598 87.9 57.3 -69.8 -12.9 -29.1 -35.2 34.6 67 67 A S T 3 S+ 0 0 97 2,-0.0 -1,-0.2 -3,-0.0 -2,-0.1 0.576 76.2 127.1 -90.3 -13.5 -32.6 -35.3 36.2 68 68 A F < + 0 0 24 -3,-1.1 2,-0.3 1,-0.0 7,-0.1 -0.233 27.6 155.5 -56.0 121.2 -32.8 -31.5 36.5 69 69 A N + 0 0 143 5,-0.1 2,-0.4 2,-0.0 5,-0.1 -0.910 9.9 162.7-151.7 121.2 -36.0 -30.2 34.9 70 70 A V > - 0 0 40 3,-0.4 3,-1.4 -2,-0.3 2,-0.3 -0.994 42.4-111.1-133.8 138.8 -37.9 -27.0 35.6 71 71 A E T 3 S+ 0 0 177 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.563 105.8 20.4 -68.2 127.0 -40.5 -25.5 33.3 72 72 A G T 3 S+ 0 0 58 -2,-0.3 -13,-0.4 1,-0.3 2,-0.4 0.600 106.8 100.8 88.5 14.3 -39.2 -22.2 31.8 73 73 A V < - 0 0 12 -3,-1.4 -3,-0.4 -15,-0.1 2,-0.4 -0.998 59.3-149.6-132.6 131.7 -35.6 -23.2 32.4 74 74 A D E -e 60 0A 70 -15,-3.0 -13,-2.7 -2,-0.4 2,-0.4 -0.818 19.9-141.4 -96.9 143.6 -33.1 -24.6 29.9 75 75 A V E -e 61 0A 45 -2,-0.4 2,-0.3 -15,-0.2 -13,-0.2 -0.856 18.1-178.1-110.9 139.5 -30.4 -26.9 31.3 76 76 A I E -e 62 0A 17 -15,-2.5 -13,-2.1 -2,-0.4 3,-0.1 -0.927 14.2-160.3-127.9 159.7 -26.7 -27.1 30.4 77 77 A H + 0 0 99 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.438 69.5 33.5-123.0 -4.6 -24.1 -29.5 31.8 78 78 A S S > S- 0 0 47 1,-0.1 3,-1.1 -14,-0.0 4,-0.4 -0.986 75.1-115.3-147.5 158.2 -20.7 -27.9 31.1 79 79 A I G > S+ 0 0 22 -2,-0.3 3,-2.3 1,-0.2 4,-0.5 0.876 111.6 67.2 -52.7 -41.9 -19.1 -24.5 30.8 80 80 A E G > S+ 0 0 123 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.763 88.8 64.8 -55.8 -30.9 -18.5 -25.2 27.1 81 81 A D G X S+ 0 0 61 -3,-1.1 3,-0.9 1,-0.2 -1,-0.3 0.723 88.4 70.3 -64.5 -24.0 -22.3 -25.1 26.4 82 82 A I G X S+ 0 0 3 -3,-2.3 3,-1.5 -4,-0.4 -1,-0.2 0.890 92.3 56.2 -60.1 -41.9 -22.3 -21.4 27.4 83 83 A Y G < S+ 0 0 94 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.568 100.9 58.5 -71.6 -12.0 -20.5 -20.3 24.3 84 84 A Q G < S+ 0 0 153 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.458 81.1 105.0 -94.9 -3.4 -23.1 -22.0 22.0 85 85 A L < - 0 0 24 -3,-1.5 2,-0.1 -4,-0.3 4,-0.1 -0.649 69.7-132.3 -78.2 129.7 -25.9 -19.8 23.5 86 86 A P + 0 0 89 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.451 60.4 16.2 -81.3 156.3 -27.0 -17.1 21.1 87 87 A G S S- 0 0 58 -2,-0.1 2,-0.7 2,-0.1 -49,-0.1 -0.347 111.1 -19.6 87.6-165.6 -27.5 -13.4 21.9 88 88 A H - 0 0 35 -51,-0.2 -49,-2.2 -2,-0.1 2,-0.5 -0.733 66.1-163.5 -82.8 115.7 -26.3 -11.4 24.9 89 89 A V E -ad 2 39A 4 -88,-2.7 -86,-2.8 -2,-0.7 2,-0.5 -0.880 4.4-161.1-105.8 126.7 -25.5 -13.8 27.8 90 90 A F E -ad 3 40A 2 -51,-3.1 -49,-2.7 -2,-0.5 2,-0.6 -0.942 16.2-138.5-107.0 120.5 -25.2 -12.6 31.4 91 91 A I E -ad 4 41A 0 -88,-3.5 -86,-2.6 -2,-0.5 -49,-0.2 -0.716 25.6-177.3 -74.0 118.0 -23.3 -14.8 33.9 92 92 A F E - 0 0 33 -51,-3.2 2,-0.2 -2,-0.6 -50,-0.2 0.466 32.6-178.5-108.0 -7.4 -25.7 -14.3 36.9 93 93 A G E - d 0 42A 1 -52,-0.6 -50,-2.2 1,-0.2 -1,-0.4 -0.683 54.7-137.8 129.0 177.0 -23.9 -16.3 39.6 94 94 A G > - 0 0 11 -52,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.439 56.6 -92.1-100.1-139.4 -23.0 -17.7 42.0 95 95 A Q H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 121.6 49.4 -52.6 -46.5 -19.4 -17.8 43.3 96 96 A T H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 113.0 46.5 -65.3 -42.5 -18.4 -21.0 41.5 97 97 A L H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 112.3 49.7 -67.1 -41.5 -19.7 -19.7 38.1 98 98 A Y H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.913 110.7 51.1 -59.8 -44.4 -18.0 -16.3 38.5 99 99 A E H < S+ 0 0 103 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.882 114.5 43.8 -59.8 -39.6 -14.8 -18.1 39.4 100 100 A E H < S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.760 124.5 34.2 -73.9 -27.0 -15.1 -20.2 36.3 101 101 A M H >X S+ 0 0 0 -4,-1.8 3,-2.4 -5,-0.1 4,-1.6 0.636 87.4 89.6-109.1 -17.3 -16.1 -17.3 34.0 102 102 A I T 3< S+ 0 0 14 -4,-2.8 -3,-0.1 1,-0.3 -1,-0.1 0.848 93.4 47.6 -55.0 -37.9 -14.3 -14.1 35.2 103 103 A D T 34 S+ 0 0 127 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.438 115.6 47.1 -80.8 0.5 -11.3 -14.8 32.9 104 104 A K T <4 S+ 0 0 101 -3,-2.4 -2,-0.2 -101,-0.0 -1,-0.2 0.657 86.2 99.8-114.2 -25.3 -13.6 -15.5 29.9 105 105 A V < - 0 0 0 -4,-1.6 -102,-0.2 1,-0.1 3,-0.1 -0.312 61.9-142.6 -73.4 149.9 -16.1 -12.7 29.9 106 106 A D S S- 0 0 85 -104,-2.5 50,-2.2 1,-0.2 2,-0.3 0.881 80.2 -9.6 -71.7 -42.5 -15.9 -9.6 27.6 107 107 A D E -bF 3 155A 12 -105,-1.1 -103,-2.1 48,-0.2 2,-0.4 -0.916 61.9-129.1-152.5 171.9 -17.3 -7.2 30.2 108 108 A M E -bF 4 154A 0 46,-2.9 46,-3.1 -2,-0.3 2,-0.8 -0.997 1.3-155.7-137.2 132.1 -18.8 -6.9 33.7 109 109 A Y E -bF 5 153A 39 -105,-3.3 -103,-2.4 -2,-0.4 2,-0.4 -0.913 30.4-178.2-102.5 102.5 -21.9 -5.1 35.0 110 110 A I E -bF 6 152A 0 42,-2.5 42,-3.8 -2,-0.8 2,-0.7 -0.873 24.2-159.8-108.7 131.5 -21.1 -4.7 38.7 111 111 A T E -bF 7 151A 0 -105,-2.6 -103,-2.4 -2,-0.4 2,-0.8 -0.957 18.1-152.9-102.0 111.5 -23.3 -3.1 41.3 112 112 A V E -bF 8 150A 18 38,-3.1 38,-1.9 -2,-0.7 2,-0.6 -0.793 2.2-152.4 -86.1 114.1 -20.9 -2.1 44.2 113 113 A I E - F 0 149A 0 -105,-3.0 2,-2.0 -2,-0.8 -103,-0.5 -0.801 11.7-142.0 -84.7 118.8 -22.8 -2.1 47.4 114 114 A E + 0 0 75 34,-2.9 2,-0.3 -2,-0.6 -105,-0.1 -0.335 68.8 82.4 -86.7 58.2 -21.0 0.4 49.6 115 115 A G S S- 0 0 16 -2,-2.0 -105,-2.2 32,-0.1 2,-0.6 -0.909 76.6-117.3-146.2 170.5 -21.4 -1.6 52.8 116 116 A K + 0 0 162 -2,-0.3 2,-0.2 -107,-0.2 -2,-0.1 -0.940 39.2 177.5-119.4 106.7 -19.7 -4.5 54.7 117 117 A F - 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