==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JAN-08 3BW8 . COMPND 2 MOLECULE: MONO-ADP-RIBOSYLTRANSFERASE C3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM LIMOSUM; . AUTHOR M.VOGELSGESANG,B.STIEGLITZ,C.HERRMANN,A.PAUTSCH,K.AKTORIES . 406 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 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 . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 0 0 2 2 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 6 2 0 4 0 0 4 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 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 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 96 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.5 7.8 -11.5 47.5 2 2 A Y T 3 + 0 0 48 1,-0.3 4,-0.1 153,-0.0 152,-0.0 0.513 360.0 63.3 -82.8 0.5 5.6 -12.0 44.5 3 3 A A T 3 S+ 0 0 101 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.603 87.5 91.8 -96.5 -10.2 3.3 -14.2 46.5 4 4 A D S < S- 0 0 105 -3,-1.0 2,-0.1 1,-0.2 0, 0.0 -0.073 93.3 -76.8 -69.9 177.4 2.5 -11.3 48.7 5 5 A S - 0 0 107 78,-0.0 2,-0.4 2,-0.0 78,-0.2 -0.475 40.0-162.6 -80.0 152.5 -0.5 -9.1 48.0 6 6 A F - 0 0 30 -2,-0.1 2,-0.4 -3,-0.1 78,-0.3 -0.999 23.4-120.7-133.7 129.6 -0.5 -6.4 45.3 7 7 A K B -a 84 0A 66 76,-2.4 78,-2.3 -2,-0.4 2,-0.6 -0.560 27.1-165.1 -67.8 128.3 -3.1 -3.6 45.1 8 8 A E - 0 0 89 -2,-0.4 2,-0.2 76,-0.2 130,-0.1 -0.940 9.1-146.4-120.0 111.4 -5.0 -3.7 41.9 9 9 A F + 0 0 2 -2,-0.6 130,-0.4 128,-0.5 3,-0.1 -0.533 32.3 156.9 -76.9 143.4 -7.0 -0.6 41.1 10 10 A T + 0 0 106 -2,-0.2 2,-0.7 128,-0.1 -1,-0.2 0.459 55.9 84.2-133.2 -24.1 -10.3 -0.9 39.2 11 11 A N > - 0 0 85 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.771 66.2-154.0 -89.5 110.2 -11.9 2.4 40.3 12 12 A I H > S+ 0 0 79 -2,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.803 92.0 47.4 -53.9 -36.0 -10.8 5.2 38.0 13 13 A D H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 110.8 47.4 -77.6 -40.6 -11.4 7.9 40.6 14 14 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 116.1 49.0 -63.7 -41.1 -9.7 6.2 43.6 15 15 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.926 110.7 48.0 -62.1 -51.1 -6.7 5.5 41.2 16 16 A R H X S+ 0 0 77 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.918 112.9 49.1 -60.7 -40.2 -6.6 9.0 39.9 17 17 A A H X S+ 0 0 54 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.896 112.0 47.8 -63.2 -45.7 -6.7 10.5 43.5 18 18 A W H X S+ 0 0 52 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 115.4 45.1 -60.7 -47.1 -3.9 8.1 44.8 19 19 A G H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.935 109.9 53.5 -67.2 -43.4 -1.7 8.9 41.8 20 20 A D H X S+ 0 0 71 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.927 110.4 49.1 -57.7 -40.7 -2.3 12.6 42.0 21 21 A K H X S+ 0 0 167 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.918 111.3 48.9 -67.8 -41.9 -1.2 12.5 45.6 22 22 A Q H X S+ 0 0 24 -4,-2.2 4,-1.3 1,-0.2 3,-0.2 0.953 108.0 54.1 -60.0 -49.5 1.9 10.5 44.8 23 23 A F H >X S+ 0 0 24 -4,-3.1 3,-0.7 1,-0.2 4,-0.7 0.920 105.7 52.9 -54.9 -43.4 2.9 12.9 42.0 24 24 A A H >< S+ 0 0 67 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.924 106.0 55.0 -58.9 -38.3 2.8 15.9 44.3 25 25 A K H 3< S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.740 92.7 70.3 -69.8 -23.9 5.1 14.1 46.8 26 26 A Y H << S- 0 0 10 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.822 81.7-155.1 -62.0 -33.7 7.9 13.5 44.3 27 27 A K << - 0 0 157 -3,-1.0 -3,-0.1 -4,-0.7 -2,-0.1 0.945 20.1-165.0 54.9 49.9 8.8 17.2 44.1 28 28 A L - 0 0 14 -5,-0.4 -1,-0.1 1,-0.1 46,-0.0 -0.332 18.0-110.6 -66.7 150.0 10.2 16.8 40.6 29 29 A S > - 0 0 41 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.276 26.1-110.0 -72.8 162.0 12.4 19.5 39.2 30 30 A S H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 121.8 51.5 -58.4 -42.0 11.2 21.7 36.3 31 31 A S H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.854 109.5 48.2 -65.8 -35.3 13.8 20.0 34.1 32 32 A E H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 112.2 49.1 -68.8 -46.9 12.6 16.5 35.1 33 33 A K H X S+ 0 0 80 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.901 110.8 50.7 -57.4 -45.3 9.0 17.4 34.5 34 34 A N H X S+ 0 0 92 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.912 111.0 48.5 -57.9 -50.1 9.9 18.9 31.1 35 35 A A H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 111.4 49.3 -59.9 -43.2 11.7 15.7 30.1 36 36 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 110.1 51.6 -64.2 -37.7 8.8 13.5 31.2 37 37 A T H X S+ 0 0 33 -4,-2.3 4,-1.9 -5,-0.2 131,-0.3 0.947 109.5 49.9 -63.7 -43.8 6.4 15.7 29.2 38 38 A I H X S+ 0 0 57 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.922 108.7 53.3 -60.4 -41.1 8.6 15.3 26.1 39 39 A Y H < S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.930 108.9 48.6 -58.9 -47.6 8.6 11.6 26.7 40 40 A T H < S+ 0 0 10 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.826 103.9 60.2 -65.9 -31.3 4.8 11.4 26.8 41 41 A R H < S- 0 0 151 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.902 133.6 -3.7 -63.7 -39.0 4.5 13.5 23.6 42 42 A N >X + 0 0 78 -4,-1.5 3,-1.3 -3,-0.4 4,-0.5 -0.512 66.2 175.6-156.9 76.6 6.4 10.9 21.6 43 43 A A H >> S+ 0 0 25 -3,-0.4 4,-3.1 1,-0.3 3,-1.7 0.860 79.4 63.3 -54.5 -40.7 7.8 8.0 23.6 44 44 A A H 3> S+ 0 0 59 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.772 91.4 66.3 -58.1 -26.0 9.1 6.2 20.5 45 45 A R H <4 S+ 0 0 61 -3,-1.3 -1,-0.3 -6,-0.2 -2,-0.2 0.796 116.0 27.7 -64.5 -25.8 11.5 9.1 19.8 46 46 A I H S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.816 113.7 55.6 -55.9 -36.4 17.2 5.0 20.2 50 50 A L H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.3 0.936 109.4 46.5 -61.8 -42.9 17.4 3.4 23.7 51 51 A R H ><5S+ 0 0 111 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.925 109.9 53.1 -66.4 -39.1 16.6 0.0 22.2 52 52 A A H 3<5S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 115.5 40.9 -65.7 -29.4 19.1 0.4 19.3 53 53 A N T ><5S- 0 0 12 -4,-1.4 3,-2.6 -5,-0.2 -1,-0.3 0.298 105.2-125.1-103.3 8.3 21.8 1.2 21.8 54 54 A Q T < 5S- 0 0 84 -3,-1.3 -3,-0.2 -4,-0.3 3,-0.1 0.903 77.7 -50.4 44.7 48.3 20.9 -1.4 24.4 55 55 A G T 3 S+ 0 0 37 -2,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.754 80.8 71.7 -61.8 -22.8 23.7 6.5 26.4 58 58 A N G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -5,-0.1 7,-0.1 0.771 95.0 55.6 -63.0 -26.4 26.8 7.3 24.4 59 59 A G G < S+ 0 0 0 -3,-1.5 -1,-0.3 -6,-0.1 -2,-0.2 0.466 87.9 96.3 -86.6 -3.0 25.0 6.1 21.2 60 60 A L S < S- 0 0 1 -3,-1.6 152,-0.1 -4,-0.2 228,-0.0 -0.621 86.8-104.3 -86.0 149.1 22.1 8.5 21.7 61 61 A P > - 0 0 4 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.355 44.4-105.6 -59.5 152.6 21.9 11.8 19.8 62 62 A A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 117.1 52.4 -54.8 -44.8 22.7 14.5 22.4 63 63 A D H > S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 113.1 44.6 -60.5 -39.3 19.2 15.8 22.8 64 64 A I H > S+ 0 0 3 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.905 111.0 55.2 -70.1 -41.4 17.8 12.4 23.5 65 65 A R H X S+ 0 0 65 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.895 107.7 48.0 -56.8 -46.9 20.6 11.6 25.8 66 66 A K H X S+ 0 0 121 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.857 110.9 51.8 -62.9 -36.3 19.9 14.7 28.0 67 67 A E H X S+ 0 0 24 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.916 110.1 48.9 -67.8 -42.6 16.2 13.8 28.1 68 68 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.903 107.7 54.7 -63.5 -42.8 17.1 10.3 29.3 69 69 A E H X S+ 0 0 100 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.890 110.8 46.0 -57.2 -40.4 19.4 11.6 31.9 70 70 A Q H X S+ 0 0 54 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.854 113.2 47.9 -72.1 -39.5 16.6 13.8 33.3 71 71 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.932 112.0 50.1 -66.8 -41.6 14.0 11.0 33.3 72 72 A D H >X S+ 0 0 52 -4,-3.0 3,-0.5 1,-0.2 4,-0.5 0.942 111.3 49.9 -60.7 -41.6 16.6 8.8 35.0 73 73 A K H >< S+ 0 0 109 -4,-2.0 3,-1.7 -5,-0.3 4,-0.3 0.911 103.3 59.8 -62.7 -39.9 17.1 11.6 37.5 74 74 A S H >X S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 4,-0.6 0.838 96.8 61.7 -57.6 -31.7 13.3 11.8 38.0 75 75 A F H << S+ 0 0 4 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.680 85.7 72.0 -73.0 -16.0 13.3 8.1 39.1 76 76 A T T << S+ 0 0 93 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.665 109.2 37.5 -66.5 -12.9 15.6 8.9 42.1 77 77 A K T <4 S+ 0 0 90 -3,-1.6 2,-0.6 -4,-0.3 -2,-0.2 0.550 105.8 77.0-109.9 -16.5 12.4 10.6 43.4 78 78 A M < + 0 0 0 -4,-0.6 82,-1.6 83,-0.1 2,-0.3 -0.871 48.8 142.4-111.2 110.5 9.7 8.2 42.2 79 79 A Q B -I 159 0B 77 -2,-0.6 80,-0.2 80,-0.3 79,-0.1 -0.954 51.8-107.4-135.1 155.7 9.0 4.9 43.8 80 80 A T - 0 0 7 78,-2.4 77,-2.8 -2,-0.3 78,-0.1 -0.676 21.3-150.4 -81.3 139.1 5.9 2.9 44.5 81 81 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 75,-0.1 0.289 77.1 21.9 -89.3 6.2 4.9 3.1 48.2 82 82 A E S S- 0 0 58 73,-0.1 2,-0.2 76,-0.1 75,-0.1 -0.983 97.5 -78.3-163.9 161.1 3.2 -0.3 48.1 83 83 A N + 0 0 31 -2,-0.3 -76,-2.4 -78,-0.2 2,-0.3 -0.501 63.3 171.5 -64.6 129.4 3.0 -3.6 46.1 84 84 A I E -aB 7 154A 3 70,-2.9 70,-2.8 -78,-0.3 2,-0.4 -0.967 35.7-125.8-142.2 158.9 0.9 -2.7 43.1 85 85 A I E - B 0 153A 9 -78,-2.3 -76,-0.4 -2,-0.3 2,-0.4 -0.881 25.1-167.7-102.2 138.5 -0.2 -4.1 39.8 86 86 A L E - B 0 152A 1 66,-1.9 66,-2.8 -2,-0.4 2,-0.4 -0.949 9.1-146.0-122.2 143.9 0.4 -2.0 36.6 87 87 A F E -CB 136 151A 3 49,-3.5 49,-2.5 -2,-0.4 2,-0.4 -0.863 15.0-178.2-113.8 151.0 -1.1 -2.7 33.3 88 88 A R E - B 0 150A 65 62,-2.2 62,-2.7 -2,-0.4 2,-0.4 -0.999 15.5-146.5-145.2 139.9 0.2 -2.2 29.8 89 89 A G E - B 0 149A 2 -2,-0.4 2,-0.3 60,-0.2 60,-0.2 -0.862 23.1-179.1-105.1 142.1 -1.2 -2.8 26.3 90 90 A D E - B 0 148A 15 58,-2.6 58,-1.4 -2,-0.4 -2,-0.0 -0.954 23.8-127.0-139.0 154.8 1.0 -4.0 23.5 91 91 A D > - 0 0 87 -2,-0.3 3,-2.5 56,-0.2 4,-0.3 -0.486 46.0 -93.2 -91.2 166.2 0.8 -4.8 19.7 92 92 A P G > S+ 0 0 22 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.788 117.9 77.3 -55.8 -28.2 2.1 -8.2 18.3 93 93 A G G > S+ 0 0 41 1,-0.3 3,-1.5 2,-0.2 7,-0.1 0.746 79.7 72.5 -49.6 -29.3 5.4 -6.5 17.6 94 94 A Y G < S+ 0 0 23 -3,-2.5 -1,-0.3 1,-0.3 6,-0.0 0.834 93.0 54.5 -57.5 -32.2 6.1 -6.9 21.3 95 95 A L G < S- 0 0 3 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.542 118.4-107.0 -82.1 -5.2 6.5 -10.6 20.7 96 96 A G X> - 0 0 20 -3,-1.5 4,-1.9 -4,-0.3 3,-1.7 -0.129 37.4 -67.7 99.6 162.9 9.2 -10.2 18.1 97 97 A P H 3> S+ 0 0 63 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.792 124.9 65.3 -60.4 -31.6 9.3 -10.5 14.3 98 98 A D H 34 S+ 0 0 78 1,-0.2 -2,-0.1 -3,-0.2 -3,-0.0 0.734 120.5 22.0 -62.6 -20.8 8.8 -14.3 14.4 99 99 A F H X> S+ 0 0 11 -3,-1.7 4,-2.1 -7,-0.1 3,-1.0 0.554 95.1 96.2-121.8 -18.5 5.4 -13.8 15.9 100 100 A E H 3< S+ 0 0 76 -4,-1.9 4,-0.2 1,-0.3 -7,-0.2 0.829 100.4 26.4 -42.9 -51.7 4.3 -10.3 14.9 101 101 A N T 3< S+ 0 0 144 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.373 123.7 50.5 -98.7 0.3 2.3 -11.3 11.8 102 102 A T T <4 S+ 0 0 66 -3,-1.0 12,-0.2 -10,-0.1 -2,-0.2 0.590 86.4 76.7-109.8 -20.7 1.4 -14.9 12.9 103 103 A I S < S+ 0 0 2 -4,-2.1 8,-3.4 11,-0.1 2,-0.4 0.802 89.4 61.9 -67.3 -26.5 -0.1 -14.6 16.4 104 104 A L B S-J 110 0C 59 6,-0.2 6,-0.2 -5,-0.2 5,-0.1 -0.841 78.3-133.1-103.6 138.5 -3.5 -13.2 15.3 105 105 A N > - 0 0 63 4,-3.6 3,-2.2 -2,-0.4 6,-0.1 -0.319 40.2 -97.2 -73.8 163.5 -6.0 -15.1 13.0 106 106 A R T 3 S+ 0 0 268 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.803 127.0 52.9 -55.2 -30.1 -7.4 -13.0 10.2 107 107 A D T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.462 124.5-102.4 -85.5 -0.7 -10.5 -12.3 12.3 108 108 A G S < S+ 0 0 26 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.401 79.1 131.2 97.1 -4.5 -8.4 -11.0 15.2 109 109 A T - 0 0 28 1,-0.1 -4,-3.6 -5,-0.1 2,-0.5 -0.395 68.9 -93.2 -75.7 159.4 -8.6 -14.1 17.4 110 110 A I B -J 104 0C 2 84,-2.2 2,-0.9 -6,-0.2 -6,-0.2 -0.635 33.6-124.4 -76.2 125.7 -5.4 -15.5 18.9 111 111 A N > - 0 0 43 -8,-3.4 4,-2.7 -2,-0.5 5,-0.2 -0.549 24.4-157.4 -69.4 106.3 -3.9 -18.3 16.7 112 112 A K H > S+ 0 0 102 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.887 86.6 50.8 -56.8 -44.8 -3.7 -21.0 19.3 113 113 A A H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.901 114.0 46.7 -64.3 -36.1 -1.0 -23.1 17.7 114 114 A V H >> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.913 106.1 58.5 -70.9 -39.3 1.2 -20.0 17.4 115 115 A F H 3X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.891 100.0 58.4 -55.4 -39.6 0.4 -19.0 21.0 116 116 A E H 3X S+ 0 0 101 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.894 106.7 47.3 -60.4 -35.6 1.9 -22.3 22.1 117 117 A Q H < S+ 0 0 30 -4,-2.5 3,-1.8 -5,-0.1 63,-0.3 0.659 87.8 108.9-109.5 -25.6 8.8 -16.6 26.8 123 123 A K T 3< S+ 0 0 88 -4,-3.2 63,-0.2 -5,-0.4 3,-0.1 -0.462 94.6 5.5 -67.2 125.3 7.1 -18.3 29.7 124 124 A G T 3 S+ 0 0 52 61,-3.4 2,-0.3 1,-0.3 -1,-0.3 0.558 107.6 112.6 84.9 8.0 9.3 -18.5 32.8 125 125 A K < - 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