==== 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 TRANSFERASE/PEPTIDE 14-OCT-98 1BX9 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR L.PRADE,R.HUBER,B.BIESELER . 213 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.2 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 0.9 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 0 0 0 1 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 75 0, 0.0 58,-3.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 80.9 6.0 9.4 26.8 2 2 A I B +A 58 0A 17 24,-0.4 26,-1.6 56,-0.3 2,-0.4 -0.782 360.0 168.5 -94.7 120.5 7.9 11.9 24.6 3 3 A K E -b 28 0A 67 54,-2.0 2,-0.5 -2,-0.6 54,-0.5 -0.984 17.6-159.5-134.3 117.4 7.1 15.5 25.3 4 4 A V E -b 29 0A 0 24,-1.8 26,-2.4 -2,-0.4 2,-0.7 -0.872 7.4-155.2 -97.9 124.9 9.2 18.3 23.8 5 5 A F E +bC 30 55A 14 50,-3.4 50,-2.2 -2,-0.5 2,-0.3 -0.896 48.2 85.3-104.2 108.1 9.0 21.6 25.6 6 6 A G E S-b 31 0A 0 24,-2.0 26,-1.4 -2,-0.7 -2,-0.0 -0.944 75.8 -73.3-171.5-165.3 9.8 24.4 23.3 7 7 A H > - 0 0 28 -2,-0.3 3,-2.3 24,-0.2 6,-0.3 -0.977 32.5-137.6-118.5 122.3 8.9 26.9 20.7 8 8 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.532 103.2 53.8 -55.7 -11.0 8.3 25.7 17.1 9 9 A A T 3 S+ 0 0 25 4,-0.0 2,-0.2 5,-0.0 200,-0.0 0.555 84.7 109.0-100.0 -11.4 10.1 28.6 15.5 10 10 A S <> - 0 0 0 -3,-2.3 4,-2.5 1,-0.1 5,-0.2 -0.467 64.1-146.7 -71.3 133.8 13.2 28.0 17.6 11 11 A I H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.894 101.5 52.6 -65.1 -41.3 16.2 26.6 15.8 12 12 A A H > S+ 0 0 2 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.829 112.5 44.7 -66.0 -34.6 17.3 24.6 18.8 13 13 A T H >> S+ 0 0 0 -6,-0.3 4,-1.4 2,-0.2 3,-0.8 0.870 109.3 54.2 -78.0 -40.2 13.8 23.0 19.1 14 14 A R H 3X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.3 5,-0.2 0.874 101.2 61.9 -61.6 -32.6 13.5 22.3 15.4 15 15 A R H 3X S+ 0 0 3 -4,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.850 107.1 44.3 -60.7 -34.0 16.8 20.5 15.7 16 16 A V H <>S+ 0 0 0 -4,-1.4 5,-2.9 1,-0.2 3,-0.5 0.901 112.8 43.3 -64.1 -46.4 12.5 12.7 16.4 21 21 A H H ><5S+ 0 0 38 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.807 106.9 62.2 -69.2 -32.4 10.9 12.4 12.9 22 22 A E H 3<5S+ 0 0 13 -4,-2.5 60,-2.5 1,-0.3 -1,-0.2 0.725 108.4 42.3 -65.3 -25.3 14.1 10.8 11.6 23 23 A K T <<5S- 0 0 0 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.033 114.6-120.2-108.1 19.9 13.5 7.9 14.1 24 24 A N T < 5 + 0 0 130 -3,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.776 58.6 162.3 42.3 40.3 9.7 7.9 13.2 25 25 A L < - 0 0 23 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.447 37.1-130.3 -88.0 157.7 9.0 8.7 16.9 26 26 A D + 0 0 147 -2,-0.1 -24,-0.4 -3,-0.1 2,-0.3 -0.902 38.0 153.0-108.0 138.9 5.8 10.0 18.2 27 27 A F - 0 0 46 -2,-0.4 2,-0.5 -26,-0.1 -24,-0.2 -0.942 40.3-120.4-154.5 174.7 5.8 13.0 20.5 28 28 A E E -b 3 0A 117 -26,-1.6 -24,-1.8 -2,-0.3 2,-1.2 -0.987 20.9-141.2-128.6 118.3 3.8 16.0 21.8 29 29 A L E -b 4 0A 58 -2,-0.5 2,-0.7 -26,-0.2 -24,-0.2 -0.688 16.8-160.6 -83.4 97.0 5.3 19.4 21.3 30 30 A V E -b 5 0A 37 -26,-2.4 -24,-2.0 -2,-1.2 2,-0.2 -0.730 18.3-135.1 -81.2 114.3 4.3 21.2 24.5 31 31 A H E -b 6 0A 77 -2,-0.7 2,-0.4 -26,-0.2 -24,-0.2 -0.476 14.7-158.3 -76.5 139.8 4.6 24.9 23.6 32 32 A V - 0 0 3 -26,-1.4 2,-1.2 -2,-0.2 3,-0.1 -0.972 18.2-131.5-119.1 126.8 6.3 27.4 25.9 33 33 A E > + 0 0 63 -2,-0.4 5,-1.9 1,-0.2 3,-0.5 -0.700 25.2 178.7 -84.1 98.2 5.4 31.1 25.6 34 34 A L T > 5S+ 0 0 23 -2,-1.2 3,-0.9 1,-0.2 -1,-0.2 0.799 81.5 58.7 -67.6 -28.3 8.8 32.8 25.5 35 35 A K T 3 5S+ 0 0 147 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.821 103.6 49.9 -72.4 -31.1 6.9 36.1 25.1 36 36 A D T 3 5S- 0 0 117 -3,-0.5 -1,-0.3 1,-0.0 -2,-0.2 0.364 115.1-117.0 -89.5 5.8 5.1 35.6 28.4 37 37 A G T X 5 + 0 0 26 -3,-0.9 3,-1.2 -4,-0.1 -3,-0.2 0.716 67.4 144.7 65.7 25.2 8.4 34.8 30.1 38 38 A E G > < + 0 0 68 -5,-1.9 3,-1.9 1,-0.3 6,-0.3 0.923 63.0 58.1 -58.7 -50.5 7.2 31.3 30.9 39 39 A H G 3 S+ 0 0 9 1,-0.3 -1,-0.3 -6,-0.2 9,-0.1 0.609 100.6 59.4 -59.1 -14.6 10.6 29.7 30.5 40 40 A K G < S+ 0 0 101 -3,-1.2 2,-0.3 2,-0.1 -1,-0.3 0.127 103.8 57.4-104.7 23.8 12.0 31.9 33.2 41 41 A K S X S- 0 0 103 -3,-1.9 3,-1.4 0, 0.0 4,-0.4 -0.996 89.9 -48.7-152.4 151.7 9.7 30.8 35.9 42 42 A E T 3 S+ 0 0 115 -2,-0.3 -2,-0.1 1,-0.3 0, 0.0 -0.150 109.2 28.1 -53.2 148.5 8.6 27.6 37.7 43 43 A P T > S+ 0 0 98 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 -0.970 121.9 52.1 -89.6 6.5 7.8 24.8 36.8 44 44 A F G X> S+ 0 0 7 -3,-1.4 4,-2.7 -6,-0.3 3,-2.4 0.856 99.6 67.1 -68.0 -31.6 9.8 25.1 33.6 45 45 A L G 34 S+ 0 0 56 -4,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.657 96.5 55.8 -62.0 -14.7 12.8 26.0 35.7 46 46 A S G <4 S+ 0 0 88 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.557 109.8 45.3 -91.3 -11.2 12.6 22.5 37.0 47 47 A R T <4 S+ 0 0 54 -3,-2.4 -2,-0.2 1,-0.3 9,-0.2 0.781 138.0 5.3 -95.3 -37.6 12.8 21.2 33.5 48 48 A N >< - 0 0 2 -4,-2.7 3,-2.2 -9,-0.1 -1,-0.3 -0.789 62.8-166.3-150.4 100.0 15.7 23.5 32.5 49 49 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.598 90.6 62.6 -63.7 -11.2 17.2 25.7 35.4 50 50 A F T 3 S- 0 0 145 2,-0.1 -5,-0.1 0, 0.0 -11,-0.0 0.442 109.4-125.6 -93.4 -1.0 19.0 27.8 32.8 51 51 A G < + 0 0 1 -3,-2.2 2,-0.3 1,-0.2 -6,-0.1 0.931 62.3 119.4 58.3 58.7 15.6 28.8 31.4 52 52 A Q - 0 0 51 -4,-0.2 163,-0.2 -8,-0.1 -1,-0.2 -0.967 54.5 -81.5-145.7 162.5 15.8 28.0 27.7 53 53 A V S S+ 0 0 0 161,-2.9 -41,-0.2 -2,-0.3 -47,-0.2 -0.844 85.1 55.0-111.9 149.8 14.1 25.8 25.2 54 54 A P + 0 0 0 0, 0.0 11,-1.1 0, 0.0 2,-0.3 0.426 54.5 168.4 -87.4 162.6 14.1 23.0 24.3 55 55 A A E -CD 5 64A 0 -50,-2.2 -50,-3.4 9,-0.2 2,-0.3 -0.913 17.8-159.3-123.8 149.7 13.4 20.8 27.2 56 56 A F E - D 0 63A 2 7,-3.0 7,-1.6 -2,-0.3 2,-0.3 -0.872 15.0-168.3-134.9 163.0 12.7 17.1 26.6 57 57 A E E - D 0 62A 31 -54,-0.5 -54,-2.0 -2,-0.3 2,-0.9 -0.823 8.9-175.0-157.8 113.8 11.1 14.1 28.4 58 58 A D E > S-AD 2 61A 21 3,-2.5 3,-1.8 -2,-0.3 2,-1.0 -0.832 75.8 -66.5-106.8 83.2 11.2 10.5 27.4 59 59 A G T 3 S- 0 0 27 -58,-3.4 -56,-0.0 -2,-0.9 0, 0.0 -0.546 120.2 -10.4 73.3-102.9 8.8 9.2 30.0 60 60 A D T 3 S+ 0 0 160 -2,-1.0 2,-0.4 -3,-0.1 -1,-0.3 0.691 115.2 95.4-101.1 -25.8 10.7 9.7 33.3 61 61 A L E < -D 58 0A 85 -3,-1.8 -3,-2.5 -4,-0.0 2,-0.4 -0.550 60.3-164.7 -71.8 125.9 14.0 10.6 31.7 62 62 A K E +D 57 0A 94 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.903 14.0 163.7-115.1 142.7 14.3 14.4 31.5 63 63 A L E -D 56 0A 29 -7,-1.6 -7,-3.0 -2,-0.4 2,-0.3 -0.907 14.5-174.9-147.8 170.5 16.8 16.3 29.4 64 64 A F E +D 55 0A 56 -2,-0.3 -9,-0.2 -9,-0.3 4,-0.1 -0.905 49.0 79.0-157.9 173.8 17.6 19.7 27.9 65 65 A E S >> S- 0 0 75 -11,-1.1 4,-1.4 147,-0.4 3,-1.1 0.794 75.1-121.3 78.1 105.5 20.2 21.2 25.6 66 66 A S H 3> S+ 0 0 0 146,-1.7 4,-1.9 1,-0.3 5,-0.1 0.769 107.5 47.7 -50.6 -40.9 19.3 20.2 22.0 67 67 A R H 3> S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.744 108.0 55.6 -78.1 -22.1 22.4 18.3 21.0 68 68 A A H <> S+ 0 0 45 -3,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.821 111.2 46.5 -74.5 -28.0 22.4 16.3 24.3 69 69 A I H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.889 109.2 52.0 -79.3 -41.9 18.8 15.2 23.3 70 70 A T H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.948 111.0 48.1 -61.3 -44.9 19.6 14.4 19.8 71 71 A Q H X S+ 0 0 75 -4,-1.7 4,-1.7 1,-0.2 5,-0.2 0.818 109.9 53.6 -63.8 -34.7 22.5 12.1 20.9 72 72 A Y H X S+ 0 0 42 -4,-1.0 4,-2.8 2,-0.2 5,-0.3 0.958 112.5 42.9 -63.3 -51.7 20.2 10.5 23.4 73 73 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.912 109.1 59.6 -59.8 -44.6 17.7 9.7 20.7 74 74 A A H < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 10,-0.2 0.853 120.4 25.7 -54.1 -42.3 20.4 8.6 18.4 75 75 A H H >< S+ 0 0 109 -4,-1.7 3,-2.5 -3,-0.3 4,-0.3 0.943 119.2 54.2 -87.7 -58.8 21.6 5.9 20.8 76 76 A R H 3< S+ 0 0 134 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.707 124.6 30.0 -49.1 -25.2 18.4 5.2 22.8 77 77 A Y T >< S+ 0 0 26 -4,-2.1 3,-0.9 -5,-0.3 -1,-0.3 -0.177 81.8 129.7-130.7 44.5 16.6 4.5 19.5 78 78 A E T < + 0 0 67 -3,-2.5 2,-1.2 1,-0.3 -2,-0.1 0.944 69.4 53.8 -63.2 -54.6 19.5 3.3 17.4 79 79 A N T 3 S+ 0 0 166 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 -0.036 104.6 73.9 -76.6 39.2 17.8 0.1 16.0 80 80 A Q S < S- 0 0 76 -2,-1.2 -55,-0.1 -3,-0.9 -3,-0.1 -0.987 96.5 -19.5-154.8 137.5 14.9 2.3 14.8 81 81 A G S S- 0 0 46 -2,-0.3 -58,-0.3 -58,-0.1 2,-0.2 -0.281 111.9 -7.9 64.8-150.5 14.5 4.7 11.9 82 82 A T S S- 0 0 54 -60,-2.5 2,-0.8 1,-0.1 -2,-0.2 -0.532 74.2-116.6 -79.7 144.8 17.5 6.3 10.2 83 83 A N - 0 0 57 -2,-0.2 -5,-0.1 1,-0.1 -2,-0.1 -0.781 27.6-173.8 -84.6 112.0 20.9 5.6 11.9 84 84 A L + 0 0 0 -2,-0.8 82,-1.3 -10,-0.2 2,-0.2 0.025 62.6 73.4 -94.9 26.3 22.1 9.1 12.9 85 85 A L S S- 0 0 15 80,-0.2 -2,-0.1 79,-0.1 2,-0.1 -0.706 98.4 -63.4-129.1 178.6 25.4 7.6 13.9 86 86 A Q - 0 0 13 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.368 42.0-126.8 -66.5 145.9 28.5 6.3 12.2 87 87 A T S S+ 0 0 94 1,-0.2 2,-0.8 2,-0.1 -1,-0.1 0.955 102.0 42.1 -58.1 -56.5 28.0 3.2 10.1 88 88 A D > - 0 0 78 1,-0.1 3,-1.4 3,-0.1 -1,-0.2 -0.835 69.2-169.3 -99.8 107.9 30.7 1.2 11.8 89 89 A S T 3 S+ 0 0 103 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.633 85.0 57.4 -69.6 -15.9 30.5 1.8 15.5 90 90 A K T 3 S+ 0 0 197 1,-0.0 2,-1.0 4,-0.0 -1,-0.3 0.531 79.7 102.3 -94.3 -4.3 33.8 0.0 16.2 91 91 A N <> - 0 0 63 -3,-1.4 4,-1.3 1,-0.2 3,-0.5 -0.682 50.8-172.0 -84.8 103.0 35.7 2.4 13.9 92 92 A I H > S+ 0 0 128 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.798 85.5 60.7 -64.8 -28.7 37.5 4.9 16.2 93 93 A S H > S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.875 106.1 45.2 -66.7 -38.5 38.5 6.9 13.1 94 94 A Q H > S+ 0 0 38 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.750 111.7 54.2 -75.5 -25.8 34.8 7.4 12.3 95 95 A Y H X S+ 0 0 151 -4,-1.3 4,-1.9 2,-0.2 3,-0.3 0.950 109.5 45.5 -70.1 -49.7 34.2 8.3 15.9 96 96 A A H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.804 109.8 56.6 -61.7 -34.6 36.8 11.0 16.0 97 97 A I H X S+ 0 0 33 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.859 111.1 41.7 -67.3 -39.4 35.6 12.4 12.7 98 98 A M H X S+ 0 0 15 -4,-1.3 4,-1.9 -3,-0.3 -2,-0.2 0.787 110.1 57.9 -79.8 -29.6 32.1 12.9 14.0 99 99 A A H X S+ 0 0 28 -4,-1.9 4,-1.6 2,-0.2 3,-0.2 0.960 110.3 42.9 -62.9 -51.5 33.3 14.3 17.3 100 100 A I H >X S+ 0 0 102 -4,-2.0 4,-2.8 1,-0.2 3,-0.7 0.963 113.6 54.1 -58.2 -50.1 35.3 17.1 15.6 101 101 A G H 3X S+ 0 0 12 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.791 110.2 44.5 -54.4 -35.8 32.3 17.7 13.3 102 102 A M H 3X S+ 0 0 27 -4,-1.9 4,-0.8 -3,-0.2 -1,-0.3 0.713 114.4 50.0 -82.4 -23.1 29.8 18.1 16.1 103 103 A Q H S+ 0 0 43 -4,-2.8 4,-3.3 2,-0.2 5,-1.1 0.911 108.4 47.2 -68.3 -49.1 32.8 22.5 14.9 105 105 A E H <>S+ 0 0 0 -4,-1.6 5,-3.6 1,-0.2 4,-0.3 0.869 113.7 50.1 -64.7 -33.7 29.2 23.2 14.0 106 106 A D H <5S+ 0 0 50 -4,-0.8 -1,-0.2 3,-0.2 -2,-0.2 0.823 124.3 26.4 -75.3 -30.5 28.5 24.1 17.6 107 107 A H H <5S+ 0 0 111 -4,-1.5 -2,-0.2 3,-0.1 -3,-0.2 0.832 134.0 27.0-101.6 -38.0 31.4 26.5 18.0 108 108 A Q T <5S+ 0 0 92 -4,-3.3 4,-0.3 -5,-0.2 -3,-0.2 0.814 129.6 27.8 -97.1 -34.9 32.1 27.7 14.5 109 109 A F T >> S+ 0 0 63 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.852 116.3 39.4 -57.8 -33.1 27.1 31.1 16.6 112 112 A V H <> S+ 0 0 8 -3,-0.7 4,-2.0 -4,-0.3 -2,-0.2 0.950 114.3 49.1 -81.7 -52.2 27.4 32.8 13.2 113 113 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -3,-0.2 0.677 111.0 53.6 -63.6 -19.3 24.3 31.4 11.5 114 114 A S H X S+ 0 0 24 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.914 108.6 45.8 -80.5 -46.8 22.1 32.4 14.5 115 115 A K H X S+ 0 0 97 -4,-1.1 4,-2.2 -5,-0.3 -2,-0.2 0.852 115.4 50.1 -63.0 -32.2 23.3 36.0 14.6 116 116 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.837 111.5 46.1 -76.5 -35.5 22.7 36.1 10.8 117 117 A A H X>S+ 0 0 0 -4,-1.2 4,-0.9 -5,-0.2 5,-0.7 0.810 113.5 50.7 -77.8 -29.4 19.2 34.6 11.0 118 118 A F H >X>S+ 0 0 85 -4,-2.2 5,-2.0 2,-0.2 4,-1.5 0.973 110.2 47.0 -70.0 -54.6 18.3 36.9 13.8 119 119 A E H 3<5S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.755 124.6 34.0 -57.9 -27.2 19.5 40.1 12.1 120 120 A Q H 3<5S+ 0 0 34 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.346 130.4 21.3-115.4 3.7 17.7 39.1 8.9 121 121 A I H <<5S+ 0 0 40 -3,-0.9 -3,-0.2 -4,-0.9 -2,-0.1 0.543 125.1 36.9-141.3 -26.0 14.5 37.2 9.9 122 122 A F T X4XS+ 0 0 36 -5,-2.0 5,-2.6 1,-0.2 3,-0.7 0.904 105.6 57.3 -71.2 -41.1 14.4 41.7 13.6 124 124 A S G >45S+ 0 0 78 -6,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.696 97.0 65.6 -62.7 -19.3 12.4 42.3 10.4 125 125 A I G 345S+ 0 0 102 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.912 104.9 41.6 -69.4 -43.0 9.4 40.9 12.3 126 126 A Y G <<5S- 0 0 138 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 -0.085 124.2-104.4 -95.4 32.7 9.3 43.8 14.7 127 127 A G T < 5S+ 0 0 66 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.592 74.2 147.0 55.7 15.4 10.0 46.2 11.8 128 128 A L < - 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