==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-FEB-09 3GAJ . COMPND 2 MOLECULE: COBALAMIN ADENOSYLTRANSFERASE PDUO-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS REUTERI; . AUTHOR M.ST MAURICE,P.E.MERA,J.C.ESCALANTE-SEMERENA,I.RAYMENT . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.3 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 196 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.3 -24.3 46.0 0.2 2 3 A I + 0 0 175 1,-0.1 2,-0.7 2,-0.1 0, 0.0 0.721 360.0 78.1 -69.1 -21.7 -24.4 42.2 -0.5 3 4 A Y + 0 0 141 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.825 48.8 165.1 -91.2 112.4 -27.3 42.9 -2.9 4 5 A T - 0 0 89 -2,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.634 38.4-139.3 -95.0 -19.2 -26.0 44.3 -6.2 5 6 A K S > S+ 0 0 140 1,-0.1 3,-1.9 3,-0.0 4,-0.2 0.342 70.1 119.4 71.9 -2.1 -29.3 43.8 -8.1 6 7 A N T 3 S+ 0 0 134 1,-0.3 3,-0.5 2,-0.1 5,-0.3 0.752 71.5 53.8 -64.4 -22.0 -27.2 42.6 -11.1 7 8 A G T > S+ 0 0 17 1,-0.2 3,-2.0 3,-0.1 -1,-0.3 0.404 76.9 102.6 -89.0 3.3 -28.9 39.2 -10.9 8 9 A D T < S+ 0 0 130 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.699 80.3 50.1 -65.6 -19.7 -32.4 40.7 -11.1 9 10 A K T 3 S- 0 0 124 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.282 124.2 -97.0-100.9 7.2 -32.9 39.8 -14.8 10 11 A G S < S+ 0 0 25 -3,-2.0 12,-2.5 1,-0.3 2,-0.3 0.436 87.6 108.3 100.5 -1.6 -31.7 36.2 -14.4 11 12 A Q E -A 21 0A 82 -5,-0.3 -1,-0.3 10,-0.2 2,-0.3 -0.808 40.6-178.7-110.1 155.9 -28.1 36.3 -15.4 12 13 A T E -A 20 0A 48 8,-2.5 8,-2.5 -2,-0.3 2,-0.3 -0.965 26.9-105.9-149.2 157.0 -25.1 35.9 -13.1 13 14 A R E -A 19 0A 150 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.689 26.6-166.3 -87.7 140.0 -21.3 35.9 -13.2 14 15 A I - 0 0 12 4,-2.1 2,-0.3 -2,-0.3 60,-0.1 -0.312 52.2 -56.8 -99.8-167.5 -19.2 32.8 -12.9 15 16 A I S S+ 0 0 42 58,-2.0 3,-0.4 55,-0.2 2,-0.2 -0.620 116.4 14.3 -73.9 134.9 -15.4 32.7 -12.2 16 17 A G S S- 0 0 10 -2,-0.3 -2,-0.1 1,-0.2 62,-0.0 -0.624 120.4 -46.8 92.0-158.2 -13.8 34.7 -15.0 17 18 A K S S+ 0 0 188 -2,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.596 96.1 110.4 -91.9 -12.7 -15.6 37.0 -17.4 18 19 A Q - 0 0 89 -3,-0.4 -4,-2.1 -5,-0.1 2,-0.4 -0.321 47.4-158.4 -73.1 143.7 -18.6 34.9 -18.4 19 20 A I E -A 13 0A 87 -6,-0.2 2,-0.3 -2,-0.0 -6,-0.2 -0.930 14.2-177.5-112.4 148.4 -22.2 35.5 -17.5 20 21 A L E -A 12 0A 24 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.1 -0.947 35.2 -94.9-136.3 154.3 -24.8 32.7 -17.6 21 22 A Y E > -A 11 0A 150 -2,-0.3 3,-2.1 -10,-0.2 6,-0.3 -0.460 42.4-116.1 -60.5 149.3 -28.5 32.3 -17.0 22 23 A K T 3 S+ 0 0 100 -12,-2.5 -1,-0.1 1,-0.3 -11,-0.1 0.750 115.4 55.2 -67.5 -21.6 -29.1 31.1 -13.5 23 24 A N T 3 S+ 0 0 134 -13,-0.3 -1,-0.3 4,-0.1 -12,-0.1 0.356 77.7 127.1 -88.7 6.7 -30.5 27.9 -14.8 24 25 A D S <> S- 0 0 43 -3,-2.1 4,-2.5 1,-0.1 3,-0.4 -0.350 74.0-116.8 -58.0 144.8 -27.4 27.1 -16.8 25 26 A P H > S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 115,-0.3 0.815 114.5 55.9 -59.1 -27.9 -26.1 23.6 -15.9 26 27 A R H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.947 109.6 44.4 -65.6 -46.9 -22.9 25.1 -14.6 27 28 A V H > S+ 0 0 21 -3,-0.4 4,-2.3 -6,-0.3 -1,-0.2 0.894 112.9 52.4 -65.7 -38.0 -24.7 27.3 -12.1 28 29 A A H X S+ 0 0 26 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.900 108.0 53.3 -63.4 -39.4 -27.0 24.5 -11.2 29 30 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.967 115.8 35.0 -64.9 -53.2 -24.0 22.3 -10.5 30 31 A Y H X S+ 0 0 49 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.831 114.8 59.5 -76.3 -21.6 -22.1 24.6 -8.1 31 32 A G H X S+ 0 0 32 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.908 105.5 48.6 -64.3 -40.7 -25.5 25.8 -6.7 32 33 A E H X S+ 0 0 36 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.861 108.6 53.3 -68.1 -34.8 -26.2 22.2 -5.7 33 34 A V H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.893 108.2 50.8 -64.9 -36.8 -22.8 21.9 -4.1 34 35 A D H X S+ 0 0 106 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.916 109.1 50.9 -65.1 -42.4 -23.6 25.1 -2.1 35 36 A E H X S+ 0 0 83 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 111.1 48.6 -60.0 -44.8 -26.9 23.5 -1.0 36 37 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.938 109.1 52.7 -58.7 -45.0 -25.0 20.4 0.1 37 38 A N H X S+ 0 0 18 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.927 109.4 49.0 -60.0 -42.4 -22.5 22.5 2.0 38 39 A S H X S+ 0 0 75 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.921 110.3 50.8 -64.1 -40.6 -25.4 24.2 3.8 39 40 A W H X S+ 0 0 67 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.888 107.0 54.2 -63.7 -38.2 -26.9 20.9 4.7 40 41 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.918 107.9 50.8 -60.5 -40.7 -23.6 19.7 6.0 41 42 A G H X S+ 0 0 25 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.927 110.8 48.4 -59.8 -43.9 -23.6 22.8 8.3 42 43 A Y H < S+ 0 0 113 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.938 110.7 50.7 -63.0 -45.2 -27.0 21.9 9.5 43 44 A T H >< S+ 0 0 1 -4,-3.0 3,-1.9 1,-0.2 4,-0.2 0.928 107.9 52.9 -57.8 -45.4 -26.0 18.3 10.1 44 45 A K H >< S+ 0 0 56 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.840 99.4 63.7 -60.3 -32.2 -22.9 19.5 12.1 45 46 A S T 3< S+ 0 0 83 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.636 96.5 60.0 -67.8 -12.1 -25.3 21.6 14.3 46 47 A L T < S+ 0 0 33 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.440 75.0 125.1 -94.4 -3.5 -26.9 18.4 15.5 47 48 A I < - 0 0 29 -3,-1.6 2,-0.2 -4,-0.2 5,-0.1 -0.271 38.1-178.2 -58.4 142.4 -23.7 16.9 17.0 48 49 A N >> - 0 0 58 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.672 46.5 -77.5-131.9-173.5 -24.1 15.9 20.6 49 50 A S T 34 S+ 0 0 108 1,-0.3 3,-0.4 -2,-0.2 4,-0.2 0.843 129.2 51.6 -63.4 -28.3 -21.9 14.5 23.4 50 51 A H T 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.730 118.4 36.0 -74.1 -24.3 -22.2 11.0 21.9 51 52 A T T X4 S+ 0 0 0 -3,-1.1 3,-2.5 1,-0.1 4,-0.3 0.268 73.5 116.9-122.2 11.4 -21.2 12.2 18.4 52 53 A Q G >< + 0 0 113 -4,-0.8 3,-1.8 -3,-0.4 4,-0.5 0.780 67.0 72.6 -51.0 -33.0 -18.5 14.9 19.0 53 54 A V G 3 S+ 0 0 94 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.675 95.1 53.8 -60.7 -16.0 -15.9 12.7 17.2 54 55 A L G <> S+ 0 0 1 -3,-2.5 4,-1.4 1,-0.1 -1,-0.3 0.585 86.8 84.3 -91.3 -10.8 -17.7 13.5 13.9 55 56 A S H <> S+ 0 0 8 -3,-1.8 4,-1.7 -4,-0.3 3,-0.2 0.925 85.8 48.4 -63.3 -49.9 -17.6 17.3 14.2 56 57 A N H > S+ 0 0 128 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.905 110.2 50.7 -64.1 -41.6 -14.2 18.1 12.9 57 58 A E H > S+ 0 0 14 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.837 105.9 56.0 -67.8 -31.2 -14.4 16.0 9.7 58 59 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.2 -1,-0.2 0.923 108.1 49.1 -63.7 -39.2 -17.7 17.6 8.8 59 60 A E H X S+ 0 0 99 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.915 109.3 52.2 -64.7 -42.1 -16.1 21.0 9.0 60 61 A E H X S+ 0 0 85 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.901 106.2 53.9 -60.1 -42.5 -13.2 19.7 6.8 61 62 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.899 104.6 55.2 -58.3 -40.2 -15.8 18.5 4.2 62 63 A Q H X S+ 0 0 51 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.892 107.4 49.1 -61.6 -38.3 -17.3 22.0 4.1 63 64 A Q H X S+ 0 0 116 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.937 112.2 49.2 -65.0 -44.9 -13.9 23.4 3.3 64 65 A L H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.841 106.1 55.9 -61.8 -36.9 -13.5 20.8 0.5 65 66 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.848 103.6 54.2 -69.7 -32.1 -16.9 21.5 -0.9 66 67 A F H X S+ 0 0 153 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.921 108.2 50.1 -61.2 -43.3 -16.0 25.2 -1.3 67 68 A D H X S+ 0 0 73 -4,-1.6 4,-1.9 1,-0.2 18,-0.3 0.903 111.7 48.6 -62.2 -40.7 -12.9 24.0 -3.3 68 69 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 110.3 50.3 -64.3 -45.9 -15.2 21.8 -5.5 69 70 A G H X S+ 0 0 13 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.901 106.8 56.0 -57.6 -44.8 -17.6 24.6 -6.1 70 71 A H H < S+ 0 0 68 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.935 109.6 45.1 -53.9 -49.8 -14.8 26.9 -7.1 71 72 A D H >< S+ 0 0 2 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.878 110.2 53.3 -66.8 -36.3 -13.6 24.5 -9.8 72 73 A L H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.827 107.7 52.8 -65.8 -30.1 -17.2 23.9 -11.1 73 74 A A T 3< S+ 0 0 7 -4,-2.0 -58,-2.0 -3,-0.2 -1,-0.3 0.457 96.9 85.9 -79.8 -4.4 -17.6 27.7 -11.4 74 75 A T S < S- 0 0 1 -3,-1.2 73,-0.1 -4,-0.3 -58,-0.1 -0.885 76.9-133.3-106.7 115.4 -14.3 27.8 -13.5 75 76 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 6,-0.1 -0.389 18.7-126.3 -62.4 144.7 -14.4 27.2 -17.3 76 77 A A T 3 S+ 0 0 45 69,-0.6 7,-0.1 1,-0.3 70,-0.1 0.773 109.6 49.1 -62.2 -28.3 -11.7 24.8 -18.5 77 78 A D T 3 S+ 0 0 113 68,-0.1 2,-0.5 5,-0.0 -1,-0.3 0.236 76.7 126.1 -99.1 12.7 -10.5 27.4 -21.0 78 79 A D < - 0 0 32 -3,-1.6 3,-0.2 1,-0.2 -62,-0.0 -0.618 44.4-162.7 -72.5 119.8 -10.3 30.4 -18.6 79 80 A E S S+ 0 0 154 -2,-0.5 -1,-0.2 1,-0.2 3,-0.0 0.819 83.9 47.5 -73.9 -32.3 -6.8 31.7 -18.9 80 81 A R S S+ 0 0 214 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.560 110.8 51.2 -90.1 -10.8 -6.7 33.7 -15.7 81 82 A H - 0 0 79 -3,-0.2 2,-0.2 -6,-0.1 -3,-0.1 -0.993 65.8-164.4-134.8 131.6 -8.1 31.1 -13.4 82 83 A S - 0 0 95 -2,-0.4 2,-0.2 -5,-0.1 -6,-0.1 -0.690 32.4 -94.0-109.6 160.4 -7.0 27.5 -12.9 83 84 A F - 0 0 75 -2,-0.2 -1,-0.0 1,-0.1 -12,-0.0 -0.564 35.3-178.9 -66.1 134.4 -8.5 24.4 -11.3 84 85 A K + 0 0 71 -17,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.600 48.0 98.8-108.6 -19.5 -7.3 24.1 -7.6 85 86 A F - 0 0 9 -18,-0.3 2,-0.5 -17,-0.1 64,-0.2 -0.598 44.9-177.4 -84.3 124.0 -9.1 20.8 -6.6 86 87 A K - 0 0 117 -2,-0.5 3,-0.2 1,-0.1 61,-0.0 -0.983 13.3-156.3-117.8 122.5 -7.0 17.6 -6.6 87 88 A Q S > S+ 0 0 48 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.759 70.7 81.5 -70.1 -29.3 -9.0 14.5 -5.7 88 89 A E H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 96.0 35.5 -55.4 -56.4 -6.2 12.1 -4.4 89 90 A Q H > S+ 0 0 133 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 121.8 43.9 -66.4 -50.8 -5.6 13.2 -0.9 90 91 A P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 115.3 50.1 -61.8 -33.4 -9.2 14.2 0.1 91 92 A T H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.910 110.2 48.4 -73.3 -39.8 -10.6 11.0 -1.6 92 93 A V H X S+ 0 0 60 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.893 110.1 54.5 -62.5 -38.8 -8.1 8.7 0.2 93 94 A W H X S+ 0 0 52 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.939 109.4 46.5 -61.0 -46.2 -9.0 10.5 3.4 94 95 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.919 111.0 52.7 -60.1 -43.8 -12.7 9.7 2.8 95 96 A E H X S+ 0 0 69 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.872 105.5 53.7 -64.1 -36.9 -11.9 6.1 1.9 96 97 A E H X S+ 0 0 119 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.912 112.0 45.4 -62.8 -42.0 -10.0 5.6 5.2 97 98 A K H X S+ 0 0 45 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.933 111.5 51.6 -66.2 -45.0 -13.0 6.9 7.1 98 99 A I H X S+ 0 0 25 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.933 111.9 47.9 -55.2 -47.3 -15.4 4.7 5.0 99 100 A D H X S+ 0 0 90 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.942 114.3 45.7 -58.9 -49.2 -13.1 1.7 5.8 100 101 A N H X S+ 0 0 83 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.960 116.7 43.5 -60.3 -51.6 -13.0 2.4 9.5 101 102 A Y H X S+ 0 0 10 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.843 113.1 51.9 -67.8 -34.5 -16.7 3.1 9.9 102 103 A T H < S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.906 111.3 48.6 -64.6 -40.3 -17.7 0.1 7.8 103 104 A Q H < S+ 0 0 152 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.875 112.1 47.1 -65.9 -39.7 -15.5 -2.2 9.9 104 105 A V H < S+ 0 0 54 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.779 96.8 77.1 -82.9 -28.5 -16.8 -1.0 13.3 105 106 A V S < S- 0 0 10 -4,-1.4 2,-0.1 -5,-0.2 62,-0.1 -0.377 98.5 -80.1 -81.2 161.1 -20.6 -1.0 12.8 106 107 A P - 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