==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-AUG-97 3FYG . COMPND 2 MOLECULE: MU CLASS TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR G.XIAO,J.F.PARSONS,R.N.ARMSTRONG,G.L.GILLILAND . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.9 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 . 4 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 0 1 1 2 3 0 1 5 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 3 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 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 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 P 0 0 119 0, 0.0 64,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-154.7 50.2 23.2 9.2 2 2 A M E -a 27 0A 4 24,-1.7 26,-2.9 62,-0.1 2,-0.4 -0.593 360.0-152.0 -83.6 149.3 46.6 22.8 10.0 3 3 A I E -aB 28 63A 44 60,-2.4 60,-3.6 24,-0.2 2,-0.5 -0.962 3.1-157.8-123.0 135.9 44.6 25.7 11.5 4 4 A L E -aB 29 62A 2 24,-2.2 26,-2.4 -2,-0.4 2,-0.5 -0.972 4.7-159.3-119.8 123.4 41.5 25.4 13.7 5 5 A G E +aB 30 61A 0 56,-3.1 56,-1.7 -2,-0.5 2,-0.3 -0.907 28.6 133.7-108.0 127.1 39.0 28.1 14.1 6 6 A X E -a 31 0A 25 24,-1.4 26,-2.5 -2,-0.5 2,-0.3 -0.932 52.6 -85.4-156.4 173.9 36.6 28.3 17.1 7 7 A W E -a 32 0A 20 -2,-0.3 26,-0.2 24,-0.2 6,-0.1 -0.745 53.4 -99.1 -89.9 136.5 35.0 30.4 19.9 8 8 A N S S+ 0 0 62 24,-1.9 25,-0.1 -2,-0.3 -1,-0.1 0.480 101.0 93.5 -29.8 -15.5 36.9 30.8 23.2 9 9 A V S S- 0 0 14 1,-0.1 198,-0.2 198,-0.1 199,-0.1 -0.055 78.8-130.3 -75.7 177.3 34.5 28.0 24.4 10 10 A R >> + 0 0 0 196,-1.6 3,-1.2 197,-0.1 4,-1.2 0.814 68.2 114.6 -95.0 -54.9 34.9 24.2 24.6 11 11 A G G >4 S- 0 0 4 196,-0.7 3,-1.5 195,-0.6 197,-0.1 0.337 90.3 -3.5 19.1-130.2 31.6 23.3 22.9 12 12 A L G 34 S+ 0 0 43 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.620 128.8 67.4 -57.3 -20.7 31.8 21.5 19.6 13 13 A T G <> S+ 0 0 0 -3,-1.2 4,-2.7 1,-0.2 5,-0.3 0.631 77.5 81.8 -77.8 -23.5 35.7 21.8 19.6 14 14 A H H S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.832 114.8 54.2 -61.5 -29.4 36.0 16.3 20.5 16 16 A I H > S+ 0 0 0 -4,-0.4 4,-3.0 2,-0.2 3,-0.4 0.967 106.6 45.7 -70.2 -57.4 38.2 17.9 17.8 17 17 A R H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.855 112.4 55.8 -54.9 -36.1 41.1 19.0 20.0 18 18 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.857 111.7 40.3 -67.7 -35.5 41.0 15.6 21.5 19 19 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.807 111.0 58.6 -77.9 -39.0 41.3 13.8 18.2 20 20 A L H <>S+ 0 0 0 -4,-3.0 5,-3.4 1,-0.2 -2,-0.2 0.894 112.8 40.4 -58.3 -43.6 43.8 16.4 17.0 21 21 A E H ><5S+ 0 0 26 -4,-2.1 3,-3.4 -5,-0.3 -2,-0.2 0.973 110.3 57.2 -70.4 -49.8 46.0 15.5 19.9 22 22 A X H 3<5S+ 0 0 58 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.809 111.3 43.3 -48.0 -40.4 45.4 11.8 19.8 23 23 A T T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.248 115.1-117.3 -92.5 9.6 46.6 11.6 16.3 24 24 A D T < 5 - 0 0 106 -3,-3.4 -3,-0.2 1,-0.2 -2,-0.1 0.907 48.7-178.0 55.4 39.9 49.5 13.9 17.0 25 25 A S < - 0 0 12 -5,-3.4 2,-0.9 -6,-0.2 -1,-0.2 -0.406 24.1-135.6 -72.3 144.0 48.2 16.5 14.6 26 26 A S + 0 0 92 -2,-0.1 -24,-1.7 -3,-0.1 2,-0.4 -0.832 45.1 144.4-100.9 112.3 50.2 19.6 14.1 27 27 A X E -a 2 0A 39 -2,-0.9 -24,-0.2 -26,-0.2 2,-0.2 -0.996 39.3-141.6-151.1 158.1 48.0 22.5 14.2 28 28 A E E -a 3 0A 126 -26,-2.9 -24,-2.2 -2,-0.4 2,-0.3 -0.660 24.3-126.4-107.4 161.3 47.6 26.1 15.2 29 29 A E E -a 4 0A 58 -2,-0.2 2,-0.4 -26,-0.2 -24,-0.2 -0.874 12.7-165.5-117.2 150.6 44.5 27.8 16.6 30 30 A K E -a 5 0A 72 -26,-2.4 -24,-1.4 -2,-0.3 2,-0.4 -0.904 23.6-168.0-130.6 87.2 42.5 30.9 15.5 31 31 A R E -a 6 0A 127 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.739 3.3-153.4 -90.2 137.0 40.4 31.7 18.5 32 32 A X E -a 7 0A 2 -26,-2.5 -24,-1.9 -2,-0.4 2,-0.4 -0.826 13.1-119.6-111.8 147.1 37.6 34.2 18.2 33 33 A A - 0 0 37 -2,-0.3 2,-0.7 -26,-0.2 12,-0.4 -0.690 10.6-149.8 -92.5 134.7 36.0 36.4 20.8 34 34 A M - 0 0 9 -2,-0.4 8,-0.2 8,-0.1 7,-0.2 -0.909 28.1-126.3-105.3 102.5 32.4 36.3 21.7 35 35 A G - 0 0 13 6,-5.5 2,-0.2 -2,-0.7 175,-0.1 0.186 33.7-106.3 -40.7 159.9 31.3 39.8 22.8 36 36 A D > - 0 0 95 4,-0.2 4,-0.9 1,-0.1 5,-0.2 -0.637 52.6 -24.2-108.6 168.8 29.6 40.0 26.2 37 37 A A T 4 S+ 0 0 53 2,-0.3 2,-0.2 -2,-0.2 -1,-0.1 -0.181 129.6 2.2 -47.0 113.2 26.2 40.5 27.8 38 38 A P T 4 S+ 0 0 92 0, 0.0 2,-1.7 0, 0.0 173,-0.1 -0.114 134.9 48.6 -75.1 -86.1 24.5 41.9 26.2 39 39 A D T 4 - 0 0 134 -2,-0.2 -2,-0.3 1,-0.2 3,-0.2 0.035 63.3-166.8 34.7 -69.0 26.4 42.4 22.9 40 40 A X < - 0 0 103 -2,-1.7 -1,-0.2 -4,-0.9 -4,-0.2 0.942 29.4-161.3 49.1 42.9 27.6 38.9 22.6 41 41 A D + 0 0 76 -5,-0.2 -6,-5.5 -7,-0.2 -1,-0.2 -0.338 33.6 169.3 -59.4 121.3 29.8 40.6 20.0 42 42 A R > + 0 0 109 -8,-0.2 4,-2.8 -2,-0.2 5,-0.4 0.159 24.8 139.5-126.9 24.1 31.5 38.5 17.3 43 43 A S H > S+ 0 0 42 1,-0.2 4,-4.9 2,-0.2 5,-0.4 0.843 71.2 50.5 -29.0 -82.3 32.8 41.2 15.0 44 44 A Q H >>S+ 0 0 63 2,-0.3 4,-2.9 1,-0.3 5,-0.6 0.839 112.7 46.4 -25.2 -69.9 36.1 39.6 14.2 45 45 A W H >>5S+ 0 0 9 -12,-0.4 4,-4.7 1,-0.3 3,-0.7 0.939 121.3 40.1 -41.2 -57.2 34.4 36.4 13.4 46 46 A L H 3<5S+ 0 0 81 -4,-2.8 4,-0.5 1,-0.3 -2,-0.3 0.861 108.3 60.7 -62.0 -36.5 32.0 38.4 11.3 47 47 A N H 3<5S+ 0 0 111 -4,-4.9 -1,-0.3 -5,-0.4 -2,-0.2 0.874 126.5 16.4 -62.9 -29.9 34.6 40.7 10.0 48 48 A E H XX5S+ 0 0 56 -4,-2.9 3,-4.7 -3,-0.7 4,-0.6 0.659 90.6 105.7-113.6 -17.7 36.4 37.7 8.4 49 49 A K T 3< - C 0 67A 33 3,-3.0 3,-1.8 -2,-0.6 2,-0.5 -0.768 63.2 -72.4-131.7 81.6 44.6 21.6 6.2 65 65 A G T 3 S- 0 0 55 -64,-0.4 -62,-0.0 -2,-0.3 -1,-0.0 -0.571 122.5 -0.5 74.0-115.1 46.3 22.9 3.2 66 66 A S T 3 S+ 0 0 103 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.708 119.0 101.7 -72.1 -25.8 43.9 22.9 0.3 67 67 A R E < +C 64 0A 82 -3,-1.8 -3,-3.0 2,-0.0 2,-0.5 -0.531 44.2 173.3 -73.3 112.8 41.4 21.5 2.8 68 68 A K E -C 63 0A 79 -2,-0.4 2,-0.5 -5,-0.2 -13,-0.4 -0.932 11.1-176.0-127.9 105.7 38.8 23.7 4.4 69 69 A I E +C 62 0A 0 -7,-2.0 -7,-2.1 -2,-0.5 2,-0.2 -0.950 8.4 177.8-114.1 121.1 36.2 21.9 6.5 70 70 A T + 0 0 0 -2,-0.5 -9,-0.1 -9,-0.2 4,-0.1 -0.503 52.1 63.9-105.9 167.8 33.2 23.3 8.2 71 71 A Q S >> S- 0 0 12 -11,-0.5 4,-2.4 -2,-0.2 3,-0.6 0.806 79.0-121.8 73.2 111.2 30.6 21.3 10.2 72 72 A S H 3> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.804 110.0 52.1 -48.8 -36.0 32.2 19.7 13.3 73 73 A N H 3> S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 108.7 49.2 -74.9 -33.2 31.2 16.1 12.2 74 74 A A H <> S+ 0 0 1 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.916 111.0 51.2 -65.9 -44.7 32.8 16.5 8.9 75 75 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 110.5 49.5 -56.3 -46.5 35.8 17.8 10.6 76 76 A M H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.881 112.7 46.8 -58.3 -44.3 35.7 14.8 12.8 77 77 A R H X S+ 0 0 17 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.816 107.5 54.3 -71.0 -36.3 35.4 12.5 9.8 78 78 A X H X S+ 0 0 11 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.970 112.0 45.6 -64.8 -49.1 38.1 14.0 7.8 79 79 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.855 112.4 53.4 -58.3 -38.7 40.5 13.5 10.8 80 80 A A H <>S+ 0 0 0 -4,-1.8 5,-3.2 2,-0.2 6,-0.4 0.946 109.0 46.0 -61.3 -52.6 39.1 9.9 11.2 81 81 A R H ><5S+ 0 0 47 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.950 109.6 57.1 -55.2 -50.7 39.8 8.9 7.6 82 82 A K H 3<5S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.815 120.4 28.0 -49.9 -37.6 43.3 10.4 7.7 83 83 A H T 3<5S- 0 0 60 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.149 112.9-109.7-116.7 19.9 44.3 8.3 10.7 84 84 A H T < 5S+ 0 0 148 -3,-1.8 -3,-0.2 -4,-0.2 -4,-0.1 0.943 70.6 141.1 52.6 56.1 42.1 5.3 10.1 85 85 A L < + 0 0 19 -5,-3.2 69,-2.3 -8,-0.2 70,-0.3 0.000 39.4 103.1-116.1 27.1 39.8 6.0 13.0 86 86 A C S S- 0 0 29 -6,-0.4 7,-0.1 67,-0.2 6,-0.0 -0.605 86.1 -82.4-100.2 166.8 36.6 5.0 11.1 87 87 A G - 0 0 3 -2,-0.2 -1,-0.1 5,-0.2 6,-0.1 -0.311 37.3-161.0 -64.1 147.2 34.6 1.8 11.5 88 88 A E + 0 0 120 -3,-0.1 2,-0.2 -4,-0.0 -1,-0.1 0.814 67.5 51.7-103.2 -30.7 36.1 -0.9 9.3 89 89 A T S > S- 0 0 78 1,-0.1 4,-1.7 0, 0.0 5,-0.2 -0.556 92.1-108.6 -97.1 164.7 33.3 -3.4 8.9 90 90 A E H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 122.8 51.9 -59.0 -42.6 29.8 -2.6 7.7 91 91 A E H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.865 105.9 52.5 -60.2 -40.5 28.7 -3.3 11.3 92 92 A E H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 109.0 51.7 -66.2 -33.4 31.3 -0.9 12.7 93 93 A R H X S+ 0 0 84 -4,-1.7 4,-4.2 2,-0.2 5,-0.3 0.940 106.5 51.1 -69.1 -45.6 30.1 1.8 10.4 94 94 A I H X S+ 0 0 16 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.969 111.7 47.9 -55.5 -52.5 26.4 1.6 11.2 95 95 A R H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.937 114.8 47.4 -54.1 -44.9 27.3 1.8 14.9 96 96 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.946 112.0 47.9 -62.0 -50.1 29.4 4.7 14.1 97 97 A D H X S+ 0 0 7 -4,-4.2 4,-1.6 1,-0.2 -1,-0.2 0.888 114.6 47.5 -58.0 -40.9 26.9 6.4 12.0 98 98 A I H X S+ 0 0 2 -4,-3.1 4,-2.7 -5,-0.3 -2,-0.2 0.958 111.7 47.2 -63.5 -55.7 24.2 6.0 14.6 99 99 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.874 109.0 55.8 -55.4 -44.7 26.1 7.2 17.6 100 100 A E H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.956 112.7 40.6 -56.6 -48.6 27.3 10.2 15.8 101 101 A N H X S+ 0 0 11 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.903 115.0 51.7 -66.8 -42.5 23.9 11.3 15.0 102 102 A Q H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.872 107.0 53.8 -59.5 -46.5 22.6 10.4 18.4 103 103 A V H X S+ 0 0 1 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.937 108.7 48.7 -59.1 -48.2 25.4 12.4 20.1 104 104 A M H X S+ 0 0 38 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.964 109.6 52.4 -60.2 -47.6 24.5 15.6 18.2 105 105 A D H X S+ 0 0 54 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.952 113.3 44.2 -50.8 -51.7 20.8 15.2 19.1 106 106 A N H X S+ 0 0 6 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.828 111.8 51.9 -63.2 -34.8 21.6 14.8 22.7 107 107 A R H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.912 110.5 48.4 -67.3 -43.8 24.1 17.7 22.7 108 108 A M H X S+ 0 0 70 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.931 106.5 58.6 -62.4 -47.1 21.6 20.0 21.1 109 109 A Q H X S+ 0 0 82 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.884 111.5 40.1 -45.8 -51.6 19.0 18.9 23.6 110 110 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.800 115.8 51.5 -70.2 -33.6 21.2 20.1 26.5 111 111 A I H X S+ 0 0 40 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.887 105.7 54.1 -72.8 -38.9 22.3 23.2 24.7 112 112 A M H < S+ 0 0 105 -4,-3.4 3,-0.2 1,-0.2 -2,-0.2 0.894 111.1 46.5 -61.6 -40.6 18.9 24.3 23.9 113 113 A L H >< S+ 0 0 8 -4,-1.4 3,-1.9 -5,-0.3 -1,-0.2 0.932 110.1 51.6 -62.1 -51.3 18.0 24.0 27.5 114 114 A C H 3< S+ 0 0 0 -4,-2.1 99,-5.9 1,-0.3 100,-0.4 0.666 114.9 46.0 -60.6 -23.3 21.2 25.9 28.7 115 115 A Y T 3< S+ 0 0 67 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.217 88.1 111.3-105.8 7.4 20.2 28.6 26.2 116 116 A N X - 0 0 58 -3,-1.9 3,-1.6 1,-0.1 4,-0.1 -0.736 62.6-145.3 -88.0 129.4 16.5 28.7 27.2 117 117 A P T 3 S+ 0 0 127 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.828 105.7 52.7 -56.0 -32.5 15.4 31.9 28.9 118 118 A D T 3> S+ 0 0 85 1,-0.2 4,-2.4 2,-0.1 3,-0.4 -0.120 75.1 130.9 -97.5 34.4 13.0 29.7 30.9 119 119 A F H <> + 0 0 10 -3,-1.6 4,-3.4 1,-0.2 -1,-0.2 0.834 62.4 56.8 -52.9 -54.2 15.9 27.4 31.9 120 120 A E H 4 S+ 0 0 152 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.843 114.6 40.1 -52.6 -37.8 15.2 27.2 35.6 121 121 A K H > S+ 0 0 153 -3,-0.4 4,-0.8 2,-0.1 -2,-0.2 0.895 117.1 47.5 -76.9 -44.4 11.7 25.9 34.9 122 122 A Q H >X S+ 0 0 91 -4,-2.4 4,-2.2 1,-0.2 3,-0.7 0.938 97.5 75.5 -62.0 -49.2 12.6 23.7 32.1 123 123 A K H 3X S+ 0 0 46 -4,-3.4 4,-3.0 1,-0.3 3,-0.4 0.779 92.1 47.1 -27.8 -74.6 15.6 22.1 34.0 124 124 A P H 3> S+ 0 0 55 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.898 115.4 49.5 -41.4 -49.1 13.7 19.8 36.5 125 125 A E H << S+ 0 0 106 -4,-0.8 4,-0.4 -3,-0.7 -2,-0.2 0.932 110.8 48.2 -58.5 -44.3 11.7 18.6 33.5 126 126 A F H >X S+ 0 0 20 -4,-2.2 3,-1.3 -3,-0.4 4,-0.5 0.870 104.8 60.9 -65.3 -36.0 14.8 18.0 31.5 127 127 A L H >< S+ 0 0 43 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.886 92.9 66.0 -56.9 -40.0 16.4 16.2 34.4 128 128 A K T 3< S+ 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174.1 82.4 72.8 0.9 23.4 7.4 434 216 B N 0 0 85 -3,-0.3 -6,-0.2 -4,-0.2 -7,-0.1 -0.169 360.0 360.0 -95.0 31.8 -0.9 21.6 10.3 435 217 B K 0 0 203 -8,-0.3 -7,-0.2 -9,-0.2 -1,-0.1 0.365 360.0 360.0-148.8 360.0 -2.4 19.2 7.7