==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAR-10 2X99 . COMPND 2 MOLECULE: THIOREDOXIN GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR F.ANGELUCCI,D.DIMASTROGIOVANNI,G.BOUMIS,M.BRUNORI,A.E.MIELE, . 587 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 51 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 3 1 1 0 1 1 4 2 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 6 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 PARALLEL BRIDGES PER LADDER . 5 0 3 1 3 1 1 2 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 . 1 3 1 1 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 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 6 A G > 0 0 82 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 5.9 22.3 39.8 7.0 2 7 A T H > + 0 0 40 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.731 360.0 55.8 -74.5 -21.1 24.4 39.2 3.9 3 8 A S H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.933 111.0 42.9 -69.5 -50.2 27.6 40.4 5.7 4 9 A Q H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.863 110.9 56.5 -66.4 -37.9 27.2 37.8 8.5 5 10 A W H X S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.951 109.8 44.5 -56.4 -53.3 26.2 35.1 6.1 6 11 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.880 112.0 52.6 -61.8 -41.8 29.5 35.5 4.0 7 12 A R H X S+ 0 0 134 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.959 111.9 45.2 -58.7 -52.4 31.6 35.7 7.2 8 13 A K H X S+ 0 0 154 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.878 115.2 48.7 -56.7 -41.9 30.2 32.4 8.5 9 14 A T H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 112.6 45.4 -67.5 -47.5 30.5 30.7 5.1 10 15 A V H < S+ 0 0 1 -4,-2.6 64,-0.8 1,-0.2 -2,-0.2 0.903 115.7 48.3 -64.2 -41.0 34.1 31.7 4.5 11 16 A D H < S+ 0 0 94 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.767 120.7 34.5 -71.9 -27.0 35.1 30.8 8.1 12 17 A S H < S+ 0 0 18 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.817 91.8 96.5 -98.8 -37.7 33.4 27.4 8.0 13 18 A A < - 0 0 3 -4,-2.6 60,-0.5 -5,-0.2 61,-0.4 -0.189 55.8-155.4 -62.1 142.9 33.8 26.0 4.5 14 19 A A S S+ 0 0 1 1,-0.3 59,-1.8 438,-0.2 2,-0.4 0.944 83.5 0.8 -80.8 -52.5 36.7 23.7 3.8 15 20 A V E S+A 72 0A 4 109,-0.8 26,-3.1 437,-0.3 2,-0.4 -0.943 79.8 168.6-141.1 116.1 37.0 24.4 0.1 16 21 A I E -Ab 71 41A 1 55,-2.1 55,-2.5 -2,-0.4 2,-0.5 -0.981 21.3-157.8-139.0 138.5 34.7 26.9 -1.6 17 22 A L E -Ab 70 42A 0 24,-2.6 26,-2.7 -2,-0.4 2,-0.5 -0.965 7.9-154.8-119.4 119.1 34.5 28.6 -5.0 18 23 A F E +Ab 69 43A 0 51,-2.5 51,-1.8 -2,-0.5 2,-0.2 -0.841 39.5 153.6 -90.3 128.1 32.6 31.9 -5.5 19 24 A S E - b 0 44A 0 24,-2.9 26,-3.1 -2,-0.5 27,-0.4 -0.781 43.8-128.5-148.6 169.7 31.7 31.9 -9.1 20 25 A K > - 0 0 48 24,-0.2 3,-1.4 -2,-0.2 6,-0.2 -0.987 23.8-131.1-134.2 144.6 29.3 33.1 -11.9 21 26 A T T 3 S+ 0 0 77 -2,-0.3 23,-0.0 1,-0.3 -1,-0.0 0.621 105.4 46.4 -69.4 -16.9 27.7 30.7 -14.5 22 27 A T T 3 S+ 0 0 122 4,-0.0 -1,-0.3 5,-0.0 3,-0.0 0.205 85.9 110.9-110.8 13.7 28.7 32.8 -17.5 23 28 A C <> - 0 0 22 -3,-1.4 4,-1.9 1,-0.1 3,-0.3 -0.818 50.3-163.3 -97.5 114.3 32.4 33.4 -16.5 24 29 A P H > S+ 0 0 85 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.673 94.4 56.5 -68.3 -17.9 35.0 31.6 -18.6 25 30 A Y H > S+ 0 0 134 2,-0.2 4,-1.6 42,-0.1 5,-0.1 0.834 105.8 49.6 -79.0 -34.5 37.5 32.2 -15.8 26 31 A C H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.873 110.4 51.1 -66.6 -40.4 35.3 30.4 -13.4 27 32 A K H X S+ 0 0 121 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.913 105.9 54.8 -62.6 -45.1 35.0 27.5 -15.8 28 33 A K H X S+ 0 0 114 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.886 110.0 46.8 -55.6 -41.6 38.8 27.4 -16.1 29 34 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.925 111.2 51.3 -65.7 -45.8 39.1 27.0 -12.3 30 35 A K H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.898 109.3 50.8 -57.1 -42.8 36.3 24.3 -12.3 31 36 A D H X S+ 0 0 84 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.905 111.7 47.7 -60.3 -43.9 38.2 22.4 -15.0 32 37 A V H X S+ 0 0 15 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 112.4 48.4 -62.1 -48.4 41.4 22.6 -13.0 33 38 A L H <>S+ 0 0 0 -4,-2.9 5,-3.3 1,-0.2 -2,-0.2 0.855 114.7 45.9 -62.9 -36.8 39.6 21.5 -9.8 34 39 A A H ><5S+ 0 0 69 -4,-2.4 3,-1.1 3,-0.2 -1,-0.2 0.900 110.9 51.4 -72.3 -42.0 38.0 18.6 -11.6 35 40 A E H 3<5S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.868 115.4 42.9 -62.7 -35.0 41.2 17.5 -13.4 36 41 A A T 3<5S- 0 0 40 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.372 112.4-123.8 -91.7 2.9 43.0 17.5 -10.0 37 42 A K T < 5 + 0 0 176 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.895 53.3 159.2 54.7 46.8 39.9 15.8 -8.3 38 43 A I < - 0 0 21 -5,-3.3 -1,-0.2 -6,-0.1 2,-0.2 -0.917 30.6-147.6-101.0 112.4 39.6 18.5 -5.8 39 44 A K + 0 0 67 -2,-0.7 2,-0.3 -3,-0.1 85,-0.2 -0.563 30.4 153.6 -83.2 148.1 36.1 18.5 -4.3 40 45 A H - 0 0 35 83,-0.5 85,-0.3 -2,-0.2 2,-0.2 -0.987 43.8 -98.6-165.3 159.8 34.6 21.8 -3.3 41 46 A A E -b 16 0A 2 -26,-3.1 -24,-2.6 83,-0.6 2,-0.4 -0.636 33.6-157.1 -84.2 153.6 31.5 23.9 -2.8 42 47 A T E -b 17 0A 53 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.997 9.1-169.7-135.2 127.8 30.4 26.3 -5.5 43 48 A I E -b 18 0A 17 -26,-2.7 -24,-2.9 -2,-0.4 2,-0.8 -0.980 12.3-152.6-118.4 117.3 28.3 29.4 -5.0 44 49 A E E > -b 19 0A 26 -2,-0.5 3,-1.6 -26,-0.2 -24,-0.2 -0.820 4.9-164.2 -93.2 108.7 27.1 31.0 -8.2 45 50 A L G > S+ 0 0 2 -26,-3.1 3,-1.3 -2,-0.8 6,-0.4 0.767 85.6 62.1 -69.2 -28.8 26.6 34.7 -7.4 46 51 A D G 3 S+ 0 0 65 -27,-0.4 -1,-0.3 1,-0.2 -26,-0.1 0.582 99.5 58.8 -72.3 -8.9 24.5 35.4 -10.5 47 52 A Q G < S+ 0 0 151 -3,-1.6 2,-0.4 4,-0.0 -1,-0.2 0.447 95.5 78.4 -94.2 -3.6 22.0 32.9 -9.1 48 53 A L S X S- 0 0 72 -3,-1.3 3,-1.7 -4,-0.2 4,-0.2 -0.887 74.8-138.0-113.9 139.8 21.4 34.8 -5.9 49 54 A S T 3 S+ 0 0 135 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.758 109.8 41.2 -64.4 -25.4 19.3 38.0 -5.4 50 55 A N T 3> S+ 0 0 54 1,-0.1 4,-1.7 2,-0.1 3,-0.4 0.159 79.9 117.1-106.8 19.4 22.1 39.4 -3.2 51 56 A G H <> S+ 0 0 2 -3,-1.7 4,-2.2 -6,-0.4 -1,-0.1 0.792 72.1 53.8 -58.5 -36.1 25.0 38.3 -5.3 52 57 A S H > S+ 0 0 85 -4,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.879 109.3 48.3 -68.0 -39.0 26.2 41.8 -6.2 53 58 A A H > S+ 0 0 43 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.828 108.9 55.0 -69.7 -31.7 26.4 42.7 -2.5 54 59 A I H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.922 103.8 54.5 -64.0 -45.9 28.3 39.5 -1.9 55 60 A Q H X S+ 0 0 36 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.870 109.9 47.2 -54.0 -41.3 30.9 40.5 -4.5 56 61 A K H >< S+ 0 0 149 -4,-1.4 3,-0.7 1,-0.2 4,-0.2 0.892 112.0 49.8 -67.4 -41.4 31.4 43.7 -2.7 57 62 A C H >< S+ 0 0 32 -4,-2.0 3,-2.1 1,-0.2 4,-0.3 0.800 96.1 70.8 -68.8 -32.1 31.7 41.9 0.7 58 63 A L H >X S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 4,-2.1 0.816 85.2 68.5 -54.8 -34.0 34.2 39.4 -0.7 59 64 A A H S-AC 15 75A 8 3,-2.4 3,-1.3 -2,-0.3 -57,-0.2 -0.967 74.5 -28.0-132.0 115.4 40.4 27.1 1.8 73 78 A R T 3 S- 0 0 46 -59,-1.8 -59,-0.1 -60,-0.5 -62,-0.1 0.851 129.1 -38.3 49.8 48.1 39.6 26.9 5.5 74 79 A G T 3 S+ 0 0 29 -64,-0.8 2,-0.5 -61,-0.4 -1,-0.3 0.387 117.2 108.5 94.1 -0.9 38.9 30.7 6.0 75 80 A K E < -C 72 0A 141 -3,-1.3 -3,-2.4 -65,-0.1 2,-0.2 -0.928 69.6-125.8-124.2 125.2 41.7 31.9 3.7 76 81 A F E -C 71 0A 61 -2,-0.5 -5,-0.2 -15,-0.4 3,-0.1 -0.531 28.5-179.7 -65.6 132.9 41.5 33.5 0.3 77 82 A I E - 0 0 24 -7,-3.3 2,-0.2 1,-0.3 -6,-0.2 0.672 45.3 -61.9-113.5 -29.7 43.7 31.4 -2.0 78 83 A G E -C 70 0A 2 -8,-1.1 -8,-2.3 4,-0.1 -1,-0.3 -0.815 34.2 -98.6 159.8 160.1 43.5 33.1 -5.3 79 84 A D > - 0 0 57 -2,-0.2 4,-2.4 -10,-0.2 5,-0.2 -0.193 67.8 -75.5 -82.4-170.9 41.7 34.4 -8.4 80 85 A S H > S+ 0 0 18 -12,-0.3 4,-2.7 1,-0.2 5,-0.2 0.931 132.4 48.2 -61.6 -49.4 41.8 32.2 -11.6 81 86 A Q H > S+ 0 0 156 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 113.1 49.9 -55.7 -43.2 45.4 33.1 -12.6 82 87 A T H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 110.5 48.4 -62.6 -47.5 46.6 32.3 -9.1 83 88 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 112.2 49.5 -60.3 -44.1 44.8 29.0 -9.0 84 89 A L H X S+ 0 0 65 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.843 107.0 56.5 -61.8 -34.7 46.3 28.1 -12.4 85 90 A K H X S+ 0 0 93 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.932 108.4 46.0 -62.3 -47.9 49.7 29.1 -11.0 86 91 A Y H X>S+ 0 0 45 -4,-2.2 5,-2.9 2,-0.2 6,-1.4 0.883 112.8 52.9 -60.0 -40.1 49.4 26.6 -8.2 87 92 A Y H ><5S+ 0 0 76 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.982 110.8 43.2 -60.7 -56.1 48.2 24.0 -10.6 88 93 A S H 3<5S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.745 116.2 49.1 -66.2 -24.1 51.2 24.4 -13.1 89 94 A N H 3<5S- 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.517 110.4-123.1 -90.1 -3.4 53.6 24.5 -10.2 90 95 A D T <<5S+ 0 0 148 -3,-1.7 4,-0.2 -4,-0.6 -3,-0.2 0.841 81.4 116.7 62.8 36.8 52.0 21.4 -8.6 91 96 A E >< + 0 0 72 -5,-2.9 4,-2.4 -6,-0.2 3,-0.2 0.594 47.3 84.6-101.4 -21.1 51.4 23.3 -5.4 92 97 A L H > S+ 0 0 4 -6,-1.4 4,-2.5 1,-0.2 5,-0.3 0.881 86.3 52.6 -57.5 -44.8 47.6 23.1 -5.5 93 98 A A H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 111.3 47.8 -56.9 -45.6 47.3 19.7 -3.8 94 99 A G H > S+ 0 0 43 -3,-0.2 4,-0.8 -4,-0.2 -1,-0.2 0.920 111.3 51.8 -59.9 -46.1 49.5 20.9 -0.9 95 100 A I H >< S+ 0 0 48 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.915 111.6 44.0 -57.6 -48.4 47.4 24.1 -0.6 96 101 A V H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.749 112.5 53.7 -77.0 -21.8 44.0 22.4 -0.4 97 102 A N H 3< S+ 0 0 99 -4,-1.6 -1,-0.2 -5,-0.3 2,-0.2 0.594 82.6 115.2 -78.9 -15.5 45.4 19.7 2.0 98 103 A E << + 0 0 139 -4,-0.8 2,-0.3 -3,-0.8 3,-0.1 -0.407 39.2 148.5 -70.4 126.2 46.7 22.4 4.5 99 104 A S - 0 0 33 -2,-0.2 5,-0.0 1,-0.1 -2,-0.0 -0.990 55.5-134.9-157.9 145.3 44.9 22.4 7.8 100 105 A K S S+ 0 0 179 -2,-0.3 2,-0.2 3,-0.0 -1,-0.1 0.787 96.3 47.3 -62.5 -32.7 45.4 23.0 11.5 101 106 A Y S S- 0 0 39 1,-0.1 144,-0.1 -3,-0.1 3,-0.1 -0.719 85.1-117.9-114.6 162.4 43.6 19.7 12.2 102 107 A D S S+ 0 0 82 -2,-0.2 2,-0.3 142,-0.2 143,-0.2 0.868 102.0 18.7 -58.7 -40.1 43.7 16.1 11.0 103 108 A Y E -d 245 0B 40 141,-1.7 143,-2.3 1,-0.1 25,-0.2 -0.960 57.9-144.0-133.0 150.3 40.1 16.5 9.8 104 109 A D E S+ 0 0 1 23,-1.8 143,-3.4 -2,-0.3 2,-0.4 0.794 99.1 24.0 -72.1 -31.4 37.6 19.3 8.9 105 110 A L E -de 247 128B 0 22,-2.1 24,-2.3 141,-0.2 2,-0.5 -0.987 60.6-171.3-141.0 127.3 34.9 17.1 10.3 106 111 A I E -de 248 129B 0 141,-2.4 143,-2.8 -2,-0.4 2,-0.6 -0.985 12.1-163.2-113.3 122.5 34.9 14.2 12.8 107 112 A V E -de 249 130B 0 22,-3.2 24,-3.0 -2,-0.5 2,-0.8 -0.918 4.4-157.2-103.4 120.8 31.6 12.4 13.1 108 113 A I E +de 250 131B 10 141,-2.9 143,-2.7 -2,-0.6 24,-0.1 -0.868 69.6 33.6-101.2 105.8 31.2 10.3 16.2 109 114 A G - 0 0 8 22,-3.1 23,-0.2 -2,-0.8 22,-0.2 0.067 65.8-142.4 117.8 126.5 28.6 7.6 15.4 110 115 A G + 0 0 0 4,-0.1 36,-1.4 20,-0.1 37,-0.1 -0.417 60.8 107.2-117.9 56.3 27.9 6.0 12.1 111 116 A G S > S- 0 0 11 140,-0.5 4,-2.6 -2,-0.1 5,-0.4 -0.142 90.9 -54.4-105.4-152.0 24.1 5.6 12.0 112 117 A S H > S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.923 137.1 36.4 -57.0 -51.0 21.5 7.5 10.0 113 118 A G H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.939 118.4 48.6 -68.0 -50.1 22.5 10.9 11.1 114 119 A G H > S+ 0 0 0 137,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.895 113.3 45.2 -60.2 -45.3 26.3 10.4 11.2 115 120 A L H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.906 113.7 50.6 -67.1 -42.0 26.6 8.8 7.8 116 121 A A H X S+ 0 0 6 -4,-1.5 4,-2.1 -5,-0.4 5,-0.2 0.950 114.5 43.0 -59.4 -52.4 24.3 11.4 6.2 117 122 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.928 116.3 48.7 -58.4 -48.5 26.3 14.2 7.7 118 123 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.928 113.5 43.5 -60.1 -51.8 29.7 12.6 6.8 119 124 A K H X S+ 0 0 35 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.896 114.8 50.8 -61.9 -42.8 28.9 11.7 3.2 120 125 A E H X S+ 0 0 15 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 0.893 109.4 49.9 -66.0 -40.4 27.4 15.1 2.6 121 126 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-1.4 0.915 105.6 56.8 -62.0 -43.9 30.4 17.0 4.0 122 127 A A H ><5S+ 0 0 1 -4,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.852 95.3 67.5 -55.4 -37.1 32.9 15.0 1.9 123 128 A K H 3<5S+ 0 0 95 -4,-1.4 -83,-0.5 1,-0.3 -1,-0.3 0.786 100.2 48.8 -53.9 -31.9 31.0 16.2 -1.2 124 129 A Y T <<5S- 0 0 46 -3,-1.4 -109,-0.8 -4,-0.6 -83,-0.6 0.059 128.0 -95.4 -99.7 23.9 32.1 19.8 -0.6 125 130 A G T < 5S+ 0 0 14 -3,-2.1 2,-0.3 -85,-0.3 -3,-0.2 0.551 72.6 150.9 81.1 8.6 35.8 18.8 -0.1 126 131 A A < - 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