==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-APR-13 4KF9 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA SOLANACEARUM; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 318 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.0 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 0 1 0 0 1 3 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 0 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 V 0 0 124 0, 0.0 59,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 125.2 49.0 -37.4 -29.2 2 3 A M + 0 0 88 1,-0.1 59,-0.2 57,-0.1 57,-0.0 0.037 360.0 70.1-129.6 24.9 50.6 -34.0 -30.2 3 4 A T + 0 0 115 56,-0.1 2,-0.1 57,-0.1 -1,-0.1 0.202 66.7 117.5-126.9 10.6 47.8 -31.5 -29.4 4 5 A E S S- 0 0 54 1,-0.1 2,-0.7 -3,-0.1 56,-0.4 -0.435 72.2-112.7 -70.5 154.4 47.8 -31.6 -25.6 5 6 A L - 0 0 10 24,-0.4 26,-3.5 54,-0.1 2,-0.6 -0.833 34.7-167.6 -90.0 119.0 48.6 -28.5 -23.8 6 7 A I E -aB 31 58A 2 52,-2.6 52,-3.7 -2,-0.7 2,-0.5 -0.920 2.6-162.6-115.2 109.7 51.9 -29.1 -22.0 7 8 A L E -aB 32 57A 1 24,-2.5 26,-2.7 -2,-0.6 2,-0.6 -0.812 5.1-156.7 -96.1 125.4 52.9 -26.5 -19.4 8 9 A H E +aB 33 56A 4 48,-3.0 48,-1.7 -2,-0.5 2,-0.2 -0.909 45.0 116.0 -99.4 115.8 56.6 -26.4 -18.3 9 10 A H E -a 34 0A 13 24,-2.3 26,-2.1 -2,-0.6 2,-0.3 -0.876 53.1-119.3-159.2 179.9 56.7 -24.9 -14.9 10 11 A Y > - 0 0 25 -2,-0.2 3,-1.5 24,-0.2 6,-0.2 -0.987 28.0-115.2-142.7 158.6 57.5 -25.3 -11.2 11 12 A A T 3 S+ 0 0 73 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.854 108.7 47.5 -59.7 -45.5 55.3 -25.0 -8.1 12 13 A T T 3 S+ 0 0 66 4,-0.1 -1,-0.3 5,-0.0 185,-0.0 0.440 84.4 112.6 -81.3 1.5 56.8 -22.0 -6.3 13 14 A S <> - 0 0 5 -3,-1.5 4,-2.4 1,-0.2 5,-0.1 -0.655 53.1-159.0 -82.5 117.1 56.9 -19.8 -9.5 14 15 A P H > S+ 0 0 12 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.925 96.5 51.2 -55.5 -47.7 54.6 -16.8 -9.4 15 16 A F H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.871 110.2 50.2 -61.9 -34.3 54.6 -16.5 -13.2 16 17 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.894 106.5 55.0 -66.0 -40.7 53.7 -20.2 -13.3 17 18 A E H X S+ 0 0 18 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.898 103.7 56.4 -58.2 -40.3 50.9 -19.6 -10.8 18 19 A K H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.951 111.1 42.1 -55.1 -52.1 49.5 -17.0 -13.2 19 20 A A H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.889 113.6 52.1 -64.2 -40.4 49.4 -19.5 -16.1 20 21 A R H X S+ 0 0 16 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.894 110.0 49.0 -65.1 -37.8 47.9 -22.3 -13.9 21 22 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.908 109.6 51.6 -69.3 -41.0 45.2 -20.0 -12.6 22 23 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.902 106.3 54.9 -60.3 -41.5 44.3 -18.9 -16.1 23 24 A L H <>S+ 0 0 2 -4,-2.3 5,-2.5 2,-0.2 4,-0.5 0.884 109.0 48.9 -56.7 -38.9 44.1 -22.6 -17.0 24 25 A G H ><5S+ 0 0 9 -4,-1.6 3,-1.2 198,-0.6 -2,-0.2 0.945 109.6 50.4 -65.5 -48.8 41.6 -23.0 -14.2 25 26 A Y H 3<5S+ 0 0 13 -4,-2.6 -2,-0.2 197,-0.3 -1,-0.2 0.872 114.7 44.0 -55.9 -40.8 39.5 -20.0 -15.4 26 27 A K T 3<5S- 0 0 5 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.537 105.3-131.8 -80.6 -6.9 39.5 -21.5 -18.9 27 28 A D T < 5 + 0 0 105 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.937 50.0 162.4 50.8 50.6 38.7 -24.9 -17.5 28 29 A Q < - 0 0 20 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.883 35.6-137.7-108.4 111.3 41.4 -26.2 -19.8 29 30 A P + 0 0 67 0, 0.0 -24,-0.4 0, 0.0 2,-0.3 -0.379 33.3 175.2 -65.2 147.1 43.0 -29.6 -19.0 30 31 A W E - c 0 226A 13 195,-2.4 197,-1.4 -26,-0.1 2,-0.4 -0.950 33.7-109.9-149.8 165.3 46.8 -29.8 -19.4 31 32 A K E -ac 6 227A 44 -26,-3.5 -24,-2.5 -2,-0.3 2,-0.6 -0.874 32.2-138.3-101.1 136.3 49.9 -31.8 -19.0 32 33 A S E +ac 7 228A 23 195,-3.2 197,-2.5 -2,-0.4 2,-0.5 -0.839 21.4 178.1-104.0 117.1 52.3 -30.9 -16.2 33 34 A V E -a 8 0A 1 -26,-2.7 -24,-2.3 -2,-0.6 2,-0.3 -0.950 19.8-145.0-119.9 112.2 56.1 -30.9 -16.8 34 35 A T E -a 9 0A 95 -2,-0.5 -24,-0.2 195,-0.4 -26,-0.1 -0.588 16.7-166.3 -74.7 129.7 58.3 -29.8 -13.9 35 36 A V - 0 0 8 -26,-2.1 6,-0.1 -2,-0.3 19,-0.0 -0.794 31.3 -89.3-109.9 158.1 61.4 -27.8 -14.8 36 37 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.357 25.4-135.6 -63.2 148.0 64.4 -27.0 -12.6 37 38 A V S S+ 0 0 29 2,-0.1 2,-0.3 -2,-0.0 17,-0.1 0.814 86.1 26.4 -70.1 -33.5 64.3 -23.8 -10.6 38 39 A I S S- 0 0 30 2,-0.2 94,-0.1 1,-0.0 93,-0.0 -0.822 98.0 -44.1-128.6 166.1 67.9 -22.9 -11.6 39 40 A L S S+ 0 0 77 -2,-0.3 2,-0.1 93,-0.1 96,-0.1 -0.380 93.7 58.6 -66.0 149.5 70.4 -23.5 -14.3 40 41 A P + 0 0 105 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.558 53.3 169.6 -89.8 161.7 71.3 -25.8 -15.9 41 42 A K >> + 0 0 7 -2,-0.1 4,-2.1 1,-0.1 3,-1.8 -0.593 4.5 165.8-131.1 69.9 68.2 -27.1 -17.6 42 43 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.718 79.0 53.6 -63.4 -21.2 69.3 -29.7 -20.2 43 44 A D T 34 S+ 0 0 69 2,-0.1 4,-0.2 1,-0.1 -2,-0.0 0.595 113.1 45.2 -85.5 -10.0 65.8 -31.0 -20.7 44 45 A V T X> S+ 0 0 5 -3,-1.8 3,-1.8 2,-0.1 4,-1.8 0.869 98.0 66.9 -95.4 -47.1 64.5 -27.4 -21.4 45 46 A M H 3X S+ 0 0 51 -4,-2.1 4,-2.3 1,-0.3 5,-0.2 0.771 91.7 60.5 -50.0 -37.9 67.1 -26.0 -23.8 46 47 A P H 34 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 254,-0.1 0.849 113.8 39.9 -63.0 -26.1 66.3 -28.3 -26.8 47 48 A L H <4 S+ 0 0 0 -3,-1.8 -2,-0.2 -4,-0.2 16,-0.1 0.907 125.3 31.6 -82.1 -47.6 62.8 -26.9 -26.7 48 49 A T H >< S- 0 0 0 -4,-1.8 3,-0.7 3,-0.2 -3,-0.2 0.629 92.2-133.5 -92.4 -16.3 63.4 -23.2 -26.0 49 50 A G T 3< S- 0 0 22 -4,-2.3 231,-0.5 -5,-0.3 -4,-0.1 0.694 83.5 -28.5 69.7 20.5 66.8 -22.8 -27.8 50 51 A G T 3 S+ 0 0 19 1,-0.4 2,-0.3 -5,-0.2 -1,-0.2 0.081 98.6 127.5 129.2 -27.8 68.2 -20.9 -24.8 51 52 A Y < + 0 0 9 -3,-0.7 -1,-0.4 1,-0.1 -3,-0.2 -0.503 30.8 179.5 -62.4 122.3 65.3 -19.2 -23.1 52 53 A R + 0 0 12 -2,-0.3 -1,-0.1 223,-0.2 2,-0.1 0.267 37.0 112.0-114.2 9.9 65.5 -20.2 -19.5 53 54 A R - 0 0 23 222,-0.1 13,-0.1 2,-0.1 -2,-0.0 -0.457 65.7 -90.1 -85.2 164.2 62.6 -18.5 -17.9 54 55 A T S S+ 0 0 19 -2,-0.1 -39,-0.2 -17,-0.1 -38,-0.1 -0.955 83.7 29.8-129.7 137.9 59.5 -20.2 -16.5 55 56 A P + 0 0 2 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.533 57.2 165.2 -97.7 174.4 56.8 -21.0 -17.6 56 57 A F E -BD 8 65A 1 -48,-1.7 -48,-3.0 9,-0.2 2,-0.5 -0.984 27.5-132.8-138.8 154.0 56.4 -21.9 -21.2 57 58 A L E -BD 7 64A 2 7,-2.5 7,-3.4 -2,-0.3 2,-0.5 -0.890 16.4-161.6-106.5 127.2 53.7 -23.7 -23.0 58 59 A Q E +BD 6 63A 0 -52,-3.7 -52,-2.6 -2,-0.5 2,-0.4 -0.918 13.1 176.2-107.8 132.0 54.4 -26.5 -25.5 59 60 A I E > - D 0 62A 30 3,-2.7 3,-2.4 -2,-0.5 2,-0.5 -0.903 69.8 -59.3-128.1 105.2 51.9 -27.7 -28.1 60 61 A G T 3 S- 0 0 3 -2,-0.4 181,-0.1 -56,-0.4 -57,-0.1 -0.458 121.2 -17.0 59.8-113.0 53.5 -30.4 -30.2 61 62 A A T 3 S+ 0 0 1 -2,-0.5 243,-2.1 181,-0.3 2,-0.5 0.168 116.1 100.0-110.4 14.9 56.6 -28.7 -31.7 62 63 A D E < -De 59 304A 11 -3,-2.4 -3,-2.7 241,-0.2 2,-0.6 -0.913 55.6-163.9-101.8 126.1 55.4 -25.2 -31.0 63 64 A I E -De 58 305A 0 241,-2.8 243,-3.7 -2,-0.5 2,-0.7 -0.948 0.3-163.2-115.3 115.1 57.0 -23.6 -27.9 64 65 A Y E -De 57 306A 36 -7,-3.4 -7,-2.5 -2,-0.6 2,-0.2 -0.869 9.1-164.5-105.4 109.5 55.2 -20.5 -26.5 65 66 A C E +D 56 0A 0 241,-2.7 4,-0.3 -2,-0.7 -9,-0.2 -0.624 49.1 32.9 -94.0 151.3 57.4 -18.4 -24.1 66 67 A D S >> S- 0 0 31 -11,-0.9 4,-2.5 -2,-0.2 3,-0.8 0.641 75.2-111.8 79.4 130.4 56.2 -15.7 -21.7 67 68 A T H 3> S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.763 113.9 65.2 -64.3 -26.6 52.9 -15.6 -19.9 68 69 A A H 3> S+ 0 0 18 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.898 112.9 35.0 -60.8 -37.5 51.7 -12.6 -21.9 69 70 A L H <> S+ 0 0 10 -3,-0.8 4,-2.5 -4,-0.3 -2,-0.2 0.867 112.9 57.7 -83.7 -41.4 51.8 -14.9 -25.0 70 71 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.914 105.8 52.6 -53.5 -42.9 50.7 -18.1 -23.2 71 72 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.919 108.3 49.9 -60.4 -43.3 47.5 -16.3 -22.1 72 73 A Q H X S+ 0 0 62 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.887 110.9 49.7 -62.6 -40.1 46.8 -15.2 -25.8 73 74 A V H X S+ 0 0 17 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.942 110.9 48.3 -63.5 -48.1 47.3 -18.8 -26.9 74 75 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.877 110.5 52.8 -59.2 -38.8 44.9 -20.2 -24.3 75 76 A E H < S+ 0 0 29 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 104.7 55.9 -61.9 -40.2 42.4 -17.4 -25.3 76 77 A S H < S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.1 41.6 -57.7 -38.7 42.7 -18.6 -28.9 77 78 A I H < S+ 0 0 71 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.917 132.8 18.6 -79.4 -50.2 41.7 -22.1 -27.8 78 79 A H < + 0 0 66 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.786 67.8 173.3-120.6 86.5 38.9 -21.3 -25.3 79 80 A P + 0 0 71 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.682 50.5 98.6 -67.6 -16.9 37.9 -17.7 -26.1 80 81 A V S S+ 0 0 124 1,-0.2 2,-0.1 2,-0.1 3,-0.0 -0.986 77.9 32.6-124.0 127.6 35.0 -17.9 -23.6 81 82 A P S S- 0 0 33 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.484 103.9-141.1 -75.6 143.0 35.2 -16.9 -20.9 82 83 A T - 0 0 47 1,-0.1 -2,-0.1 -2,-0.1 -7,-0.0 -0.355 25.0-163.6 -79.1 151.9 37.5 -14.1 -22.3 83 84 A L S S+ 0 0 0 1,-0.2 100,-2.2 99,-0.1 101,-0.3 0.532 88.7 54.2 -96.0 -16.4 40.6 -12.6 -20.7 84 85 A Y S S- 0 0 69 -5,-0.2 -1,-0.2 98,-0.2 5,-0.1 -0.555 70.7-166.2-127.1 68.5 40.4 -9.7 -23.1 85 86 A P > - 0 0 30 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.322 22.4-136.6 -53.5 126.3 37.1 -7.8 -23.1 86 87 A A G > S+ 0 0 92 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.858 101.9 59.0 -57.5 -36.7 37.2 -5.6 -26.2 87 88 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.510 114.6 36.1 -74.9 -3.2 35.7 -2.7 -24.2 88 89 A R G <> S+ 0 0 97 -3,-2.0 4,-2.9 2,-0.1 5,-0.4 0.156 82.3 124.8-126.4 16.0 38.6 -2.8 -21.7 89 90 A A H <> S+ 0 0 55 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.856 76.1 35.6 -49.3 -54.8 41.3 -3.7 -24.2 90 91 A A H > S+ 0 0 78 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.910 118.8 49.9 -70.6 -41.7 43.9 -0.9 -23.7 91 92 A A H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 114.4 44.3 -64.1 -44.7 43.3 -0.5 -19.9 92 93 A A H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.904 114.2 50.3 -67.3 -42.5 43.7 -4.3 -19.3 93 94 A F H X S+ 0 0 110 -4,-2.1 4,-2.2 -5,-0.4 -2,-0.2 0.953 115.2 41.9 -58.2 -51.9 46.7 -4.5 -21.6 94 95 A A H X S+ 0 0 54 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.919 115.0 49.5 -66.4 -44.4 48.5 -1.6 -19.9 95 96 A M H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.898 111.0 50.4 -63.0 -40.3 47.6 -2.6 -16.4 96 97 A A H X S+ 0 0 7 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.917 109.7 50.8 -62.7 -43.5 48.8 -6.2 -17.0 97 98 A Q H X S+ 0 0 51 -4,-2.2 4,-0.8 2,-0.2 5,-0.2 0.932 112.8 45.7 -55.9 -48.8 52.1 -4.9 -18.4 98 99 A W H <>S+ 0 0 94 -4,-2.4 5,-2.5 1,-0.2 3,-0.5 0.897 114.6 48.7 -64.7 -39.0 52.7 -2.7 -15.4 99 100 A A H <>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 -2,-0.2 0.918 111.5 47.8 -67.2 -42.7 51.7 -5.5 -13.0 100 101 A D H <5S+ 0 0 18 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.522 128.3 22.3 -80.4 -7.0 54.0 -8.1 -14.7 101 102 A T T X5S+ 0 0 33 -4,-0.8 4,-2.7 -3,-0.5 5,-0.2 0.499 130.7 24.0-117.1 -88.8 57.0 -5.7 -14.7 102 103 A T H >5S+ 0 0 51 -5,-0.2 4,-1.6 1,-0.2 -3,-0.2 0.872 128.0 43.6 -48.3 -49.6 57.1 -2.8 -12.2 103 104 A L H >< S+ 0 0 16 -4,-2.6 3,-0.7 1,-0.2 6,-0.2 0.878 114.1 43.3 -59.8 -40.0 60.0 -6.8 -0.9 111 112 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 9,-0.2 0.782 103.6 67.9 -79.3 -24.9 60.1 -10.5 -0.4 112 113 A G H 3< S+ 0 0 44 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.596 74.3 109.7 -72.3 -9.9 63.9 -10.6 -0.9 113 114 A Q S S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.820 122.4 40.7 -47.7 -51.6 66.0 -11.0 5.2 115 116 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 85,-0.3 0.869 118.4 48.4 -66.8 -35.9 62.8 -12.1 7.0 116 117 A G H > S+ 0 0 0 -3,-0.4 4,-1.7 -6,-0.2 -1,-0.2 0.943 112.4 47.6 -66.6 -47.5 60.9 -12.6 3.7 117 118 A F H X S+ 0 0 58 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.875 108.4 54.9 -62.7 -41.0 63.8 -14.6 2.1 118 119 A K H < S+ 0 0 131 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.912 107.7 50.8 -57.6 -44.5 64.1 -16.8 5.2 119 120 A S H < S+ 0 0 33 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.859 111.5 47.7 -59.2 -40.5 60.3 -17.6 4.9 120 121 A L H < S+ 0 0 23 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.838 116.0 41.7 -70.8 -37.5 60.7 -18.6 1.2 121 122 A M S >< S+ 0 0 26 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.364 82.4 119.3 -92.4 4.0 63.8 -20.8 1.7 122 123 A A T 3 S+ 0 0 81 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.794 77.8 32.6 -42.2 -54.5 62.4 -22.4 4.9 123 124 A G T 3 S+ 0 0 75 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.123 100.8 102.5 -97.3 26.9 62.3 -26.0 3.9 124 125 A L S < S- 0 0 79 -3,-2.0 5,-0.0 1,-0.0 -3,-0.0 -0.844 75.5-102.9-119.5 144.2 65.2 -26.1 1.5 125 126 A P > - 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