==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-DEC-05 2C8D . COMPND 2 MOLECULE: MONO-ADP-RIBOSYLTRANSFERASE C3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR E.A.STURA,J.MENETREY,G.FLATAU,P.BOQUET,A.MENEZ . 815 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 64 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 3 6 0 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 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 0 PARALLEL BRIDGES PER LADDER . 13 4 0 8 0 0 7 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 . 0 0 0 0 0 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 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 44 A N 0 0 113 0, 0.0 2,-0.4 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0-172.4 60.3 10.0 30.2 2 45 A T - 0 0 129 78,-0.0 2,-0.5 2,-0.0 78,-0.2 -0.862 360.0-153.2-100.7 136.0 57.6 7.8 31.8 3 46 A Y - 0 0 46 -2,-0.4 78,-0.3 76,-0.1 2,-0.1 -0.937 20.1-120.3-116.3 116.4 54.6 9.3 33.4 4 47 A Q B -a 81 0A 66 76,-1.8 78,-2.7 -2,-0.5 2,-0.6 -0.304 27.9-167.6 -54.1 118.3 52.7 7.5 36.2 5 48 A E - 0 0 86 76,-0.2 2,-0.2 -2,-0.1 130,-0.1 -0.953 15.9-137.2-114.6 111.7 49.1 7.0 35.2 6 49 A F + 0 0 6 128,-0.6 3,-0.1 -2,-0.6 613,-0.0 -0.488 23.0 177.7 -66.4 129.1 46.8 5.8 38.1 7 50 A T + 0 0 36 -2,-0.2 613,-3.4 1,-0.2 2,-0.4 0.241 63.9 59.1-114.3 7.6 44.4 3.1 36.9 8 51 A N > - 0 0 13 611,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.977 67.7-145.9-144.9 124.3 42.7 2.5 40.2 9 52 A I H > S+ 0 0 44 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.899 101.6 49.7 -54.1 -48.4 40.7 4.9 42.4 10 53 A D H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.833 112.7 47.6 -65.4 -33.1 41.8 3.4 45.8 11 54 A Q H > S+ 0 0 75 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 112.0 50.4 -72.1 -36.9 45.4 3.5 44.7 12 55 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.966 112.2 47.5 -64.4 -51.4 45.0 7.1 43.5 13 56 A K H X S+ 0 0 74 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.897 111.2 49.9 -52.7 -47.7 43.4 8.1 46.8 14 57 A A H X S+ 0 0 62 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.905 114.7 43.5 -68.3 -39.0 46.1 6.3 49.0 15 58 A W H X S+ 0 0 43 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.916 117.1 46.1 -68.8 -45.1 49.0 8.0 47.1 16 59 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.960 111.7 51.1 -62.1 -52.6 47.3 11.4 47.1 17 60 A N H X S+ 0 0 57 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.864 110.0 51.2 -50.1 -41.8 46.3 11.2 50.7 18 61 A A H X S+ 0 0 46 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.900 109.0 49.9 -67.4 -42.6 50.0 10.3 51.6 19 62 A Q H >X S+ 0 0 25 -4,-2.1 4,-0.8 1,-0.2 3,-0.8 0.914 108.7 54.5 -56.8 -43.8 51.3 13.3 49.6 20 63 A Y H >X S+ 0 0 36 -4,-2.3 3,-0.9 1,-0.2 4,-0.6 0.883 100.3 56.7 -63.7 -43.5 48.9 15.6 51.4 21 64 A K H 3< S+ 0 0 167 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.741 107.3 51.9 -60.6 -24.6 49.9 14.7 55.0 22 65 A K H << S+ 0 0 168 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.716 88.9 80.2 -82.3 -24.2 53.5 15.7 54.1 23 66 A Y H << S- 0 0 17 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.895 75.5-156.4 -52.4 -47.0 52.6 19.1 52.8 24 67 A G < - 0 0 51 -4,-0.6 -1,-0.1 1,-0.1 2,-0.1 0.940 17.4-167.5 66.1 48.8 52.3 20.8 56.2 25 68 A L - 0 0 12 -5,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.392 19.6-115.2 -69.2 141.5 50.0 23.6 55.0 26 69 A S > - 0 0 48 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.318 29.0-106.7 -67.0 160.5 49.4 26.5 57.3 27 70 A K H > S+ 0 0 155 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.894 122.7 48.2 -55.1 -44.7 45.9 27.1 58.7 28 71 A S H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.867 109.0 53.3 -66.1 -40.0 45.5 30.1 56.3 29 72 A E H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.937 109.3 48.6 -60.3 -45.0 46.8 28.2 53.4 30 73 A K H X S+ 0 0 86 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.910 110.0 51.5 -63.7 -46.2 44.2 25.4 54.0 31 74 A E H X S+ 0 0 115 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.846 108.4 52.1 -55.9 -40.5 41.4 28.0 54.3 32 75 A A H X S+ 0 0 6 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.873 111.7 46.2 -67.0 -36.2 42.4 29.5 51.0 33 76 A I H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.883 110.0 52.1 -73.3 -41.4 42.3 26.1 49.3 34 77 A V H X S+ 0 0 48 -4,-2.5 4,-1.1 1,-0.2 131,-0.4 0.960 112.9 47.1 -58.3 -48.3 38.9 25.1 50.8 35 78 A S H X S+ 0 0 43 -4,-2.1 4,-1.1 1,-0.2 3,-0.2 0.857 106.2 58.1 -63.5 -37.8 37.5 28.4 49.5 36 79 A Y H X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 3,-0.4 0.876 103.4 52.5 -58.4 -42.2 39.1 27.9 46.1 37 80 A T H < S+ 0 0 15 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.794 111.3 48.2 -67.1 -28.1 37.2 24.6 45.6 38 81 A K H < S+ 0 0 108 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.685 130.5 17.4 -77.0 -23.8 33.9 26.5 46.5 39 82 A S H >X S+ 0 0 37 -4,-1.1 4,-2.0 -3,-0.4 3,-0.7 0.047 76.1 132.0-146.5 30.6 34.5 29.4 44.1 40 83 A A H 3X S+ 0 0 21 -4,-0.8 4,-3.1 1,-0.2 5,-0.3 0.835 73.2 58.1 -55.7 -41.8 37.2 28.4 41.6 41 84 A S H 3> S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.848 108.8 45.2 -62.7 -37.6 35.2 29.6 38.6 42 85 A E H <> S+ 0 0 67 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.905 116.0 46.3 -68.4 -46.3 35.0 33.1 40.0 43 86 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.940 116.6 42.4 -63.9 -50.1 38.7 33.2 40.9 44 87 A N H X S+ 0 0 13 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.875 112.4 56.0 -67.3 -36.1 39.9 31.8 37.7 45 88 A G H X S+ 0 0 26 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.895 108.6 46.4 -61.0 -43.7 37.5 34.0 35.7 46 89 A K H X S+ 0 0 62 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.890 111.2 53.2 -67.5 -37.7 38.9 37.2 37.4 47 90 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 6,-0.2 0.879 112.7 43.8 -64.4 -37.3 42.5 35.9 36.7 48 91 A R H ><5S+ 0 0 108 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.902 112.0 51.3 -73.5 -44.4 41.7 35.5 33.0 49 92 A Q H 3<5S+ 0 0 148 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.846 119.1 37.5 -59.3 -36.0 39.8 38.7 32.5 50 93 A N T ><5S- 0 0 68 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.2 0.282 108.2-121.4-102.8 8.5 42.7 40.7 34.1 51 94 A K T < 5S- 0 0 141 -3,-0.9 -3,-0.2 1,-0.3 -4,-0.1 0.862 74.4 -50.0 48.1 44.9 45.6 38.6 32.6 52 95 A G T 3 + 0 0 20 -2,-0.6 3,-1.4 1,-0.2 -1,-0.1 0.379 50.1 103.0 -99.3 4.5 45.5 41.0 40.9 55 98 A N T 3 S+ 0 0 135 1,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.849 82.2 46.9 -63.4 -40.2 46.0 44.6 41.9 56 99 A G T 3 S+ 0 0 76 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.593 90.9 107.7 -74.9 -12.2 42.4 45.7 41.4 57 100 A F S < S- 0 0 14 -3,-1.4 -3,-0.0 1,-0.1 5,-0.0 -0.239 83.9 -90.8 -63.3 152.5 40.9 42.6 43.2 58 101 A P > - 0 0 77 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.297 40.7-112.4 -50.4 151.4 39.3 43.0 46.7 59 102 A S H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.769 116.6 58.4 -67.3 -30.6 41.8 42.5 49.5 60 103 A N H > S+ 0 0 143 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 112.0 43.2 -60.1 -40.0 40.2 39.2 50.7 61 104 A L H > S+ 0 0 23 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.918 109.7 52.9 -75.2 -46.2 40.9 37.9 47.2 62 105 A I H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.948 113.3 47.8 -49.7 -47.8 44.4 39.3 46.8 63 106 A K H X S+ 0 0 113 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.909 111.4 49.3 -60.6 -45.4 45.1 37.6 50.1 64 107 A Q H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.932 111.5 48.5 -61.1 -45.8 43.5 34.3 49.0 65 108 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.910 110.8 50.4 -63.3 -44.8 45.5 34.3 45.7 66 109 A E H X S+ 0 0 103 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.826 111.2 50.2 -60.9 -34.1 48.8 35.0 47.5 67 110 A L H X S+ 0 0 22 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.869 110.1 47.9 -74.5 -36.8 48.1 32.1 49.9 68 111 A L H X S+ 0 0 1 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.913 114.3 48.5 -67.1 -40.0 47.3 29.7 47.1 69 112 A D H >< S+ 0 0 45 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.900 110.8 49.0 -63.8 -46.5 50.5 30.8 45.3 70 113 A K H >< S+ 0 0 122 -4,-2.1 3,-1.9 1,-0.2 4,-0.4 0.824 99.0 69.8 -64.3 -32.4 52.6 30.4 48.4 71 114 A S H >X S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.3 4,-0.6 0.738 85.4 68.4 -57.9 -28.7 51.1 26.9 49.1 72 115 A F T << S+ 0 0 2 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.485 82.4 72.5 -76.8 -5.3 53.0 25.5 46.0 73 116 A N T <4 S+ 0 0 98 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.823 109.3 34.5 -65.8 -34.4 56.3 26.0 47.9 74 117 A K T <4 S+ 0 0 86 -3,-1.0 2,-0.7 -4,-0.4 -2,-0.2 0.586 110.0 72.7 -92.5 -13.8 55.1 23.0 50.0 75 118 A M < + 0 0 1 -4,-0.6 82,-1.7 83,-0.1 2,-0.3 -0.856 54.4 142.0-117.5 96.6 53.3 21.1 47.2 76 119 A K B -I 156 0B 85 -2,-0.7 80,-0.2 80,-0.3 79,-0.1 -0.965 50.2-116.1-126.8 144.6 55.4 19.4 44.6 77 120 A T - 0 0 3 78,-2.1 77,-2.6 -2,-0.3 78,-0.1 -0.659 16.1-146.5 -77.2 137.9 54.9 16.0 42.9 78 121 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 75,-0.1 0.411 76.7 24.9 -85.8 1.8 57.6 13.5 43.8 79 122 A E S S- 0 0 58 73,-0.2 2,-0.2 76,-0.1 75,-0.1 -0.976 95.8 -77.3-155.4 162.2 57.4 11.8 40.3 80 123 A N + 0 0 40 -2,-0.3 -76,-1.8 -78,-0.2 2,-0.3 -0.531 61.3 177.8 -59.7 131.0 56.4 12.2 36.7 81 124 A I E -aB 4 151A 0 70,-2.4 70,-3.0 -78,-0.3 2,-0.5 -0.994 31.5-130.8-148.1 144.0 52.6 12.0 36.7 82 125 A M E - B 0 150A 12 -78,-2.7 -76,-0.3 -2,-0.3 2,-0.3 -0.854 27.2-171.0 -95.9 130.8 49.7 12.2 34.3 83 126 A L E - B 0 149A 0 66,-2.5 66,-2.6 -2,-0.5 2,-0.3 -0.854 6.9-145.3-120.8 161.0 46.8 14.4 35.3 84 127 A F E +CB 133 148A 7 49,-2.4 49,-2.0 -2,-0.3 2,-0.3 -0.883 15.1 178.1-133.1 156.2 43.4 14.8 33.8 85 128 A R E - B 0 147A 61 62,-1.4 62,-2.3 -2,-0.3 2,-0.4 -0.980 18.4-142.3-158.9 137.0 40.8 17.5 33.1 86 129 A G E - B 0 146A 0 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.845 24.5-175.9-101.0 140.9 37.4 17.8 31.4 87 130 A D E - B 0 145A 14 58,-2.3 58,-1.5 -2,-0.4 -2,-0.0 -0.987 20.1-132.0-137.8 146.5 36.4 20.9 29.4 88 131 A D > - 0 0 86 -2,-0.3 3,-1.8 55,-0.1 4,-0.3 -0.404 44.9 -89.7 -84.7 168.1 33.4 22.4 27.6 89 132 A P G > S+ 0 0 19 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.826 118.8 67.5 -50.6 -43.7 33.6 23.8 24.0 90 133 A A G > S+ 0 0 56 1,-0.3 3,-1.1 2,-0.2 7,-0.1 0.671 83.3 77.7 -52.1 -21.8 34.4 27.5 25.1 91 134 A Y G < S+ 0 0 31 -3,-1.8 -1,-0.3 1,-0.3 3,-0.1 0.841 94.3 48.4 -55.1 -35.6 37.8 26.2 26.3 92 135 A L G < S- 0 0 2 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.565 130.9 -73.9 -81.2 -11.3 38.9 26.2 22.6 93 136 A G X> - 0 0 14 -3,-1.1 3,-0.9 -4,-0.4 4,-0.5 -0.553 46.4 -77.5 133.6 160.4 37.6 29.7 22.0 94 137 A T G >4 S+ 0 0 122 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.841 124.1 62.8 -55.3 -37.3 34.4 31.7 21.5 95 138 A E G 34 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.825 102.4 49.2 -61.6 -31.9 34.2 30.4 17.9 96 139 A F G X> S+ 0 0 3 -3,-0.9 4,-1.7 -7,-0.2 3,-1.5 0.589 83.2 95.4 -82.7 -12.0 33.9 26.8 19.2 97 140 A Q T << S+ 0 0 89 -3,-1.1 4,-0.2 -4,-0.5 -1,-0.2 0.894 104.5 14.2 -48.7 -56.9 31.0 27.5 21.7 98 141 A N T 34 S+ 0 0 147 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 -0.037 129.0 54.2-110.1 27.7 28.2 26.5 19.4 99 142 A T T <4 S+ 0 0 71 -3,-1.5 12,-0.3 9,-0.0 -2,-0.2 0.479 83.5 74.6-134.2 -9.7 30.2 24.8 16.6 100 143 A L S < S+ 0 0 0 -4,-1.7 8,-2.6 1,-0.1 2,-0.5 0.866 92.4 62.2 -74.1 -35.4 32.3 22.0 18.1 101 144 A L B S-J 107 0C 82 -5,-0.3 6,-0.2 6,-0.2 -1,-0.1 -0.814 71.8-144.1-104.4 123.2 29.3 19.7 18.7 102 145 A N > - 0 0 56 4,-2.6 3,-1.2 -2,-0.5 -2,-0.0 -0.197 36.9-101.7 -60.9 166.9 27.0 18.1 16.1 103 146 A S T 3 S+ 0 0 119 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.808 122.4 54.5 -62.8 -34.2 23.3 17.7 16.9 104 147 A N T 3 S- 0 0 65 2,-0.1 -1,-0.2 1,-0.0 221,-0.1 0.403 122.7-102.8 -85.1 1.8 23.8 14.0 17.7 105 148 A G S < S+ 0 0 31 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.484 79.9 126.3 92.2 5.6 26.6 14.7 20.2 106 149 A T - 0 0 43 1,-0.1 -4,-2.6 -5,-0.0 2,-0.5 -0.524 70.0 -96.3 -88.4 161.6 29.6 13.8 18.1 107 150 A I B -J 101 0C 5 84,-2.6 2,-0.3 -6,-0.2 -6,-0.2 -0.682 38.2-122.0 -75.9 119.9 32.6 16.1 17.5 108 151 A N > - 0 0 49 -8,-2.6 4,-1.8 -2,-0.5 5,-0.1 -0.521 18.0-144.4 -56.9 125.9 32.1 18.0 14.2 109 152 A K H > S+ 0 0 150 -2,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.780 96.0 54.8 -72.6 -29.3 35.2 17.0 12.2 110 153 A T H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 110.3 45.4 -68.6 -45.1 35.6 20.5 10.6 111 154 A A H > S+ 0 0 9 -12,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.875 109.5 56.9 -63.3 -35.2 35.6 22.2 14.0 112 155 A F H X S+ 0 0 9 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.860 106.2 50.9 -61.5 -34.8 38.1 19.6 15.1 113 156 A E H X S+ 0 0 102 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.866 108.4 49.1 -72.7 -38.6 40.3 20.7 12.2 114 157 A K H X S+ 0 0 153 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.792 112.1 51.0 -69.4 -28.4 40.1 24.3 13.2 115 158 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.873 110.4 47.6 -73.7 -40.0 41.0 23.3 16.8 116 159 A K H X S+ 0 0 60 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.876 113.8 47.5 -68.6 -40.5 44.0 21.3 15.6 117 160 A A H < S+ 0 0 71 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.3 45.5 -63.9 -42.3 45.2 24.1 13.4 118 161 A K H < S+ 0 0 78 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.789 131.7 14.1 -71.5 -30.4 44.8 26.6 16.2 119 162 A F H >< S+ 0 0 23 -4,-1.8 3,-1.6 -5,-0.0 63,-0.3 0.666 85.1 114.6-124.9 -29.8 46.4 24.5 19.0 120 163 A L T 3< S+ 0 0 64 -4,-1.9 63,-0.2 -5,-0.3 3,-0.1 -0.285 94.6 0.8 -61.1 135.6 48.5 21.5 17.9 121 164 A N T 3 S+ 0 0 118 61,-1.9 2,-0.3 1,-0.2 -1,-0.3 0.759 109.5 119.6 57.5 31.7 52.2 21.8 18.6 122 165 A K < - 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