==== 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 10-MAR-08 3CI3 . 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 . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 70.7 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 3.2 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 . 1 0.5 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 . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 51.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 1 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 1 A V 0 0 130 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 124.4 16.8 -24.7 1.7 2 2 A K - 0 0 143 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.938 360.0-169.1-119.3 112.0 17.5 -21.5 -0.1 3 3 A I S S+ 0 0 175 -2,-0.6 2,-0.8 1,-0.1 3,-0.1 0.725 77.4 78.1 -70.9 -17.9 14.4 -19.5 -1.0 4 4 A Y + 0 0 143 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.847 49.0 162.7 -91.0 105.4 16.7 -17.3 -3.2 5 5 A T - 0 0 91 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.1 0.628 40.6-139.2 -87.2 -21.6 17.3 -19.3 -6.3 6 6 A K S > S+ 0 0 138 -3,-0.1 3,-2.0 1,-0.1 4,-0.2 0.313 71.3 118.9 68.9 -0.4 18.5 -16.2 -8.2 7 7 A N T 3 S+ 0 0 137 1,-0.3 3,-0.5 2,-0.1 5,-0.3 0.734 71.2 55.3 -65.0 -18.7 16.6 -17.4 -11.3 8 8 A G T > S+ 0 0 15 1,-0.2 3,-1.9 3,-0.1 -1,-0.3 0.403 76.2 101.2 -87.8 0.4 14.5 -14.1 -11.0 9 9 A D T < S+ 0 0 127 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.688 80.2 49.6 -69.1 -14.0 17.5 -11.9 -11.1 10 10 A K T 3 S- 0 0 119 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.322 124.5 -95.1-105.1 9.9 17.0 -11.0 -14.8 11 11 A G S < S+ 0 0 26 -3,-1.9 12,-2.6 1,-0.3 2,-0.3 0.446 89.0 107.6 99.0 1.5 13.3 -10.1 -14.5 12 12 A Q E -A 22 0A 81 -5,-0.3 -1,-0.3 10,-0.2 2,-0.3 -0.834 41.5-174.8-109.8 155.9 11.6 -13.3 -15.4 13 13 A T E -A 21 0A 45 8,-2.5 8,-2.4 -2,-0.3 2,-0.3 -0.975 26.0-109.2-146.4 154.8 9.7 -15.7 -13.2 14 14 A R E -A 20 0A 87 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.628 29.4-167.4 -85.1 137.8 8.0 -19.1 -13.4 15 15 A I - 0 0 13 4,-2.3 2,-0.3 -2,-0.3 60,-0.1 -0.367 49.1 -53.9-101.1-168.1 4.2 -19.4 -13.1 16 16 A I S S+ 0 0 51 58,-1.8 3,-0.4 -2,-0.2 2,-0.3 -0.583 116.0 8.5 -69.4 130.5 2.1 -22.5 -12.6 17 17 A G S S- 0 0 14 -2,-0.3 -2,-0.1 1,-0.2 62,-0.0 -0.674 120.6 -42.6 92.0-156.0 3.1 -25.0 -15.3 18 18 A K S S+ 0 0 181 -2,-0.3 -1,-0.2 -4,-0.1 2,-0.1 0.588 96.8 106.8 -86.8 -23.4 6.0 -24.5 -17.7 19 19 A Q - 0 0 91 -3,-0.4 -4,-2.3 -5,-0.1 2,-0.4 -0.389 48.6-157.4 -72.4 148.2 5.8 -20.8 -18.7 20 20 A I E -A 14 0A 85 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.921 15.0-175.2-113.7 146.9 8.0 -18.0 -17.6 21 21 A L E -A 13 0A 24 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.1 -0.942 33.9 -94.0-132.6 154.6 6.9 -14.4 -17.7 22 22 A Y E > -A 12 0A 148 -2,-0.3 3,-2.2 -10,-0.2 6,-0.3 -0.472 41.7-116.2 -60.4 149.0 8.3 -11.0 -17.1 23 23 A K T 3 S+ 0 0 101 -12,-2.6 -1,-0.1 1,-0.3 -11,-0.1 0.713 115.4 54.3 -65.2 -23.3 7.7 -9.9 -13.5 24 24 A N T 3 S+ 0 0 132 -13,-0.3 -1,-0.3 4,-0.1 -12,-0.1 0.350 77.9 127.2 -89.2 3.9 5.5 -7.0 -14.8 25 25 A D S <> S- 0 0 43 -3,-2.2 4,-2.7 1,-0.1 3,-0.3 -0.326 73.7-116.8 -56.2 144.0 3.3 -9.3 -16.9 26 26 A P H > S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 115,-0.3 0.799 114.3 55.1 -58.8 -28.1 -0.4 -8.7 -16.0 27 27 A R H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.943 110.1 44.3 -66.7 -47.3 -0.7 -12.3 -14.7 28 28 A V H > S+ 0 0 20 -6,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.881 112.8 52.6 -62.3 -40.3 2.2 -11.9 -12.3 29 29 A A H X S+ 0 0 22 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.887 106.9 54.1 -61.0 -39.8 0.9 -8.5 -11.3 30 30 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.962 114.8 35.9 -65.2 -52.7 -2.6 -10.0 -10.5 31 31 A Y H X S+ 0 0 51 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.837 114.8 58.7 -75.4 -22.1 -1.5 -12.7 -8.2 32 32 A G H X S+ 0 0 29 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.914 106.1 48.1 -65.8 -40.6 1.2 -10.4 -6.8 33 33 A E H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.858 108.7 54.2 -67.3 -36.6 -1.5 -7.9 -5.8 34 34 A V H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.882 108.1 50.3 -59.9 -40.1 -3.5 -10.7 -4.2 35 35 A D H X S+ 0 0 93 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.906 108.3 51.9 -64.7 -41.7 -0.4 -11.6 -2.2 36 36 A E H X S+ 0 0 83 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.933 110.8 48.6 -59.3 -43.7 -0.1 -7.9 -1.1 37 37 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.933 109.2 52.9 -58.4 -46.8 -3.7 -8.0 0.0 38 38 A N H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.916 109.0 49.0 -58.3 -42.2 -3.1 -11.2 1.9 39 39 A S H X S+ 0 0 75 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.902 110.0 51.4 -63.6 -41.2 -0.2 -9.7 3.8 40 40 A W H X S+ 0 0 65 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.887 107.0 53.6 -63.2 -38.2 -2.3 -6.6 4.6 41 41 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.921 107.6 51.6 -62.2 -39.3 -5.1 -8.9 5.9 42 42 A G H X S+ 0 0 23 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.924 110.5 48.1 -58.0 -46.7 -2.4 -10.5 8.1 43 43 A Y H X S+ 0 0 110 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.933 110.8 51.2 -60.1 -45.1 -1.4 -7.1 9.4 44 44 A T H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.928 107.2 53.1 -59.4 -45.5 -5.0 -6.2 10.0 45 45 A K H >< S+ 0 0 57 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.830 99.7 63.2 -60.1 -32.4 -5.6 -9.4 12.0 46 46 A S H 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.655 95.6 61.1 -67.0 -15.4 -2.6 -8.5 14.2 47 47 A L T << S+ 0 0 34 -3,-1.7 -1,-0.3 -4,-0.5 73,-0.2 0.412 74.6 127.4 -88.5 -6.9 -4.5 -5.4 15.4 48 48 A I < - 0 0 30 -3,-1.6 2,-0.2 -4,-0.2 5,-0.1 -0.199 36.8-177.2 -46.1 142.5 -7.4 -7.4 16.9 49 49 A N >> - 0 0 57 0, 0.0 3,-0.9 0, 0.0 4,-0.8 -0.775 45.8 -81.1-133.3-175.6 -8.1 -6.5 20.5 50 50 A S T 34 S+ 0 0 109 1,-0.3 3,-0.3 -2,-0.2 4,-0.2 0.830 128.9 51.4 -64.1 -28.2 -10.5 -7.7 23.2 51 51 A H T 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.765 118.0 37.1 -72.7 -27.4 -13.3 -5.7 21.7 52 52 A T T X4 S+ 0 0 0 -3,-0.9 3,-2.7 1,-0.1 4,-0.3 0.306 75.2 115.2-114.5 13.2 -12.8 -7.1 18.2 53 53 A Q G >< + 0 0 111 -4,-0.8 3,-1.9 -3,-0.3 4,-0.5 0.791 66.1 72.7 -56.6 -29.8 -11.8 -10.7 18.8 54 54 A V G 3 S+ 0 0 92 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.669 95.2 53.7 -61.1 -16.7 -15.0 -11.9 17.1 55 55 A L G <> S+ 0 0 0 -3,-2.7 4,-1.5 1,-0.1 -1,-0.3 0.575 86.3 86.1 -90.9 -7.6 -13.4 -10.8 13.7 56 56 A S H <> S+ 0 0 7 -3,-1.9 4,-1.8 -4,-0.3 3,-0.2 0.928 85.0 47.3 -65.5 -47.5 -10.2 -12.8 14.1 57 57 A N H > S+ 0 0 129 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.884 109.7 51.6 -66.2 -39.8 -11.1 -16.2 12.7 58 58 A E H > S+ 0 0 13 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.840 105.9 55.6 -70.3 -28.9 -12.8 -14.9 9.6 59 59 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.2 -1,-0.2 0.923 108.6 48.7 -65.5 -40.0 -9.8 -12.8 8.7 60 60 A E H X S+ 0 0 97 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.911 109.4 52.4 -64.7 -38.9 -7.7 -15.9 8.9 61 61 A E H X S+ 0 0 88 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.901 105.9 54.2 -61.9 -42.3 -10.2 -17.8 6.7 62 62 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.896 104.2 55.9 -58.4 -40.9 -10.0 -15.0 4.1 63 63 A Q H X S+ 0 0 50 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.893 107.0 48.9 -58.2 -42.2 -6.2 -15.5 4.0 64 64 A Q H X S+ 0 0 109 -4,-1.7 4,-1.6 1,-0.2 3,-0.2 0.933 111.9 49.3 -59.4 -46.5 -6.7 -19.2 3.2 65 65 A L H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.833 104.8 58.2 -62.8 -35.8 -9.2 -18.2 0.4 66 66 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.852 104.1 52.0 -68.7 -33.3 -6.8 -15.7 -1.0 67 67 A F H X S+ 0 0 134 -4,-1.5 4,-2.5 -3,-0.2 -1,-0.2 0.917 108.1 51.5 -61.9 -41.7 -4.2 -18.4 -1.5 68 68 A D H X S+ 0 0 85 -4,-1.6 4,-1.5 1,-0.2 17,-0.3 0.927 113.1 45.8 -62.8 -41.7 -6.8 -20.5 -3.4 69 69 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.929 110.1 52.6 -65.1 -44.3 -7.5 -17.4 -5.6 70 70 A G H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.894 104.4 58.2 -58.8 -40.4 -3.9 -16.7 -6.2 71 71 A H H < S+ 0 0 72 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.926 108.3 44.4 -52.7 -51.3 -3.4 -20.3 -7.3 72 72 A D H >< S+ 0 0 2 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.858 110.0 54.8 -67.9 -33.9 -5.9 -20.0 -10.0 73 73 A L H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.5 51.8 -65.1 -31.7 -4.6 -16.6 -11.2 74 74 A A T 3< S+ 0 0 9 -4,-1.9 -58,-1.8 -3,-0.2 -1,-0.3 0.468 97.7 84.6 -79.6 -4.3 -1.1 -18.2 -11.6 75 75 A T S < S- 0 0 0 -3,-1.2 -58,-0.1 -4,-0.3 -1,-0.0 -0.888 77.6-131.8-108.5 116.6 -2.6 -21.0 -13.7 76 76 A P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 6,-0.2 -0.367 19.3-126.4 -61.0 143.6 -3.1 -20.6 -17.5 77 77 A A T 3 S+ 0 0 47 69,-0.6 7,-0.1 1,-0.3 70,-0.1 0.740 109.9 47.5 -64.4 -25.1 -6.5 -21.7 -18.6 78 78 A D T 3 S+ 0 0 132 68,-0.1 2,-1.0 5,-0.1 -1,-0.3 0.179 75.9 124.1-102.2 15.1 -4.9 -24.0 -21.2 79 79 A D X - 0 0 30 -3,-1.6 3,-1.6 1,-0.2 -62,-0.0 -0.680 46.7-161.2 -78.2 105.7 -2.3 -25.7 -18.9 80 80 A E T 3 S+ 0 0 85 -2,-1.0 -1,-0.2 1,-0.3 -63,-0.0 0.747 84.8 52.1 -61.4 -28.0 -3.1 -29.4 -19.3 81 81 A R T 3 S+ 0 0 83 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.523 110.0 46.1 -90.4 -5.2 -1.3 -30.4 -16.1 82 82 A H < - 0 0 76 -3,-1.6 2,-0.3 -6,-0.2 -3,-0.1 -0.999 65.5-163.4-141.1 138.9 -3.0 -28.0 -13.7 83 83 A S - 0 0 97 -2,-0.4 2,-0.3 -5,-0.1 -6,-0.1 -0.812 31.3 -94.3-108.6-178.5 -6.7 -27.1 -13.2 84 84 A F + 0 0 77 -2,-0.3 -12,-0.0 1,-0.1 -13,-0.0 -0.555 36.5 177.4 -88.4 136.0 -8.6 -24.3 -11.5 85 85 A K + 0 0 80 -17,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.491 44.4 101.0-117.2 -12.9 -9.7 -25.2 -8.0 86 86 A F - 0 0 11 -18,-0.3 2,-0.5 -17,-0.1 64,-0.2 -0.681 45.5-174.2 -83.8 128.2 -11.4 -22.1 -6.7 87 87 A K - 0 0 110 -2,-0.5 3,-0.2 1,-0.1 61,-0.0 -0.973 12.1-157.2-116.2 124.7 -15.2 -22.2 -6.7 88 88 A Q > + 0 0 43 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.721 69.0 86.8 -74.3 -29.0 -16.9 -19.0 -5.7 89 89 A E H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 95.8 30.6 -44.3 -64.3 -20.3 -20.3 -4.6 90 90 A Q H > S+ 0 0 89 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.951 121.4 48.1 -69.8 -48.2 -19.8 -21.1 -1.0 91 91 A P H > S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.873 114.0 48.5 -59.1 -36.7 -17.1 -18.5 -0.1 92 92 A T H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.914 110.4 49.5 -74.2 -37.4 -19.1 -15.8 -1.7 93 93 A V H X S+ 0 0 81 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.894 109.5 54.1 -57.6 -45.4 -22.3 -16.7 0.1 94 94 A W H X S+ 0 0 76 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.930 109.2 46.7 -58.2 -43.8 -20.3 -16.8 3.3 95 95 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.909 110.8 53.2 -63.1 -45.7 -19.1 -13.2 2.6 96 96 A E H X S+ 0 0 72 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.886 105.4 53.0 -60.7 -38.0 -22.7 -12.1 1.8 97 97 A E H X S+ 0 0 74 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.913 111.7 46.5 -63.4 -40.8 -24.1 -13.5 5.0 98 98 A K H X S+ 0 0 44 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.921 111.6 51.1 -62.9 -46.3 -21.4 -11.5 6.9 99 99 A I H X S+ 0 0 26 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.938 111.9 47.3 -58.5 -46.9 -22.2 -8.4 4.9 100 100 A D H X S+ 0 0 111 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.936 114.7 46.1 -57.8 -48.8 -25.9 -8.7 5.6 101 101 A N H X S+ 0 0 84 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.948 115.7 44.4 -62.8 -46.8 -25.4 -9.3 9.3 102 102 A Y H X S+ 0 0 9 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.875 112.2 52.7 -70.2 -32.1 -22.9 -6.4 9.7 103 103 A T H < S+ 0 0 86 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.919 110.6 49.1 -66.6 -38.9 -25.0 -4.1 7.7 104 104 A Q H < S+ 0 0 83 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.887 111.7 47.3 -65.2 -40.6 -28.0 -4.8 9.9 105 105 A V H < S+ 0 0 55 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.794 98.4 72.9 -79.5 -30.0 -26.3 -4.3 13.2 106 106 A V S < S- 0 0 11 -4,-1.5 62,-0.1 -5,-0.2 2,-0.1 -0.412 99.9 -79.0 -86.7 164.4 -24.5 -1.0 12.6 107 107 A P - 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