==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-APR-03 1OG4 . COMPND 2 MOLECULE: T-CELL ECTO-ADP-RIBOSYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.RITTER,F.KOCH-NOLTE,V.E.MARQUEZ,G.E.SCHULZ . 223 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.0 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 0.4 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 4 A P 0 0 109 0, 0.0 2,-0.3 0, 0.0 128,-0.2 0.000 360.0 360.0 360.0 141.9 17.7 24.3 5.2 2 5 A L E -a 129 0A 83 126,-3.0 128,-3.4 125,-0.0 2,-0.3 -0.782 360.0-108.3-110.7 155.1 18.8 27.2 7.5 3 6 A M E -a 130 0A 105 -2,-0.3 2,-0.6 126,-0.2 128,-0.2 -0.611 21.4-158.4 -84.2 137.5 21.1 27.2 10.5 4 7 A L E +a 131 0A 5 126,-2.5 128,-1.7 -2,-0.3 130,-0.3 -0.934 42.2 117.0-118.4 103.6 19.6 27.7 14.0 5 8 A D S S- 0 0 47 -2,-0.6 133,-2.4 133,-0.4 128,-0.1 -0.484 81.1 -58.7-139.6-151.0 22.3 28.9 16.4 6 9 A T - 0 0 47 131,-0.3 131,-0.1 -2,-0.2 4,-0.1 0.337 67.0-122.6 -87.2 6.8 23.2 31.9 18.6 7 10 A A > + 0 0 12 131,-0.1 3,-1.1 1,-0.1 132,-0.0 0.957 39.1 179.0 50.0 62.6 23.2 34.3 15.5 8 11 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 132,-0.0 0.735 76.5 44.7 -65.9 -23.2 26.8 35.5 16.0 9 12 A N T 3 S+ 0 0 66 79,-0.1 82,-2.2 2,-0.1 81,-0.4 0.280 87.2 112.5-106.4 11.3 26.7 37.7 12.9 10 13 A A S < S- 0 0 3 -3,-1.1 2,-0.7 80,-0.2 207,-0.2 -0.680 75.2-117.2 -88.5 134.9 23.3 39.3 13.4 11 14 A F + 0 0 0 76,-2.3 180,-0.1 -2,-0.4 -2,-0.1 -0.600 45.9 165.8 -67.9 113.2 23.0 43.0 14.2 12 15 A D + 0 0 2 -2,-0.7 -1,-0.1 180,-0.1 128,-0.1 0.089 3.7 167.8-122.9 22.5 21.4 42.7 17.7 13 16 A D - 0 0 0 1,-0.2 206,-0.2 203,-0.1 179,-0.1 -0.043 16.2-178.8 -43.0 131.1 21.8 46.1 19.2 14 17 A Q - 0 0 3 204,-0.6 -1,-0.2 2,-0.1 205,-0.1 0.453 37.1-130.7-109.0 -10.3 19.7 46.6 22.4 15 18 A Y > - 0 0 2 1,-0.2 3,-1.3 203,-0.2 2,-0.5 0.883 32.5-175.5 61.3 45.7 20.8 50.2 22.8 16 19 A E T 3 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 -0.603 70.7 4.5 -76.9 119.1 21.8 50.0 26.5 17 20 A G T 3 S+ 0 0 89 -2,-0.5 -1,-0.3 202,-0.0 4,-0.1 0.627 121.9 70.7 85.4 14.1 22.8 53.4 27.7 18 21 A a <> + 0 0 10 -3,-1.3 4,-2.3 2,-0.1 5,-0.2 0.299 47.5 110.9-146.4 17.6 22.0 55.3 24.6 19 22 A V H > S+ 0 0 32 -4,-0.5 4,-3.2 1,-0.2 5,-0.2 0.914 86.1 51.9 -61.9 -38.8 18.2 55.6 23.9 20 23 A N H > S+ 0 0 140 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.937 112.2 44.4 -61.2 -47.4 18.3 59.4 24.7 21 24 A K H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.828 116.0 49.0 -67.2 -31.1 21.2 59.9 22.2 22 25 A M H X S+ 0 0 0 -4,-2.3 4,-4.4 2,-0.2 -2,-0.2 0.950 103.2 56.8 -73.4 -49.9 19.5 57.7 19.6 23 26 A E H < S+ 0 0 51 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.732 114.9 43.5 -52.5 -21.4 16.0 59.4 19.9 24 27 A E H < S+ 0 0 133 -4,-0.8 4,-0.3 -5,-0.2 -1,-0.3 0.805 122.9 34.1 -93.6 -35.1 17.9 62.5 19.0 25 28 A K H >X S+ 0 0 69 -4,-1.6 4,-1.9 1,-0.1 3,-0.6 0.701 101.4 75.8 -94.1 -22.9 20.1 61.1 16.2 26 29 A A H 3X S+ 0 0 0 -4,-4.4 4,-2.5 1,-0.2 5,-0.2 0.814 85.3 64.1 -60.7 -34.1 17.7 58.5 14.7 27 30 A P H 3> S+ 0 0 45 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.893 108.5 40.3 -59.0 -38.4 15.7 61.2 12.9 28 31 A L H <> S+ 0 0 111 -3,-0.6 4,-1.9 -4,-0.3 -2,-0.2 0.889 113.2 56.2 -74.8 -39.9 18.6 62.1 10.7 29 32 A L H X S+ 0 0 7 -4,-1.9 4,-2.4 1,-0.2 72,-0.4 0.849 101.6 56.3 -59.5 -37.2 19.6 58.4 10.4 30 33 A L H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 106.1 51.0 -63.5 -39.8 16.1 57.6 9.0 31 34 A Q H X S+ 0 0 129 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.912 110.1 49.4 -63.1 -42.4 16.7 60.1 6.3 32 35 A E H < S+ 0 0 107 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.875 109.7 51.5 -64.9 -37.6 20.0 58.6 5.5 33 36 A D H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.935 111.3 48.6 -63.5 -44.6 18.4 55.1 5.4 34 37 A F H >< S+ 0 0 33 -4,-2.5 3,-1.9 1,-0.3 7,-0.2 0.897 101.4 61.3 -61.2 -45.7 15.8 56.5 3.0 35 38 A N T 3< S+ 0 0 112 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.633 118.6 31.0 -58.9 -12.9 18.3 58.1 0.7 36 39 A M T < S+ 0 0 121 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.081 117.0 55.0-134.9 26.7 19.7 54.7 0.1 37 40 A N <> + 0 0 22 -3,-1.9 4,-2.2 1,-0.1 3,-0.2 -0.492 50.7 175.1-161.0 79.5 16.7 52.4 0.4 38 41 A A H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.908 82.4 56.7 -54.3 -48.9 13.7 53.2 -1.8 39 42 A K H > S+ 0 0 147 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 109.1 46.9 -51.5 -45.4 11.8 50.1 -0.7 40 43 A L H > S+ 0 0 0 -3,-0.2 4,-3.6 2,-0.2 5,-0.3 0.942 109.0 53.0 -63.6 -50.0 12.0 51.2 2.9 41 44 A K H X S+ 0 0 90 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.939 114.2 43.2 -51.2 -50.5 11.0 54.8 2.3 42 45 A V H X S+ 0 0 74 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.935 114.2 49.9 -61.4 -47.6 7.9 53.6 0.4 43 46 A A H X S+ 0 0 16 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.910 114.6 45.6 -57.7 -43.4 7.2 51.0 3.1 44 47 A W H X S+ 0 0 22 -4,-3.6 4,-2.9 2,-0.2 5,-0.2 0.945 108.3 54.4 -66.5 -50.0 7.5 53.6 5.8 45 48 A E H X S+ 0 0 97 -4,-3.2 4,-1.2 -5,-0.3 -1,-0.2 0.891 112.4 45.4 -52.9 -40.3 5.4 56.3 4.0 46 49 A E H X S+ 0 0 117 -4,-2.2 4,-1.7 -5,-0.2 3,-0.3 0.919 111.8 51.3 -69.8 -42.0 2.6 53.8 3.7 47 50 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.862 103.3 59.6 -63.0 -36.4 3.0 52.7 7.4 48 51 A K H X S+ 0 0 67 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.894 104.9 49.6 -59.9 -39.9 2.9 56.3 8.5 49 52 A K H X S+ 0 0 136 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.2 0.936 112.4 46.1 -64.6 -47.5 -0.6 56.7 7.0 50 53 A R H >X S+ 0 0 80 -4,-1.7 4,-1.8 1,-0.2 3,-0.6 0.939 110.4 55.1 -59.8 -47.0 -1.9 53.5 8.7 51 54 A W H 3X S+ 0 0 1 -4,-3.0 4,-3.5 1,-0.3 -1,-0.2 0.893 100.8 57.9 -53.5 -45.3 -0.3 54.6 12.0 52 55 A N H 3< S+ 0 0 71 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.890 109.7 45.8 -53.8 -39.4 -2.2 57.9 11.9 53 56 A N H << S+ 0 0 131 -4,-1.3 4,-0.3 -3,-0.6 -1,-0.2 0.809 116.6 43.8 -74.1 -31.1 -5.4 55.9 11.7 54 57 A I H >< S+ 0 0 13 -4,-1.8 3,-1.7 -3,-0.2 4,-0.5 0.912 98.3 73.0 -78.8 -45.4 -4.4 53.5 14.5 55 58 A K G >< S+ 0 0 91 -4,-3.5 3,-0.8 1,-0.3 -2,-0.1 0.754 91.2 55.3 -39.4 -45.5 -2.9 56.1 16.9 56 59 A P G 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.769 95.7 66.6 -65.0 -28.3 -6.3 57.6 18.1 57 60 A S G < S+ 0 0 83 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.713 110.0 16.5 -69.3 -22.3 -7.9 54.3 19.2 58 61 A R S < S- 0 0 115 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.0 -0.923 72.5-111.8-146.2 169.7 -5.5 53.7 22.1 59 62 A S - 0 0 108 -2,-0.3 -2,-0.0 -3,-0.0 -4,-0.0 -0.742 31.8-149.9-101.8 153.3 -2.9 55.3 24.4 60 63 A Y - 0 0 40 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 -0.888 28.6 -76.7-126.2 156.9 0.8 54.3 24.3 61 64 A P > - 0 0 45 0, 0.0 3,-2.6 0, 0.0 2,-0.2 -0.024 62.8 -85.5 -46.7 147.3 3.7 54.1 26.7 62 65 A K T 3 S+ 0 0 182 1,-0.3 3,-0.1 50,-0.1 0, 0.0 -0.391 120.7 22.9 -59.0 122.0 5.4 57.4 27.8 63 66 A G T 3 S+ 0 0 37 1,-0.2 2,-1.3 -2,-0.2 -1,-0.3 0.324 84.2 133.8 101.7 -7.4 8.0 58.2 25.1 64 67 A F < + 0 0 18 -3,-2.6 -1,-0.2 -4,-0.1 -4,-0.1 -0.647 36.5 178.7 -80.1 95.9 6.3 56.1 22.4 65 68 A N > - 0 0 48 -2,-1.3 4,-2.3 -3,-0.1 3,-0.1 -0.196 45.9 -89.2 -90.4-176.8 6.4 58.4 19.5 66 69 A D H > S+ 0 0 56 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.757 123.3 61.3 -65.2 -26.7 5.2 58.2 15.9 67 70 A F H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.948 107.8 43.4 -63.9 -48.6 8.6 56.8 14.8 68 71 A H H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.951 117.1 47.3 -60.2 -51.1 8.1 53.8 17.1 69 72 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 114.4 44.8 -56.8 -51.9 4.5 53.4 16.0 70 73 A T H X S+ 0 0 1 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.906 111.4 53.5 -61.6 -42.8 5.3 53.7 12.3 71 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.916 110.6 46.8 -58.3 -44.8 8.3 51.3 12.5 72 75 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.870 112.6 49.0 -67.2 -37.5 6.2 48.6 14.2 73 76 A V H < S+ 0 0 0 -4,-2.0 3,-0.3 -5,-0.2 107,-0.2 0.933 110.9 51.1 -67.4 -43.7 3.4 49.0 11.7 74 77 A A H ><>S+ 0 0 3 -4,-2.8 3,-1.9 1,-0.2 5,-0.7 0.868 103.3 59.3 -60.9 -38.5 5.8 48.8 8.8 75 78 A Y H 3<5S+ 0 0 9 -4,-2.0 5,-0.3 1,-0.3 -1,-0.2 0.893 99.8 54.6 -59.9 -40.5 7.3 45.6 10.2 76 79 A T T 3<5S+ 0 0 34 -4,-1.3 104,-0.4 -3,-0.3 -1,-0.3 0.399 107.6 77.0 -72.6 6.7 4.0 43.9 10.0 77 80 A G T X 5S- 0 0 25 -3,-1.9 3,-0.5 -5,-0.1 4,-0.2 -0.084 108.3 -81.3 -98.5-158.7 4.2 45.0 6.4 78 81 A S T > 5S+ 0 0 118 1,-0.2 3,-0.5 2,-0.1 4,-0.5 0.533 115.0 75.5 -86.5 -7.7 6.2 43.7 3.4 79 82 A I T 3> S+ 0 0 14 -3,-0.5 4,-2.5 -6,-0.5 5,-0.2 0.846 82.8 53.8 -51.5 -45.3 10.0 42.8 7.0 81 84 A V H <> S+ 0 0 113 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.967 112.0 41.1 -59.8 -56.1 11.7 40.2 4.8 82 85 A D H > S+ 0 0 50 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.802 115.7 53.7 -63.8 -27.1 14.4 42.5 3.4 83 86 A F H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.909 108.5 46.3 -73.1 -44.5 14.9 44.0 6.9 84 87 A N H X S+ 0 0 16 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.904 112.6 52.6 -62.9 -40.9 15.4 40.7 8.6 85 88 A R H X S+ 0 0 80 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.906 108.7 49.4 -60.4 -44.3 17.8 39.6 5.9 86 89 A A H < S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 115.1 44.0 -63.9 -38.9 19.8 42.8 6.3 87 90 A V H >< S+ 0 0 0 -4,-2.0 -76,-2.3 1,-0.2 3,-1.4 0.906 111.6 52.9 -71.8 -44.8 20.0 42.3 10.1 88 91 A R H 3< S+ 0 0 109 -4,-3.0 3,-0.2 1,-0.3 -2,-0.2 0.858 116.5 38.5 -59.4 -40.3 20.8 38.6 9.8 89 92 A E T 3X S+ 0 0 78 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.3 -0.107 82.0 120.1-105.0 34.6 23.7 39.2 7.4 90 93 A F T <4 + 0 0 5 -3,-1.4 6,-0.2 -81,-0.4 -80,-0.2 0.974 69.8 51.1 -62.0 -60.4 25.0 42.3 9.1 91 94 A K T 4 S+ 0 0 103 -82,-2.2 -1,-0.2 -4,-0.3 -81,-0.1 0.786 100.8 68.8 -49.7 -33.3 28.5 41.2 10.1 92 95 A E T 4 S- 0 0 106 -83,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.972 128.0 -6.3 -50.3 -78.5 29.1 40.1 6.5 93 96 A N S >< S+ 0 0 83 -4,-0.9 3,-2.3 1,-0.1 -1,-0.2 -0.616 72.0 176.9-122.2 71.4 29.1 43.5 4.8 94 97 A P T 3 S+ 0 0 59 0, 0.0 3,-0.4 0, 0.0 -3,-0.1 0.320 70.5 75.9 -57.8 9.6 28.2 45.9 7.6 95 98 A G T 3 S+ 0 0 55 1,-0.2 -5,-0.0 -5,-0.1 -3,-0.0 0.660 88.4 55.6 -95.6 -18.7 28.7 48.8 5.2 96 99 A Q S < S+ 0 0 116 -3,-2.3 2,-0.9 -6,-0.2 -1,-0.2 -0.211 70.9 126.4-107.0 41.2 25.4 48.3 3.4 97 100 A F + 0 0 3 -3,-0.4 3,-0.4 1,-0.1 2,-0.3 -0.834 25.9 171.1-103.1 99.2 23.0 48.4 6.3 98 101 A H + 0 0 27 -2,-0.9 -62,-0.1 1,-0.2 -1,-0.1 -0.331 62.2 78.4-103.7 49.3 20.3 51.0 5.5 99 102 A Y > + 0 0 4 -2,-0.3 4,-3.3 2,-0.1 5,-0.3 -0.088 51.7 124.0-141.3 27.1 18.1 50.2 8.5 100 103 A K H > S+ 0 0 38 -3,-0.4 4,-1.5 2,-0.2 -70,-0.1 0.953 84.6 30.7 -58.4 -54.5 20.1 52.1 11.1 101 104 A A H > S+ 0 0 0 -72,-0.4 4,-2.6 2,-0.2 5,-0.2 0.917 120.2 55.1 -71.9 -41.4 17.2 54.3 12.3 102 105 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.925 106.9 49.3 -57.1 -48.7 14.6 51.6 11.5 103 106 A H H X S+ 0 0 3 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.929 112.0 49.1 -57.3 -47.7 16.3 49.0 13.6 104 107 A Y H X S+ 0 0 0 -4,-1.5 4,-3.0 -5,-0.3 -2,-0.2 0.941 112.6 46.4 -57.9 -51.3 16.6 51.3 16.5 105 108 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.875 114.3 45.9 -61.4 -41.8 12.9 52.5 16.4 106 109 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.909 114.7 49.2 -68.1 -40.2 11.5 49.0 16.0 107 110 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.925 113.6 46.0 -62.6 -45.5 13.8 47.8 18.8 108 111 A R H X S+ 0 0 57 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.879 107.3 58.0 -66.5 -38.6 12.7 50.7 21.0 109 112 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.933 108.4 45.8 -57.6 -47.1 9.0 50.1 20.2 110 113 A L H X S+ 0 0 3 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.867 112.6 50.1 -66.3 -35.9 9.2 46.6 21.5 111 114 A Q H < S+ 0 0 47 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.904 111.0 48.6 -68.9 -40.4 11.1 47.6 24.7 112 115 A L H < S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 117.5 41.8 -66.9 -33.4 8.6 50.4 25.5 113 116 A L H < S+ 0 0 35 -4,-1.8 -1,-0.2 -5,-0.2 61,-0.2 0.527 96.6 109.0 -90.3 -7.5 5.7 48.0 25.0 114 117 A S < 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