==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAR-12 4E8H . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOMBYX MORI; . AUTHOR X.TAN,X.X.MA,X.M.HU,Q.M.CHEN,P.ZHAO,Q.Y.XIA,C.Z.ZHOU . 862 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 615 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.1 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 . 8 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 . 41 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 4.9 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 0 0 4 0 0 0 0 0 8 7 4 5 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 . 4 0 4 4 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 4 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 0 A H 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.7 -25.4 21.8 13.6 2 1 A M - 0 0 95 28,-0.0 2,-0.0 0, 0.0 28,-0.0 -0.958 360.0 -95.8-137.4 150.2 -27.9 21.8 10.7 3 2 A P - 0 0 34 0, 0.0 4,-0.1 0, 0.0 61,-0.0 -0.356 20.4-133.9 -68.7 148.5 -26.9 22.3 7.1 4 3 A V S S+ 0 0 118 2,-0.1 59,-0.0 1,-0.1 3,-0.0 0.719 92.5 14.7 -70.8 -24.6 -27.1 25.9 5.6 5 4 A Q S S- 0 0 69 3,-0.0 59,-0.1 0, 0.0 -1,-0.1 -0.940 105.8 -71.7-142.1 161.7 -28.8 24.4 2.5 6 5 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 58,-0.3 -0.320 55.3-112.8 -55.3 135.0 -30.4 21.0 1.7 7 6 A I - 0 0 3 24,-0.4 26,-2.9 56,-0.1 2,-0.3 -0.584 32.9-132.0 -71.6 129.1 -27.7 18.3 1.3 8 7 A K E -aB 33 62A 40 54,-2.4 54,-2.1 -2,-0.3 2,-0.5 -0.662 20.0-168.4 -86.0 137.3 -27.5 17.2 -2.3 9 8 A L E -aB 34 61A 1 24,-2.2 26,-2.9 -2,-0.3 2,-0.6 -0.936 12.4-153.1-128.0 110.2 -27.5 13.5 -3.2 10 9 A Y E +aB 35 60A 47 50,-3.0 50,-1.5 -2,-0.5 2,-0.2 -0.736 49.2 133.3 -78.1 118.3 -26.7 12.5 -6.7 11 10 A Y E -a 36 0A 28 24,-2.3 26,-2.8 -2,-0.6 -2,-0.0 -0.847 54.8-126.6-153.5 173.0 -28.6 9.2 -6.9 12 11 A L > - 0 0 33 -2,-0.2 3,-0.9 24,-0.2 6,-0.2 -0.975 30.4-124.2-136.7 140.9 -30.9 6.7 -8.5 13 12 A P T 3 S+ 0 0 43 0, 0.0 194,-0.1 0, 0.0 -1,-0.1 0.836 108.1 43.1 -50.4 -42.0 -34.0 5.2 -6.7 14 13 A P T 3 S+ 0 0 35 0, 0.0 197,-0.1 0, 0.0 5,-0.0 0.702 83.4 116.4 -82.8 -13.7 -33.0 1.5 -7.2 15 14 A S <> - 0 0 19 -3,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.316 58.3-147.9 -58.6 118.8 -29.3 1.9 -6.3 16 15 A P H > S+ 0 0 15 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.888 97.3 46.7 -57.4 -44.6 -28.5 -0.1 -3.1 17 16 A P H > S+ 0 0 28 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.859 112.5 52.1 -68.2 -30.3 -25.8 2.3 -1.8 18 17 A C H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.918 107.1 52.5 -63.3 -45.0 -28.1 5.3 -2.5 19 18 A R H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.820 105.6 55.0 -62.0 -33.5 -31.0 3.6 -0.6 20 19 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.934 110.9 43.8 -65.2 -48.2 -28.7 3.1 2.5 21 20 A V H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.914 112.0 54.6 -59.4 -46.2 -27.8 6.8 2.6 22 21 A M H X S+ 0 0 20 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.872 110.0 44.4 -61.3 -42.4 -31.4 7.9 2.1 23 22 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.869 111.5 54.2 -70.1 -37.0 -32.8 5.9 5.0 24 23 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.925 108.1 50.1 -59.8 -45.4 -29.9 7.1 7.2 25 24 A A H <>S+ 0 0 1 -4,-2.7 5,-3.0 1,-0.2 4,-0.4 0.859 108.4 53.1 -61.1 -38.3 -30.8 10.7 6.4 26 25 A R H ><5S+ 0 0 78 -4,-1.6 3,-0.8 3,-0.2 -1,-0.2 0.902 107.9 49.2 -64.6 -43.8 -34.5 10.0 7.2 27 26 A V H 3<5S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.875 112.7 48.4 -62.1 -37.6 -33.6 8.6 10.7 28 27 A L T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.582 113.4-126.2 -74.5 -10.3 -31.4 11.7 11.2 29 28 A E T < 5 + 0 0 127 -3,-0.8 2,-0.5 -4,-0.4 -3,-0.2 0.826 59.4 147.2 59.8 36.8 -34.5 13.7 10.0 30 29 A L < - 0 0 9 -5,-3.0 2,-0.8 -6,-0.1 -1,-0.3 -0.868 44.6-139.2 -95.8 132.0 -32.3 15.5 7.4 31 30 A D - 0 0 143 -2,-0.5 -24,-0.4 -3,-0.1 2,-0.2 -0.842 20.9-153.5 -97.7 108.5 -34.2 16.4 4.2 32 31 A L - 0 0 23 -2,-0.8 2,-1.0 -26,-0.2 -24,-0.2 -0.538 16.3-130.2 -81.4 141.9 -32.0 15.6 1.2 33 32 A H E -a 8 0A 95 -26,-2.9 -24,-2.2 -2,-0.2 2,-0.4 -0.821 33.0-149.6 -86.7 99.7 -32.2 17.4 -2.2 34 33 A L E -a 9 0A 68 -2,-1.0 2,-0.6 -26,-0.2 -24,-0.2 -0.594 12.0-165.3 -78.8 125.9 -32.3 14.3 -4.4 35 34 A I E -a 10 0A 43 -26,-2.9 -24,-2.3 -2,-0.4 2,-0.3 -0.945 20.0-130.4-116.0 112.0 -30.8 14.8 -7.8 36 35 A T E -a 11 0A 94 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.424 25.0-173.2 -62.7 119.3 -31.6 12.0 -10.4 37 36 A T - 0 0 5 -26,-2.8 2,-1.1 -2,-0.3 7,-0.1 -0.865 11.2-154.6-122.0 92.9 -28.3 11.0 -12.0 38 37 A N > > - 0 0 60 -2,-0.6 5,-2.2 1,-0.2 3,-1.2 -0.568 11.9-176.1 -74.9 99.3 -28.9 8.6 -14.8 39 38 A I G > 5S+ 0 0 59 -2,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.645 84.1 60.5 -70.2 -15.0 -25.7 6.5 -15.1 40 39 A M G 3 5S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.627 105.3 47.7 -83.1 -17.8 -27.3 4.8 -18.2 41 40 A N G < 5S- 0 0 112 -3,-1.2 -1,-0.2 0, 0.0 -2,-0.2 0.068 119.2-110.0-108.9 18.8 -27.5 8.2 -20.0 42 41 A G T X 5S+ 0 0 32 -3,-0.5 3,-1.9 1,-0.1 -3,-0.2 0.636 73.3 140.3 63.2 19.2 -23.9 9.1 -19.1 43 42 A E T 3 S- 0 0 53 -3,-0.3 4,-2.4 -4,-0.2 5,-0.2 -0.378 80.5-107.0 -71.2 156.0 -19.9 14.9 -17.9 47 46 A P H > S+ 0 0 100 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.828 121.9 54.1 -49.5 -33.9 -16.9 17.2 -17.3 48 47 A E H > S+ 0 0 141 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.907 108.9 43.9 -71.0 -45.4 -18.9 18.6 -14.3 49 48 A Y H > S+ 0 0 12 1,-0.2 4,-3.6 2,-0.2 7,-0.2 0.912 112.3 53.7 -65.5 -42.7 -19.5 15.3 -12.5 50 49 A L H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 106.2 52.5 -63.1 -33.8 -15.9 14.1 -13.1 51 50 A K H < S+ 0 0 186 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.861 115.4 41.6 -67.1 -37.8 -14.6 17.3 -11.4 52 51 A M H < S+ 0 0 34 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.928 138.9 7.1 -72.7 -48.1 -16.9 16.7 -8.4 53 52 A N >< - 0 0 0 -4,-3.6 3,-1.7 -5,-0.1 -1,-0.3 -0.882 60.5-171.3-141.5 100.7 -16.1 12.9 -8.3 54 53 A P T 3 S+ 0 0 30 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.652 89.2 64.0 -72.0 -12.7 -13.4 11.5 -10.6 55 54 A Q T 3 S- 0 0 7 2,-0.1 -5,-0.1 303,-0.1 303,-0.0 0.496 100.1-142.4 -82.4 -4.8 -14.5 8.0 -9.7 56 55 A H < + 0 0 42 -3,-1.7 2,-0.3 -7,-0.2 -12,-0.1 0.868 45.7 142.7 43.0 57.5 -17.9 8.8 -11.3 57 56 A T - 0 0 43 2,-0.1 -1,-0.2 -4,-0.0 -47,-0.1 -0.813 44.0-102.6-118.5 160.2 -20.1 6.9 -8.9 58 57 A I S S+ 0 0 21 -2,-0.3 -47,-0.2 1,-0.1 -40,-0.1 -0.959 91.9 52.7-116.1 145.4 -23.5 7.3 -7.2 59 58 A P + 0 0 4 0, 0.0 11,-0.6 0, 0.0 2,-0.4 0.487 68.8 166.8 -75.8 142.7 -24.3 8.2 -4.5 60 59 A T E -BC 10 69A 0 -50,-1.5 -50,-3.0 9,-0.2 2,-0.3 -0.997 20.2-152.1-119.1 132.1 -22.3 11.4 -4.4 61 60 A M E -BC 9 68A 1 7,-3.8 7,-2.2 -2,-0.4 2,-0.4 -0.813 10.8-168.7-103.2 142.7 -23.1 13.9 -1.6 62 61 A D E -BC 8 67A 23 -54,-2.1 -54,-2.4 -2,-0.3 2,-0.8 -0.908 6.2-179.8-130.6 104.9 -22.6 17.7 -1.8 63 62 A D E > S- C 0 66A 0 3,-2.7 3,-2.0 -2,-0.4 -56,-0.1 -0.858 77.2 -41.3-107.1 96.7 -23.0 19.4 1.6 64 63 A N T 3 S- 0 0 73 -2,-0.8 -1,-0.2 -58,-0.3 3,-0.1 0.895 125.1 -39.8 50.4 45.3 -22.5 23.1 1.1 65 64 A G T 3 S+ 0 0 57 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.219 111.0 121.7 91.8 -15.9 -19.6 22.5 -1.3 66 65 A F E < -C 63 0A 24 -3,-2.0 -3,-2.7 2,-0.0 2,-0.4 -0.758 52.3-151.2 -83.1 116.7 -18.1 19.6 0.6 67 66 A I E +C 62 0A 47 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.719 21.3 167.4 -96.3 134.8 -18.0 16.6 -1.7 68 67 A L E +C 61 0A 3 -7,-2.2 -7,-3.8 -2,-0.4 2,-0.2 -0.993 8.2 176.5-146.5 137.8 -18.2 13.0 -0.5 69 68 A W E +C 60 0A 19 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.748 43.8 82.6-129.0-174.8 -18.8 9.6 -2.0 70 69 A E S >> S- 0 0 26 -11,-0.6 4,-2.2 -2,-0.2 3,-0.8 0.774 70.7-127.4 72.0 106.1 -18.8 6.0 -0.7 71 70 A S H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.823 106.8 50.4 -52.9 -41.4 -22.2 5.3 0.8 72 71 A R H 3> S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.801 109.6 51.2 -72.4 -28.9 -20.9 4.1 4.1 73 72 A A H <> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.874 111.0 49.2 -70.0 -40.0 -18.6 7.2 4.5 74 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.914 108.8 53.1 -62.5 -46.4 -21.6 9.4 3.8 75 74 A Q H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.937 112.8 42.5 -53.5 -53.1 -23.7 7.5 6.4 76 75 A T H X S+ 0 0 4 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.861 113.3 53.5 -68.2 -35.7 -21.1 8.0 9.1 77 76 A Y H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.942 105.6 52.8 -61.5 -49.2 -20.5 11.6 8.1 78 77 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.865 114.7 42.6 -55.9 -38.9 -24.2 12.5 8.3 79 78 A V H X S+ 0 0 5 -4,-1.6 4,-2.0 3,-0.2 -2,-0.2 0.939 114.7 48.8 -72.1 -49.3 -24.3 11.1 11.9 80 79 A N H < S+ 0 0 27 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.865 124.0 32.2 -56.8 -39.5 -20.9 12.6 13.0 81 80 A A H < S+ 0 0 26 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.866 135.5 17.9 -87.1 -39.0 -21.9 16.1 11.7 82 81 A Y H < S+ 0 0 19 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.355 81.9 124.1-126.5 3.0 -25.7 16.2 12.1 83 82 A G < - 0 0 14 -4,-2.0 3,-0.1 -5,-0.2 -55,-0.1 -0.444 56.8-139.6 -66.4 139.1 -26.9 13.6 14.7 84 83 A K S S- 0 0 152 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.845 91.9 -8.2 -69.0 -35.9 -28.8 14.9 17.6 85 84 A D S S- 0 0 100 -6,-0.0 3,-0.3 -3,-0.0 4,-0.1 -0.809 84.5 -98.7-137.4-171.4 -26.8 12.5 19.7 86 85 A D S > S+ 0 0 53 -2,-0.3 3,-1.1 1,-0.2 -6,-0.1 0.137 77.9 121.3 -97.7 21.6 -24.4 9.7 18.6 87 86 A S T 3 S+ 0 0 53 1,-0.3 -1,-0.2 2,-0.2 69,-0.1 0.846 76.0 47.2 -54.2 -43.8 -27.0 6.8 19.0 88 87 A L T 3 S+ 0 0 18 -3,-0.3 71,-1.9 1,-0.3 72,-0.3 0.735 134.1 14.3 -69.9 -23.6 -26.6 5.6 15.3 89 88 A Y S < S- 0 0 1 -3,-1.1 -1,-0.3 69,-0.2 -2,-0.2 -0.528 86.1-149.2-155.4 76.3 -22.8 5.8 15.5 90 89 A P - 0 0 10 0, 0.0 9,-0.1 0, 0.0 -3,-0.1 -0.125 11.3-142.3 -60.1 145.0 -21.4 6.0 19.1 91 90 A K + 0 0 120 4,-0.1 -4,-0.0 5,-0.1 -11,-0.0 0.685 68.5 113.9 -79.9 -21.4 -18.2 7.8 19.7 92 91 A N S > S- 0 0 34 1,-0.1 4,-3.1 2,-0.1 5,-0.3 -0.359 72.6-132.7 -50.4 121.0 -17.2 5.2 22.4 93 92 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.837 99.7 42.7 -54.4 -44.2 -14.1 3.6 20.7 94 93 A R H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.908 116.3 47.1 -72.2 -42.9 -15.1 -0.0 21.3 95 94 A Q H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 115.4 47.6 -61.0 -43.6 -18.8 0.4 20.4 96 95 A R H X S+ 0 0 9 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.891 106.9 57.2 -64.0 -41.7 -17.7 2.3 17.3 97 96 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.877 104.3 51.1 -58.5 -42.7 -15.1 -0.3 16.3 98 97 A I H X S+ 0 0 17 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.932 111.8 48.1 -61.1 -45.4 -17.7 -3.1 16.3 99 98 A I H X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.929 109.9 52.3 -58.3 -47.3 -19.9 -0.9 14.0 100 99 A D H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.861 108.7 50.0 -60.1 -38.6 -16.8 -0.2 11.7 101 100 A Q H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.893 110.0 50.8 -66.2 -39.5 -16.1 -3.9 11.4 102 101 A R H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.869 110.7 49.3 -63.7 -37.3 -19.7 -4.6 10.4 103 102 A L H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.881 112.3 46.8 -67.8 -41.7 -19.5 -1.8 7.8 104 103 A N H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.867 111.9 52.0 -64.6 -39.3 -16.3 -3.3 6.4 105 104 A F H X>S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-1.8 0.923 109.4 50.7 -59.0 -46.4 -18.1 -6.7 6.5 106 105 A D H <>S+ 0 0 0 -4,-2.4 5,-3.0 3,-0.2 6,-0.5 0.945 119.1 34.6 -58.9 -51.4 -20.9 -5.1 4.5 107 106 A L H <>S+ 0 0 20 -4,-2.3 5,-0.6 1,-0.2 -2,-0.2 0.959 126.4 36.0 -69.4 -53.7 -18.7 -3.6 1.8 108 107 A G H <5S+ 0 0 21 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.684 134.2 11.0 -79.2 -21.3 -16.0 -6.2 1.5 109 108 A T T X5S+ 0 0 13 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.718 125.2 35.6-121.2 -71.5 -18.0 -9.4 2.1 110 109 A L H >S+ 0 0 63 -4,-2.1 4,-1.4 -5,-0.2 5,-0.5 0.940 99.4 43.3 -60.4 -48.7 -25.5 -9.4 -11.3 120 119 A P H 45S+ 0 0 29 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.803 118.4 47.6 -66.3 -25.5 -25.6 -12.2 -13.9 121 120 A I H 45S+ 0 0 28 -4,-0.4 -2,-0.2 2,-0.2 -3,-0.1 0.954 111.3 44.5 -82.0 -55.1 -29.2 -13.1 -12.9 122 121 A L H <5S+ 0 0 11 -4,-2.7 -3,-0.1 2,-0.1 -1,-0.1 0.815 131.0 23.9 -57.3 -32.5 -30.9 -9.7 -12.8 123 122 A F T <5 0 0 120 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.1 0.912 360.0 360.0-103.2 -65.7 -29.2 -8.8 -16.1 124 123 A R < 0 0 224 -5,-0.5 -1,-0.1 -4,-0.5 -2,-0.1 -0.432 360.0 360.0 -96.7 360.0 -28.1 -11.6 -18.4 125 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 126 126 A A 0 0 108 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 172.8 -27.9 -18.4 -13.9 127 127 A Y - 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0 0 20 -3,-1.2 4,-2.3 1,-0.1 5,-0.2 -0.359 60.5-145.4 -60.4 118.2 -0.5 -10.7 4.9 232 15 B P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.906 97.7 46.7 -52.7 -50.2 -1.4 -7.3 3.5 233 16 B P H > S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.889 111.8 51.9 -61.9 -37.6 -4.1 -6.5 6.1 234 17 B C H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.911 108.3 52.5 -59.5 -42.7 -1.9 -7.6 8.9 235 18 B R H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.845 105.8 52.9 -64.2 -37.6 0.9 -5.3 7.7 236 19 B A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.906 112.4 45.8 -62.7 -43.1 -1.4 -2.3 7.6 237 20 B V H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.930 110.7 52.8 -64.1 -46.7 -2.3 -2.9 11.3 238 21 B M H X S+ 0 0 23 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.864 111.3 45.4 -61.5 -40.7 1.3 -3.5 12.3 239 22 B M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.840 110.6 54.2 -71.1 -34.9 2.6 -0.3 10.9 240 23 B T H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.920 108.4 49.8 -62.9 -43.6 -0.4 1.6 12.4 241 24 B A H <>S+ 0 0 2 -4,-2.4 5,-3.1 1,-0.2 4,-0.2 0.844 109.3 51.9 -63.0 -37.1 0.5 0.3 15.8 242 25 B R H ><5S+ 0 0 87 -4,-1.4 3,-1.2 3,-0.2 -2,-0.2 0.929 107.9 50.4 -65.2 -46.2 4.2 1.3 15.4 243 26 B V H 3<5S+ 0 0 25 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.839 113.9 45.9 -60.6 -34.2 3.2 4.9 14.5 244 27 B L T 3<5S- 0 0 14 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.464 114.8-123.0 -85.9 -4.5 1.0 5.0 17.6 245 28 B E T < 5 + 0 0 130 -3,-1.2 2,-0.5 -4,-0.2 -3,-0.2 0.872 60.1 146.0 62.3 42.9 3.9 3.4 19.6 246 29 B L < - 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