==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-MAY-11 3AY8 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOMBYX MORI; . AUTHOR Y.KAKUTA,K.USUDA,T.NAKASHIMA,M.KIMURA,Y.ASO,K.YAMAMOTO . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 75.3 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 . 9 4.2 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 1 0 0 0 1 0 1 1 1 0 2 0 1 0 1 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 . 0 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 2 A S 0 0 112 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -39.1 59.5 0.7 -9.3 2 3 A S - 0 0 66 1,-0.1 58,-0.5 57,-0.1 2,-0.3 -0.364 360.0-106.4 -64.2 141.4 57.7 3.9 -8.5 3 4 A L - 0 0 12 24,-0.3 26,-3.1 56,-0.1 2,-0.4 -0.544 43.2-163.7 -69.1 129.1 55.9 4.0 -5.1 4 5 A K E -aB 29 58A 43 54,-2.3 54,-3.1 -2,-0.3 2,-0.5 -0.960 17.5-165.1-126.2 136.3 52.1 3.9 -5.7 5 6 A L E -aB 30 57A 3 24,-3.1 26,-2.5 -2,-0.4 2,-0.7 -0.975 13.9-148.8-115.4 121.9 48.9 4.6 -3.6 6 7 A Y E -aB 31 56A 6 50,-3.5 50,-1.5 -2,-0.5 2,-0.4 -0.847 36.8-178.1 -86.9 118.7 45.5 3.4 -4.7 7 8 A H E -a 32 0A 7 24,-2.6 26,-3.0 -2,-0.7 3,-0.1 -0.926 37.7-164.3-135.7 136.6 43.3 6.1 -3.3 8 9 A F > - 0 0 19 -2,-0.4 3,-2.1 24,-0.2 7,-0.3 -0.933 18.0-154.3-118.7 105.1 39.7 7.2 -3.0 9 10 A P T 3 S+ 0 0 42 0, 0.0 196,-0.2 0, 0.0 -1,-0.1 0.725 90.8 61.0 -56.0 -23.6 39.6 10.9 -2.0 10 11 A V T 3 S+ 0 0 13 194,-0.1 2,-0.4 195,-0.1 195,-0.1 0.805 87.1 89.5 -69.2 -30.0 36.2 10.5 -0.4 11 12 A S <> - 0 0 22 -3,-2.1 4,-2.6 1,-0.1 5,-0.2 -0.558 66.9-149.7 -81.0 125.4 37.5 8.0 2.2 12 13 A G H > S+ 0 0 0 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.938 99.5 46.8 -51.0 -56.8 38.9 9.2 5.5 13 14 A P H > S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.896 112.4 50.9 -58.4 -39.7 41.4 6.3 5.9 14 15 A S H > S+ 0 0 0 1,-0.2 4,-1.9 -6,-0.2 -2,-0.2 0.935 111.3 48.5 -61.6 -42.6 42.5 6.7 2.3 15 16 A R H X S+ 0 0 5 -4,-2.6 4,-2.8 -7,-0.3 -1,-0.2 0.859 107.5 56.0 -65.0 -34.5 43.0 10.4 2.9 16 17 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.862 106.5 49.7 -65.2 -38.8 45.0 9.6 6.1 17 18 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.915 113.4 45.8 -65.0 -44.1 47.4 7.4 4.2 18 19 A L H X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.925 108.7 55.7 -66.7 -42.9 48.0 10.2 1.6 19 20 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.855 106.7 51.4 -55.3 -38.4 48.4 12.9 4.3 20 21 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.919 108.8 50.2 -64.9 -45.5 51.2 10.7 5.8 21 22 A A H X>S+ 0 0 1 -4,-1.8 5,-1.7 1,-0.2 4,-1.2 0.924 112.8 47.6 -57.7 -43.8 52.9 10.5 2.4 22 23 A R H <5S+ 0 0 80 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.908 111.0 52.0 -62.2 -42.5 52.6 14.3 2.1 23 24 A A H <5S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.7 41.9 -64.2 -44.5 53.9 14.8 5.6 24 25 A I H <5S- 0 0 14 -4,-2.4 56,-0.3 -5,-0.1 -1,-0.2 0.657 111.6-125.2 -80.6 -12.9 57.1 12.7 5.2 25 26 A G T <5 + 0 0 39 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.782 50.1 158.0 81.7 32.4 57.5 14.2 1.8 26 27 A I < - 0 0 36 -5,-1.7 2,-0.3 1,-0.0 -1,-0.2 -0.719 44.0-122.6 -92.3 132.5 57.7 11.2 -0.4 27 28 A P + 0 0 108 0, 0.0 2,-0.4 0, 0.0 -24,-0.3 -0.591 42.3 178.1 -67.7 130.8 56.9 11.4 -4.2 28 29 A I - 0 0 23 -2,-0.3 2,-0.3 -26,-0.1 -24,-0.2 -1.000 32.5-126.1-141.3 138.3 54.1 9.0 -4.8 29 30 A Q E -a 4 0A 94 -26,-3.1 -24,-3.1 -2,-0.4 2,-0.6 -0.660 28.2-151.9 -75.8 136.5 52.0 7.9 -7.8 30 31 A I E -a 5 0A 55 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.956 10.1-168.0-119.5 112.9 48.3 8.2 -7.0 31 32 A E E -a 6 0A 46 -26,-2.5 -24,-2.6 -2,-0.6 2,-0.3 -0.913 21.1-137.6 -98.3 113.2 45.9 6.0 -8.8 32 33 A I E -a 7 0A 94 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.562 17.8-166.9 -74.0 127.8 42.3 7.3 -8.1 33 34 A V - 0 0 8 -26,-3.0 2,-1.2 -2,-0.3 3,-0.1 -0.954 10.2-151.2-120.6 107.0 39.9 4.4 -7.4 34 35 A N > - 0 0 64 -2,-0.6 3,-1.2 1,-0.2 6,-0.2 -0.675 14.3-178.6 -81.7 96.9 36.3 5.4 -7.5 35 36 A L T 3 S+ 0 0 43 -2,-1.2 3,-0.4 1,-0.2 -1,-0.2 0.740 78.2 68.3 -68.3 -21.3 34.6 3.0 -5.1 36 37 A F T 3 S+ 0 0 89 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.739 103.7 46.0 -65.8 -23.0 31.2 4.6 -5.9 37 38 A K X + 0 0 141 -3,-1.2 3,-1.3 1,-0.1 4,-0.3 -0.656 64.6 168.6-125.4 78.5 31.5 3.0 -9.4 38 39 A K G > S+ 0 0 144 -3,-0.4 3,-1.0 -2,-0.4 -1,-0.1 0.749 75.6 58.8 -62.6 -31.1 32.6 -0.6 -9.2 39 40 A E G 3 S+ 0 0 204 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.717 104.9 52.9 -74.0 -17.8 31.9 -1.6 -12.8 40 41 A Q G < S+ 0 0 159 -3,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 0.455 82.1 129.5 -90.0 -4.9 34.4 1.2 -13.8 41 42 A L < - 0 0 22 -3,-1.0 2,-0.1 -4,-0.3 -8,-0.1 -0.245 59.2-118.9 -57.5 135.2 37.1 -0.3 -11.5 42 43 A Q >> - 0 0 111 1,-0.1 4,-2.0 4,-0.0 3,-1.1 -0.442 7.0-125.8 -83.8 151.1 40.4 -0.8 -13.3 43 44 A E H 3> S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.825 107.1 65.3 -59.3 -38.4 42.3 -4.1 -13.8 44 45 A S H 3> S+ 0 0 40 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.771 110.6 37.3 -57.5 -29.5 45.5 -2.7 -12.2 45 46 A F H <> S+ 0 0 6 -3,-1.1 4,-0.8 2,-0.1 3,-0.5 0.903 113.2 52.5 -86.7 -51.2 43.6 -2.4 -8.9 46 47 A L H < S+ 0 0 73 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.718 105.7 61.7 -59.0 -23.7 41.5 -5.6 -9.0 47 48 A K H < S+ 0 0 179 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.917 100.6 43.9 -68.5 -50.0 44.6 -7.6 -9.7 48 49 A L H < S+ 0 0 43 -4,-0.5 -1,-0.1 -3,-0.5 -2,-0.1 0.664 102.2 55.6 -85.7 -22.0 46.9 -7.1 -6.7 49 50 A N S < S- 0 0 13 -4,-0.8 15,-0.0 1,-0.1 7,-0.0 -0.930 77.8-119.0-122.2 136.0 44.7 -7.4 -3.5 50 51 A P S S- 0 0 130 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.842 97.3 -3.4 -27.2 -64.0 42.3 -10.1 -2.1 51 52 A Q S S- 0 0 132 -3,-0.0 2,-2.8 0, 0.0 -3,-0.0 -0.796 101.5 -65.6-128.5-179.8 39.4 -7.7 -2.2 52 53 A H + 0 0 79 -2,-0.2 2,-0.5 -17,-0.0 -6,-0.1 -0.317 65.7 168.8 -63.6 69.6 38.7 -4.0 -3.1 53 54 A C - 0 0 39 -2,-2.8 -47,-0.1 13,-0.0 -4,-0.0 -0.774 21.8-140.9 -92.2 124.7 40.7 -2.5 -0.2 54 55 A V S S+ 0 0 26 -2,-0.5 -40,-0.2 1,-0.1 13,-0.1 -0.998 79.7 38.9-128.2 133.6 41.4 1.2 -0.3 55 56 A P S S+ 0 0 3 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.540 76.9 168.8 -76.6 151.3 43.9 2.7 0.5 56 57 A T E -BC 6 65A 0 -50,-1.5 -50,-3.5 9,-0.2 2,-0.5 -0.999 20.3-152.1-129.5 129.7 46.4 0.2 -0.9 57 58 A L E -BC 5 64A 0 7,-3.7 7,-2.8 -2,-0.4 2,-0.6 -0.868 4.7-165.0 -98.5 132.3 50.1 0.9 -1.2 58 59 A D E +BC 4 63A 26 -54,-3.1 -54,-2.3 -2,-0.5 2,-0.9 -0.918 10.2 178.7-113.5 100.0 52.2 -0.8 -3.9 59 60 A D E > S- C 0 62A 6 3,-2.9 3,-1.8 -2,-0.6 -56,-0.1 -0.812 77.1 -43.8-101.7 88.4 55.8 -0.3 -3.0 60 61 A N T 3 S- 0 0 83 -2,-0.9 -1,-0.2 -58,-0.5 3,-0.1 0.913 122.0 -41.3 57.4 47.2 57.8 -2.2 -5.7 61 62 A N T 3 S+ 0 0 140 1,-0.3 2,-0.8 0, 0.0 -1,-0.3 0.241 110.6 120.3 77.7 -8.9 55.4 -5.1 -5.5 62 63 A F E < -C 59 0A 100 -3,-1.8 -3,-2.9 2,-0.0 2,-0.5 -0.804 54.2-157.7 -76.4 111.0 55.1 -5.2 -1.7 63 64 A V E +C 58 0A 45 -2,-0.8 2,-0.4 -5,-0.2 -5,-0.2 -0.848 16.4 175.6-101.6 125.3 51.4 -4.6 -1.5 64 65 A L E -C 57 0A 33 -7,-2.8 -7,-3.7 -2,-0.5 2,-0.2 -0.995 8.5-176.7-134.3 129.9 50.0 -3.2 1.8 65 66 A W E +C 56 0A 130 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.622 44.3 81.1-112.7-176.0 46.6 -2.1 2.9 66 67 A E > - 0 0 73 -11,-0.8 4,-2.4 -2,-0.2 3,-0.4 0.796 69.6-126.2 78.6 106.9 45.3 -0.5 6.1 67 68 A S H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.822 106.2 46.5 -51.3 -42.7 45.8 3.2 6.2 68 69 A R H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.844 110.5 52.0 -77.5 -31.8 47.7 3.3 9.5 69 70 A A H > S+ 0 0 44 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.904 111.3 50.0 -60.1 -44.6 50.0 0.4 8.7 70 71 A I H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.945 108.9 51.6 -57.0 -50.7 50.8 2.3 5.5 71 72 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.898 113.4 43.4 -55.1 -46.4 51.5 5.5 7.5 72 73 A C H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.862 114.9 50.0 -68.2 -38.5 53.9 3.7 9.8 73 74 A Y H X S+ 0 0 57 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.942 113.1 45.7 -65.9 -49.3 55.6 1.8 7.0 74 75 A L H X>S+ 0 0 2 -4,-3.2 4,-2.6 2,-0.2 5,-0.6 0.892 112.1 52.0 -58.2 -43.9 56.1 5.0 4.9 75 76 A A H X5S+ 0 0 7 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.933 116.8 37.7 -62.5 -46.7 57.4 6.9 8.0 76 77 A D H <5S+ 0 0 65 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.876 122.5 43.0 -71.8 -39.1 60.0 4.3 8.9 77 78 A K H <5S+ 0 0 111 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.910 133.6 13.4 -75.7 -41.1 61.0 3.4 5.3 78 79 A Y H <5S+ 0 0 63 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.492 87.3 125.5-119.5 -7.1 61.2 6.9 3.7 79 80 A G << - 0 0 26 -4,-1.3 -54,-0.1 -5,-0.6 -55,-0.1 -0.315 47.5-153.3 -58.7 134.4 61.2 9.4 6.6 80 81 A K S S+ 0 0 176 -56,-0.3 2,-0.2 -2,-0.0 -1,-0.1 0.564 78.2 6.1 -89.0 -11.7 64.1 11.8 6.5 81 82 A D S S- 0 0 95 -6,-0.1 4,-0.1 -57,-0.0 3,-0.1 -0.773 81.0-101.0-146.8-163.0 64.1 12.2 10.3 82 83 A D S > S+ 0 0 68 -2,-0.2 3,-1.4 1,-0.1 -3,-0.0 0.646 87.7 96.9-101.4 -26.5 62.3 10.9 13.4 83 84 A Q T 3 S+ 0 0 65 1,-0.3 -1,-0.1 2,-0.1 71,-0.1 0.770 83.2 49.0 -38.4 -50.5 59.7 13.6 14.0 84 85 A W T 3 S+ 0 0 29 1,-0.3 73,-2.5 72,-0.2 74,-0.3 0.766 133.0 8.5 -73.0 -28.8 56.7 12.0 12.3 85 86 A Y S < S- 0 0 19 -3,-1.4 -1,-0.3 71,-0.2 -2,-0.1 -0.646 87.6-141.3-151.1 84.3 57.0 8.5 13.9 86 87 A P - 0 0 6 0, 0.0 9,-0.1 0, 0.0 -3,-0.1 -0.162 5.1-145.3 -59.7 141.7 59.6 8.6 16.7 87 88 A K S S+ 0 0 123 4,-0.1 -4,-0.0 5,-0.1 5,-0.0 0.768 70.4 106.3 -77.7 -27.1 61.9 5.6 17.1 88 89 A D S > S- 0 0 82 1,-0.1 4,-3.1 4,-0.1 5,-0.2 -0.327 75.8-132.8 -51.0 130.3 62.0 6.0 20.9 89 90 A L H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.822 101.2 45.4 -66.2 -36.3 59.7 3.1 22.1 90 91 A Q H > S+ 0 0 162 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 116.2 45.2 -73.9 -43.3 57.6 5.1 24.6 91 92 A K H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.900 115.0 49.8 -62.8 -41.9 57.1 8.0 22.2 92 93 A R H X S+ 0 0 36 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.905 106.7 56.0 -61.3 -42.1 56.3 5.5 19.4 93 94 A A H X S+ 0 0 52 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.876 105.9 51.0 -59.6 -37.8 53.8 3.7 21.8 94 95 A V H X S+ 0 0 51 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.918 111.3 46.6 -67.6 -43.2 52.0 7.0 22.3 95 96 A V H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.933 113.9 48.7 -62.1 -44.8 51.7 7.5 18.5 96 97 A N H X S+ 0 0 45 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.921 109.3 54.5 -59.2 -42.6 50.6 3.9 18.0 97 98 A Q H X S+ 0 0 107 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.922 109.2 45.4 -56.6 -50.4 48.1 4.4 20.8 98 99 A R H X S+ 0 0 25 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.857 111.8 53.9 -64.6 -35.1 46.5 7.4 19.1 99 100 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.929 109.9 46.0 -63.1 -45.8 46.5 5.5 15.8 100 101 A Y H X S+ 0 0 163 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.877 110.0 54.9 -66.4 -35.0 44.6 2.6 17.4 101 102 A F H X>S+ 0 0 24 -4,-2.4 5,-2.2 -5,-0.2 4,-1.9 0.922 109.1 48.2 -58.1 -44.9 42.3 5.2 19.0 102 103 A D H <>S+ 0 0 2 -4,-2.4 5,-2.8 3,-0.2 6,-0.5 0.935 118.9 39.5 -57.5 -46.9 41.6 6.5 15.5 103 104 A S H <5S+ 0 0 36 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.824 124.6 34.2 -77.2 -35.5 41.0 3.0 14.1 104 105 A A H <5S+ 0 0 65 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.652 135.0 9.9 -96.9 -22.0 39.0 1.5 17.0 105 106 A S T X5S+ 0 0 36 -4,-1.9 4,-1.5 -5,-0.3 -3,-0.2 0.692 122.6 43.7-123.4 -55.8 37.0 4.5 18.4 106 107 A L H > S+ 0 0 74 -6,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.886 108.2 43.0 -54.9 -43.5 34.5 3.5 13.7 109 110 A K H X S+ 0 0 32 -4,-1.5 4,-1.0 -3,-0.4 -2,-0.2 0.793 112.6 51.6 -80.7 -29.9 31.9 5.9 15.3 110 111 A I H >X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 3,-0.5 0.939 112.5 47.6 -63.9 -48.3 32.0 8.3 12.3 111 112 A R H 3X S+ 0 0 129 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.877 103.4 60.8 -60.9 -40.4 31.4 5.4 10.1 112 113 A A H 3< S+ 0 0 40 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 114.9 37.0 -55.9 -34.0 28.5 4.1 12.3 113 114 A I H S+ 0 0 65 -4,-2.5 4,-2.4 1,-0.2 5,-0.6 0.900 105.9 45.6 -60.2 -45.8 27.8 4.5 6.2 116 117 A P H >5S+ 0 0 31 0, 0.0 6,-2.5 0, 0.0 4,-1.0 0.825 114.0 50.9 -69.0 -26.9 24.1 3.7 6.8 117 118 A I H <5S+ 0 0 2 -4,-0.7 4,-0.2 4,-0.2 -2,-0.2 0.864 115.6 41.5 -72.5 -40.2 23.2 7.2 5.6 118 119 A L H <5S+ 0 0 31 -4,-2.4 -3,-0.2 1,-0.1 -1,-0.1 0.888 137.5 6.3 -71.9 -40.7 25.2 6.9 2.4 119 120 A F H <5S+ 0 0 109 -4,-2.4 -2,-0.2 -5,-0.2 -4,-0.1 0.648 121.2 55.2-122.9 -24.6 24.3 3.3 1.5 120 121 A L S < - 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