==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-AUG-00 1E6B . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR R.THOM,A.J.LAPTHORN . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.7 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 1.0 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.1 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 0 1 1 1 0 1 0 1 1 0 0 0 0 0 0 0 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 . 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A K 0 0 125 0, 0.0 58,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 86.7 31.4 23.7 106.1 2 9 A L - 0 0 9 24,-0.4 26,-2.3 56,-0.1 2,-0.4 -0.173 360.0-159.0 -63.2 148.3 29.1 24.7 103.3 3 10 A K E -aB 28 57A 82 54,-2.2 54,-3.0 24,-0.2 2,-0.5 -0.987 1.9-160.7-125.9 140.7 25.9 26.6 104.1 4 11 A L E -aB 29 56A 0 24,-3.0 26,-3.2 -2,-0.4 2,-0.6 -0.977 9.4-151.3-127.4 120.2 22.8 26.8 101.8 5 12 A Y E +aB 30 55A 20 50,-2.9 50,-1.5 -2,-0.5 2,-0.3 -0.812 39.3 164.3 -85.1 120.0 20.2 29.5 102.2 6 13 A S E -a 31 0A 0 24,-2.4 26,-2.1 -2,-0.6 2,-0.4 -0.950 39.2-149.2-141.0 158.7 17.1 27.8 100.9 7 14 A Y > - 0 0 14 -2,-0.3 3,-1.7 24,-0.2 6,-0.2 -0.999 26.5-130.7-128.0 132.1 13.4 28.0 100.9 8 15 A W T 3 S+ 0 0 45 -2,-0.4 179,-0.1 1,-0.3 -1,-0.1 0.836 104.6 40.5 -55.8 -38.6 11.5 24.7 100.7 9 16 A R T 3 S+ 0 0 113 177,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.439 85.0 113.3 -90.3 -0.9 9.2 25.7 97.8 10 17 A S <> - 0 0 16 -3,-1.7 4,-2.2 1,-0.2 -3,-0.1 -0.601 52.7-158.7 -75.5 120.6 11.8 27.6 95.7 11 18 A S H > S+ 0 0 23 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.853 93.5 56.0 -64.6 -32.1 12.4 25.7 92.5 12 19 A C H > S+ 0 0 40 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.901 109.8 44.3 -66.5 -40.4 15.8 27.4 92.1 13 20 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 108.1 60.0 -69.3 -33.5 16.9 26.2 95.5 14 21 A H H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.919 102.0 53.5 -57.9 -46.5 15.5 22.7 94.6 15 22 A R H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.915 110.3 46.4 -53.6 -49.1 17.9 22.6 91.7 16 23 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.876 106.6 58.1 -63.7 -42.0 20.9 23.3 93.9 17 24 A R H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.885 105.1 51.3 -58.8 -33.7 19.8 20.7 96.6 18 25 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.935 109.0 50.8 -65.7 -46.2 19.9 18.0 93.9 19 26 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.934 110.4 48.4 -58.3 -46.6 23.4 19.0 93.0 20 27 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.878 113.1 48.4 -59.5 -43.7 24.6 18.9 96.6 21 28 A A H ><5S+ 0 0 39 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.929 111.4 49.2 -64.9 -44.0 23.0 15.5 97.1 22 29 A L H 3<5S+ 0 0 40 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.837 110.8 50.6 -66.1 -28.8 24.6 14.1 93.9 23 30 A K T 3<5S- 0 0 22 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.467 110.8-123.8 -85.0 -7.2 28.0 15.4 94.9 24 31 A G T < 5 + 0 0 60 -3,-1.2 2,-0.6 -4,-0.3 -3,-0.2 0.818 56.3 158.8 70.7 30.9 27.7 13.7 98.3 25 32 A L < - 0 0 30 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.1 -0.720 34.1-144.0 -98.6 124.0 28.2 17.1 100.0 26 33 A D + 0 0 149 -2,-0.6 -24,-0.4 -5,-0.0 2,-0.3 -0.494 29.4 164.1 -76.5 150.7 27.1 17.9 103.5 27 34 A Y - 0 0 70 -2,-0.1 2,-0.6 -26,-0.1 -24,-0.2 -0.987 42.2-103.0-163.4 160.7 25.8 21.3 104.4 28 35 A E E -a 3 0A 110 -26,-2.3 -24,-3.0 -2,-0.3 2,-0.6 -0.818 34.1-142.9 -88.2 117.0 23.9 23.5 106.8 29 36 A Y E -a 4 0A 33 -2,-0.6 -24,-0.2 -26,-0.2 -26,-0.0 -0.802 16.6-169.9 -83.5 116.5 20.4 24.2 105.6 30 37 A I E -a 5 0A 36 -26,-3.2 -24,-2.4 -2,-0.6 2,-0.1 -0.947 17.2-137.6-112.6 107.6 19.4 27.8 106.5 31 38 A P E -a 6 0A 69 0, 0.0 2,-0.4 0, 0.0 -24,-0.2 -0.383 18.8-173.6 -66.0 138.3 15.8 28.4 105.9 32 39 A V - 0 0 5 -26,-2.1 2,-1.2 -2,-0.1 5,-0.1 -0.947 19.0-143.9-133.8 101.2 14.7 31.7 104.3 33 40 A N > - 0 0 43 -2,-0.4 5,-2.1 1,-0.2 6,-0.3 -0.579 17.0-175.3 -71.9 100.3 10.9 32.1 104.2 34 41 A L T > 5S+ 0 0 48 -2,-1.2 3,-1.2 1,-0.2 -1,-0.2 0.867 80.8 54.7 -68.1 -32.8 10.3 33.9 100.9 35 42 A L T 3 5S+ 0 0 144 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.960 110.5 46.4 -63.0 -45.0 6.5 34.3 101.5 36 43 A K T 3 5S- 0 0 166 1,-0.1 -1,-0.3 3,-0.0 -2,-0.2 0.271 116.1-115.5 -75.4 -2.1 7.1 36.0 104.8 37 44 A G T X 5 + 0 0 27 -3,-1.2 3,-1.6 1,-0.1 -3,-0.2 0.666 63.8 147.3 70.5 33.8 9.8 38.3 103.3 38 45 A D G > < + 0 0 70 -5,-2.1 3,-1.2 1,-0.3 6,-0.2 0.708 62.9 72.1 -71.1 -17.2 12.8 37.0 105.3 39 46 A Q G 3 S+ 0 0 31 -6,-0.3 -1,-0.3 1,-0.2 -5,-0.1 0.542 92.2 56.8 -73.7 -9.0 15.1 37.7 102.3 40 47 A F G < S+ 0 0 151 -3,-1.6 -1,-0.2 4,-0.0 -2,-0.2 0.348 77.5 123.1-103.2 6.8 14.7 41.5 103.0 41 48 A D <> - 0 0 84 -3,-1.2 4,-1.8 1,-0.1 5,-0.1 -0.461 65.2-133.1 -64.0 135.2 16.0 41.2 106.6 42 49 A S H > S+ 0 0 99 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.789 101.7 52.0 -66.8 -28.4 19.1 43.4 107.1 43 50 A D H > S+ 0 0 128 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.906 110.2 48.1 -74.4 -38.6 21.3 40.7 108.9 44 51 A F H > S+ 0 0 16 1,-0.2 4,-3.3 2,-0.2 3,-0.4 0.920 108.6 56.2 -61.9 -39.9 20.7 38.2 106.1 45 52 A K H < S+ 0 0 99 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 101.6 57.9 -61.0 -30.3 21.6 41.1 103.6 46 53 A K H < S+ 0 0 169 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 115.3 34.2 -66.9 -42.3 24.9 41.4 105.5 47 54 A I H < S+ 0 0 77 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.856 132.7 31.5 -80.7 -36.5 25.8 37.8 104.8 48 55 A N >< + 0 0 0 -4,-3.3 3,-2.3 -5,-0.2 -1,-0.2 -0.712 66.8 173.4-124.7 72.8 24.1 37.8 101.3 49 56 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.854 80.3 61.1 -54.9 -33.5 24.4 41.3 99.9 50 57 A M T 3 S- 0 0 141 -3,-0.1 -5,-0.1 1,-0.1 -2,-0.0 0.790 97.7-149.6 -64.7 -26.2 23.0 40.1 96.6 51 58 A G < + 0 0 15 -3,-2.3 2,-0.3 1,-0.2 -1,-0.1 0.517 46.7 126.6 78.2 3.9 19.9 39.2 98.6 52 59 A T - 0 0 69 2,-0.1 -1,-0.2 13,-0.0 -47,-0.1 -0.676 53.9-107.6-103.1 159.8 18.7 36.2 96.6 53 60 A V S S+ 0 0 23 -2,-0.3 -40,-0.2 11,-0.1 -41,-0.2 -0.983 93.7 50.5-124.9 131.3 17.9 32.6 97.5 54 61 A P S S+ 0 0 3 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.435 73.9 165.4 -77.7 158.3 19.4 30.2 96.9 55 62 A A E -BC 5 64A 0 -50,-1.5 -50,-2.9 9,-0.2 2,-0.5 -0.976 22.5-153.5-141.0 128.2 22.7 31.3 98.2 56 63 A L E -BC 4 63A 0 7,-2.9 7,-2.9 -2,-0.4 2,-0.6 -0.890 5.1-159.5-105.4 125.4 25.7 29.1 98.9 57 64 A V E +BC 3 62A 13 -54,-3.0 -54,-2.2 -2,-0.5 2,-0.5 -0.952 12.8 176.3-105.3 121.2 28.2 30.1 101.5 58 65 A D E > - C 0 61A 24 3,-3.7 3,-2.2 -2,-0.6 2,-0.3 -0.883 66.9 -67.7-122.7 80.9 31.6 28.4 101.1 59 66 A G T 3 S- 0 0 61 -2,-0.5 -1,-0.1 -58,-0.3 -56,-0.0 -0.342 120.4 -8.3 70.3-118.2 33.7 30.1 103.9 60 67 A D T 3 S+ 0 0 171 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.549 120.4 94.6 -80.0 -17.8 34.1 33.7 102.8 61 68 A V E < -C 58 0A 64 -3,-2.2 -3,-3.7 2,-0.0 2,-0.5 -0.779 53.0-172.2 -91.2 126.5 32.7 33.0 99.4 62 69 A V E -C 57 0A 46 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.976 4.8-169.3-116.3 121.9 29.0 33.6 98.7 63 70 A I E -C 56 0A 32 -7,-2.9 -7,-2.9 -2,-0.5 2,-0.2 -0.969 2.7-172.7-115.5 129.3 27.6 32.4 95.4 64 71 A N E +C 55 0A 27 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.630 45.9 62.6-111.2 170.6 24.1 33.4 94.2 65 72 A D S > S- 0 0 70 -11,-0.7 4,-3.1 -2,-0.2 5,-0.3 0.730 73.5-118.9 78.8 122.2 22.2 32.1 91.2 66 73 A S H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.868 113.2 45.6 -55.6 -41.8 21.1 28.5 90.9 67 74 A F H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.951 114.0 47.3 -71.5 -45.2 23.2 27.9 87.7 68 75 A A H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.869 113.1 50.2 -64.3 -39.9 26.3 29.7 89.0 69 76 A I H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.928 111.1 48.2 -61.9 -43.6 26.1 27.7 92.3 70 77 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.921 112.9 48.0 -64.7 -41.3 25.7 24.4 90.4 71 78 A M H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.926 110.6 51.9 -66.9 -39.6 28.7 25.2 88.1 72 79 A Y H X S+ 0 0 56 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.939 111.8 46.7 -62.1 -46.1 30.8 26.2 91.1 73 80 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.902 113.0 48.7 -60.2 -41.5 30.0 22.9 92.8 74 81 A D H < S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 115.7 44.4 -67.2 -36.1 30.7 20.9 89.6 75 82 A E H < S+ 0 0 149 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.790 118.9 40.7 -78.0 -30.3 34.0 22.7 89.1 76 83 A K H < S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.831 129.9 28.0 -83.6 -35.3 35.1 22.5 92.8 77 84 A Y S < S- 0 0 65 -4,-2.4 -1,-0.3 -5,-0.3 -52,-0.1 -0.837 75.2-178.5-128.4 81.7 33.9 19.0 93.4 78 85 A P + 0 0 79 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.605 36.0 119.2 -63.3 -24.2 34.1 17.3 90.0 79 86 A E S S+ 0 0 166 -56,-0.1 3,-0.0 2,-0.1 0, 0.0 -0.946 75.6 20.6 -92.3 156.2 32.8 13.8 90.8 80 87 A P S S- 0 0 64 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.583 101.9-126.1 -43.9 143.2 30.2 12.6 89.6 81 88 A P - 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.495 13.7-155.5 -66.4 135.6 30.4 15.0 86.7 82 89 A L S S+ 0 0 2 -2,-0.2 59,-3.0 58,-0.1 60,-0.2 0.468 81.0 55.2 -90.2 2.1 27.3 17.1 86.0 83 90 A L S S- 0 0 9 57,-0.2 7,-0.1 58,-0.1 56,-0.1 -0.991 83.8-125.8-131.4 143.1 28.3 17.6 82.3 84 91 A P - 0 0 7 0, 0.0 -2,-0.1 0, 0.0 6,-0.1 -0.200 21.3-116.7 -74.4 173.6 29.0 14.8 79.8 85 92 A R S S+ 0 0 237 4,-0.1 2,-0.1 5,-0.0 5,-0.0 0.893 86.7 93.7 -76.6 -37.0 32.2 14.6 77.7 86 93 A D > - 0 0 76 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.354 69.8-144.7 -65.1 122.2 30.6 15.0 74.3 87 94 A L H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.866 99.1 50.0 -58.8 -40.0 30.7 18.7 73.2 88 95 A H H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 111.1 47.9 -64.1 -48.6 27.3 18.5 71.5 89 96 A K H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.887 110.1 53.8 -61.6 -34.0 25.6 16.8 74.5 90 97 A R H X S+ 0 0 77 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.937 107.1 51.7 -62.4 -43.7 27.1 19.5 76.7 91 98 A A H X S+ 0 0 36 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.879 107.9 51.2 -61.5 -41.9 25.6 22.1 74.4 92 99 A V H X S+ 0 0 9 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.901 108.4 52.5 -59.5 -39.6 22.2 20.4 74.7 93 100 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.934 110.3 47.0 -61.9 -43.9 22.5 20.5 78.5 94 101 A Y H X S+ 0 0 89 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.860 112.5 50.2 -65.1 -33.8 23.3 24.2 78.5 95 102 A Q H X S+ 0 0 92 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 110.6 48.7 -68.8 -41.3 20.3 24.9 76.1 96 103 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.922 111.9 50.6 -63.7 -44.5 17.9 22.9 78.3 97 104 A M H X S+ 0 0 16 -4,-2.3 4,-3.4 -5,-0.2 -2,-0.2 0.961 110.9 48.8 -55.8 -49.7 19.3 24.9 81.3 98 105 A S H X>S+ 0 0 51 -4,-2.7 4,-2.7 1,-0.2 5,-1.2 0.866 106.1 55.0 -66.8 -36.4 18.7 28.2 79.5 99 106 A I H X>S+ 0 0 38 -4,-2.4 5,-2.5 3,-0.2 4,-1.0 0.956 117.3 38.2 -60.8 -43.4 15.1 27.4 78.4 100 107 A V H <>S+ 0 0 0 -4,-2.0 5,-2.1 3,-0.2 -2,-0.2 0.965 120.1 45.4 -69.0 -51.2 14.2 26.7 82.0 101 108 A L H <5S+ 0 0 49 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.882 137.3 5.9 -58.3 -47.4 16.3 29.5 83.6 102 109 A S H <5S+ 0 0 76 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.541 128.2 56.1-120.0 -14.5 15.4 32.3 81.2 103 110 A G T < + 0 0 30 -2,-0.6 4,-0.7 45,-0.3 -2,-0.0 -0.811 26.1 159.3-102.5 94.8 -0.5 28.3 82.2 113 138 A N H > + 0 0 100 -2,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.607 66.4 75.4 -92.1 -9.9 0.5 28.3 78.5 114 139 A A H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.947 100.8 46.9 -58.9 -43.8 3.9 29.9 79.3 115 140 A I H > S+ 0 0 8 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.925 107.2 56.2 -60.1 -44.1 4.7 26.4 80.5 116 141 A T H X S+ 0 0 50 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.925 108.9 48.4 -48.5 -53.0 3.2 24.9 77.3 117 142 A K H X S+ 0 0 165 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.945 116.1 40.5 -57.1 -53.5 5.6 27.0 75.3 118 143 A G H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.885 114.9 50.5 -67.7 -40.6 8.7 26.1 77.3 119 144 A F H X S+ 0 0 0 -4,-3.5 4,-2.4 -5,-0.2 5,-0.2 0.887 107.3 55.4 -64.6 -34.3 7.9 22.4 77.7 120 145 A T H X S+ 0 0 59 -4,-2.1 4,-2.3 -5,-0.4 -2,-0.2 0.937 110.6 45.7 -62.2 -44.7 7.2 22.2 73.9 121 146 A A H X S+ 0 0 37 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.906 112.1 50.3 -65.3 -45.4 10.8 23.6 73.3 122 147 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.908 111.4 48.7 -59.4 -40.0 12.4 21.2 75.9 123 148 A E H X S+ 0 0 23 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.941 111.2 50.4 -61.7 -46.2 10.6 18.2 74.3 124 149 A K H < S+ 0 0 149 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.919 114.7 45.1 -54.4 -46.6 11.8 19.4 70.8 125 150 A L H < S+ 0 0 37 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.940 120.4 35.5 -67.9 -43.1 15.3 19.7 72.2 126 151 A L H >< S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.668 89.4 87.8 -93.4 -13.1 15.6 16.4 74.1 127 152 A V T 3< S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.815 89.5 53.0 -61.2 -24.6 13.6 13.9 72.1 128 153 A N T 3 S+ 0 0 148 -3,-0.4 2,-0.8 -4,-0.4 -1,-0.3 0.381 84.9 96.5 -96.7 12.6 16.6 13.0 70.0 129 154 A C S < S- 0 0 25 -3,-2.4 7,-0.3 5,-0.2 2,-0.2 -0.874 70.9-144.0 -99.9 104.7 18.8 12.2 72.9 130 155 A A + 0 0 97 -2,-0.8 2,-0.2 5,-0.1 3,-0.1 -0.535 51.8 76.7 -67.5 143.0 18.7 8.5 73.5 131 156 A G S S- 0 0 27 -2,-0.2 6,-0.2 5,-0.1 -2,-0.1 -0.763 85.9 -79.5 142.5 167.7 18.8 7.5 77.2 132 157 A K S S+ 0 0 128 -2,-0.2 5,-0.2 3,-0.1 41,-0.2 0.777 109.1 27.9 -68.3 -34.1 17.2 7.1 80.5 133 158 A H B > S-D 136 0B 15 3,-2.6 3,-0.7 5,-0.1 37,-0.1 -0.265 112.5 -61.9-118.7-161.4 17.4 10.7 81.5 134 159 A A T 3 S+ 0 0 0 1,-0.2 -5,-0.2 6,-0.1 3,-0.1 0.888 126.9 9.1 -59.5 -45.6 17.6 14.1 79.6 135 160 A T T 3 S- 0 0 3 3,-0.4 2,-0.3 1,-0.2 -1,-0.2 -0.417 127.5 -40.5-134.2 60.1 20.9 13.4 77.6 136 161 A G B < S-D 133 0B 13 -3,-0.7 -3,-2.6 -7,-0.3 -1,-0.2 -0.740 87.9 -48.0 120.7-167.7 21.9 9.8 78.1 137 162 A D S S+ 0 0 99 -2,-0.3 2,-0.3 -6,-0.2 -1,-0.1 0.470 111.5 67.1 -93.0 2.1 22.0 7.2 80.8 138 163 A E S S- 0 0 122 -3,-0.2 -3,-0.4 -5,-0.0 2,-0.3 -0.783 89.7-101.7-114.0 161.6 23.7 9.4 83.5 139 164 A I + 0 0 24 -2,-0.3 2,-0.2 -6,-0.1 -2,-0.1 -0.639 48.2 168.1 -82.7 129.7 22.3 12.5 85.3 140 165 A Y >> - 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0 0 34 -3,-1.7 4,-2.6 1,-0.2 3,-0.7 -0.803 62.1-151.3 -93.1 116.4 17.1 8.3 92.6 178 203 A P H 3> S+ 0 0 88 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.840 93.9 58.5 -53.6 -41.6 17.8 9.2 96.2 179 204 A A H 3> S+ 0 0 15 1,-0.2 4,-0.8 2,-0.2 -158,-0.2 0.879 112.4 41.9 -57.2 -40.7 19.6 12.5 95.4 180 205 A F H <> S+ 0 0 6 -3,-0.7 4,-0.7 -6,-0.2 3,-0.4 0.941 114.6 49.7 -70.9 -42.5 16.4 13.7 93.6 181 206 A Q H >< S+ 0 0 79 -4,-2.6 3,-1.0 -7,-0.3 6,-0.2 0.924 110.8 49.9 -64.4 -44.5 14.0 12.3 96.3 182 207 A N H 3< S+ 0 0 103 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.784 106.9 55.1 -62.4 -33.6 15.9 13.9 99.1 183 208 A A H 3< S+ 0 0 4 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.593 79.3 123.7 -83.9 -6.1 15.9 17.3 97.5 184 209 A L S X< S- 0 0 36 -3,-1.0 3,-1.5 -4,-0.7 4,-0.4 -0.172 71.5-120.0 -55.6 144.2 12.1 17.5 97.0 185 210 A P G > S+ 0 0 8 0, 0.0 3,-1.8 0, 0.0 6,-0.1 0.893 111.0 58.0 -51.2 -46.6 10.4 20.6 98.5 186 211 A E G 3 S+ 0 0 94 1,-0.3 -2,-0.1 5,-0.1 -177,-0.1 0.692 103.3 54.3 -64.8 -18.0 8.2 18.4 100.8 187 212 A K G < S+ 0 0 126 -3,-1.5 -1,-0.3 -6,-0.2 -3,-0.1 0.429 84.5 111.3 -90.9 -2.6 11.2 16.8 102.4 188 213 A Q S X S- 0 0 18 -3,-1.8 3,-2.0 -4,-0.4 -5,-0.0 -0.388 78.8-113.4 -80.4 159.3 13.0 20.0 103.5 189 214 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.794 117.0 43.2 -57.1 -33.3 13.5 21.2 107.0 190 215 A D T 3 S+ 0 0 40 -5,-0.1 3,-0.1 2,-0.0 -4,-0.1 0.380 88.9 119.6 -97.7 7.9 11.2 24.2 106.5 191 216 A A S < S- 0 0 12 -3,-2.0 -5,-0.1 1,-0.1 -4,-0.0 -0.352 77.9 -82.7 -73.6 154.7 8.5 22.4 104.6 192 217 A P - 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