==== 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 2C89 . 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 . 810 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 73.5 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 18.3 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 . 62 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 27.5 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 4 0 0 0 0 0 1 4 2 5 0 2 0 0 0 0 0 0 0 3 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 0 116 0, 0.0 2,-0.4 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 161.6 61.5 9.4 29.9 2 45 A T - 0 0 124 78,-0.0 2,-0.5 148,-0.0 78,-0.2 -0.856 360.0-148.1-113.8 144.4 58.5 7.6 31.4 3 46 A Y - 0 0 53 -2,-0.4 2,-0.3 76,-0.1 78,-0.3 -0.943 22.3-117.3-118.4 126.4 55.5 9.0 33.3 4 47 A Q B -a 81 0A 59 76,-2.2 78,-2.6 -2,-0.5 2,-0.6 -0.452 28.8-167.7 -60.1 119.5 53.7 7.3 36.1 5 48 A E - 0 0 90 -2,-0.3 2,-0.2 76,-0.2 130,-0.1 -0.966 15.8-138.0-111.3 115.6 50.0 6.7 35.1 6 49 A F + 0 0 9 128,-0.6 3,-0.1 -2,-0.6 610,-0.0 -0.554 22.4 178.5 -71.6 134.7 47.8 5.6 38.0 7 50 A T + 0 0 34 -2,-0.2 610,-3.6 1,-0.2 2,-0.4 0.303 63.3 58.1-118.1 3.9 45.4 2.9 36.9 8 51 A N > - 0 0 13 608,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.993 68.1-144.0-143.2 127.6 43.7 2.3 40.3 9 52 A I H > S+ 0 0 42 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.899 103.7 49.1 -58.2 -46.2 41.7 4.8 42.4 10 53 A D H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 111.6 50.0 -62.9 -36.5 42.9 3.3 45.7 11 54 A Q H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 112.9 47.4 -65.3 -42.9 46.5 3.4 44.5 12 55 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.914 111.9 48.3 -66.8 -45.6 46.2 7.0 43.4 13 56 A K H X S+ 0 0 72 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.858 111.7 51.2 -61.6 -38.3 44.5 8.1 46.7 14 57 A A H X S+ 0 0 60 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.919 112.5 44.4 -68.7 -45.2 47.3 6.4 48.7 15 58 A W H X S+ 0 0 40 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.896 117.2 46.2 -63.3 -43.7 50.1 8.0 46.8 16 59 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 109.9 51.5 -67.7 -47.9 48.4 11.4 46.9 17 60 A N H X S+ 0 0 66 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.858 109.1 53.3 -55.0 -37.4 47.5 11.2 50.6 18 61 A A H X S+ 0 0 39 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.884 109.9 46.8 -67.2 -40.2 51.2 10.4 51.3 19 62 A Q H >X S+ 0 0 25 -4,-1.6 3,-0.7 1,-0.2 4,-0.6 0.910 109.8 53.4 -66.3 -44.0 52.4 13.5 49.4 20 63 A Y H >X S+ 0 0 38 -4,-2.6 3,-1.1 1,-0.2 4,-0.5 0.875 102.0 58.9 -60.8 -39.9 49.9 15.7 51.1 21 64 A K H 3< S+ 0 0 169 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.802 106.1 50.1 -59.0 -31.5 51.1 14.6 54.6 22 65 A K H << S+ 0 0 168 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.605 89.7 81.7 -81.3 -16.7 54.7 15.8 53.7 23 66 A Y H << S- 0 0 16 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 0.885 71.3-155.9 -63.7 -43.3 53.7 19.3 52.5 24 67 A G < - 0 0 55 -4,-0.5 -3,-0.1 -3,-0.2 -1,-0.1 0.891 19.7-170.9 65.3 40.4 53.5 21.1 55.8 25 68 A L - 0 0 11 -5,-0.3 -1,-0.2 1,-0.1 46,-0.0 -0.353 20.9-116.1 -61.7 141.3 51.1 23.8 54.5 26 69 A S > - 0 0 46 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.257 27.1-103.1 -71.0 166.8 50.5 26.7 56.8 27 70 A K H > S+ 0 0 165 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.912 124.0 47.6 -55.2 -45.3 47.0 27.4 58.2 28 71 A S H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 109.6 51.7 -67.3 -39.7 46.7 30.3 55.7 29 72 A E H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 110.4 49.0 -65.0 -43.6 47.8 28.3 52.8 30 73 A K H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.937 110.5 50.8 -59.2 -48.5 45.3 25.5 53.6 31 74 A E H X S+ 0 0 119 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.888 110.2 50.2 -57.0 -40.9 42.5 28.1 53.9 32 75 A A H X S+ 0 0 7 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.848 111.2 48.1 -67.8 -36.1 43.5 29.6 50.5 33 76 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.905 109.4 51.9 -72.5 -43.0 43.4 26.2 48.8 34 77 A V H X S+ 0 0 42 -4,-2.6 4,-1.1 1,-0.2 131,-0.4 0.949 112.0 47.4 -54.9 -51.3 40.0 25.3 50.3 35 78 A S H X S+ 0 0 44 -4,-2.1 4,-1.6 1,-0.2 3,-0.4 0.851 106.2 58.7 -60.4 -38.3 38.6 28.6 49.0 36 79 A Y H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 3,-0.4 0.918 102.9 52.4 -56.5 -45.4 40.2 27.9 45.6 37 80 A T H < S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.796 114.1 43.9 -65.8 -26.2 38.2 24.6 45.2 38 81 A K H < S+ 0 0 111 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.725 130.1 23.6 -82.2 -25.6 35.0 26.6 46.0 39 82 A S H >X S+ 0 0 34 -4,-1.6 4,-2.1 -3,-0.4 3,-0.5 0.106 76.8 125.9-133.4 21.4 35.8 29.6 43.7 40 83 A A H 3X S+ 0 0 21 -4,-1.2 4,-2.8 1,-0.3 5,-0.3 0.817 74.3 56.3 -60.4 -35.8 38.3 28.3 41.1 41 84 A S H 3> S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.917 111.1 44.3 -62.6 -43.2 36.2 29.5 38.1 42 85 A E H <> S+ 0 0 56 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.912 116.7 45.0 -64.8 -46.5 36.1 33.1 39.5 43 86 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 116.7 43.7 -67.3 -50.4 39.9 33.1 40.3 44 87 A N H X S+ 0 0 12 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.840 112.0 55.2 -64.6 -33.2 41.1 31.6 37.1 45 88 A G H X S+ 0 0 16 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.904 108.8 46.8 -63.8 -43.3 38.7 33.8 35.1 46 89 A K H X S+ 0 0 52 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.868 111.0 52.3 -68.4 -37.0 40.1 37.0 36.7 47 90 A L H <>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 6,-0.2 0.885 112.6 45.1 -65.5 -39.1 43.7 35.8 36.0 48 91 A R H ><5S+ 0 0 109 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.923 112.0 51.3 -69.3 -45.1 42.9 35.1 32.4 49 92 A Q H 3<5S+ 0 0 159 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.826 119.2 37.0 -60.1 -35.0 41.1 38.4 31.9 50 93 A N T ><5S- 0 0 76 -4,-1.7 3,-1.9 -5,-0.1 -1,-0.2 0.227 107.6-120.8-106.7 10.4 44.0 40.4 33.4 51 94 A K T < 5S- 0 0 140 -3,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.826 76.1 -49.3 51.5 39.2 46.8 38.2 31.9 52 95 A G T 3 + 0 0 18 -2,-0.6 3,-1.9 1,-0.2 -1,-0.1 0.407 48.9 104.2-103.2 0.7 46.7 40.8 40.2 55 98 A N T 3 S+ 0 0 139 1,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.833 83.1 46.7 -54.8 -40.0 47.2 44.5 41.2 56 99 A G T 3 S+ 0 0 76 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.437 88.5 108.9 -83.8 -1.8 43.6 45.5 40.6 57 100 A F S < S- 0 0 17 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.381 84.8 -90.0 -70.7 153.2 42.1 42.5 42.5 58 101 A P >> - 0 0 79 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.295 44.8-107.1 -56.7 152.8 40.4 43.1 45.8 59 102 A S H 3> S+ 0 0 93 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.791 117.7 54.9 -61.8 -33.3 42.9 42.8 48.7 60 103 A N H 3> S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.853 109.0 48.4 -67.1 -35.7 41.6 39.4 49.9 61 104 A L H <> S+ 0 0 13 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.852 107.8 54.3 -73.2 -35.6 42.0 37.9 46.5 62 105 A I H X S+ 0 0 40 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.951 110.9 46.7 -59.5 -47.8 45.6 39.3 46.1 63 106 A K H X S+ 0 0 112 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.886 112.4 50.2 -59.9 -43.0 46.5 37.6 49.4 64 107 A Q H X S+ 0 0 23 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.944 110.6 48.3 -63.3 -48.6 44.8 34.3 48.3 65 108 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.910 111.9 50.4 -57.9 -43.7 46.6 34.2 45.0 66 109 A E H X S+ 0 0 102 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.864 110.1 50.0 -64.1 -35.6 49.9 34.9 46.8 67 110 A L H X S+ 0 0 20 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.841 110.8 48.7 -73.4 -34.8 49.3 32.1 49.3 68 111 A L H X S+ 0 0 1 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.929 112.7 48.3 -67.1 -46.7 48.5 29.6 46.5 69 112 A D H >< S+ 0 0 46 -4,-2.5 3,-0.8 1,-0.2 4,-0.2 0.906 112.7 48.7 -56.6 -46.2 51.6 30.6 44.6 70 113 A K H >< S+ 0 0 123 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.816 99.1 68.4 -66.3 -32.4 53.7 30.3 47.8 71 114 A S H >X S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.3 4,-0.7 0.810 87.7 66.4 -57.6 -32.9 52.1 26.9 48.5 72 115 A F T << S+ 0 0 2 -4,-0.8 -1,-0.3 -3,-0.8 85,-0.2 0.641 82.9 73.4 -71.1 -13.2 54.0 25.4 45.5 73 116 A N T <4 S+ 0 0 94 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.806 109.8 33.7 -59.3 -30.1 57.3 26.0 47.3 74 117 A K T <4 S+ 0 0 85 -3,-1.7 2,-0.7 -4,-0.4 -2,-0.2 0.553 109.6 73.2 -99.4 -14.4 56.2 23.0 49.5 75 118 A M < + 0 0 1 -4,-0.7 82,-1.9 83,-0.1 2,-0.3 -0.848 54.3 144.0-115.8 95.2 54.3 21.0 46.8 76 119 A K B -I 156 0B 77 -2,-0.7 80,-0.2 80,-0.3 79,-0.1 -0.953 49.9-114.0-123.4 147.3 56.4 19.2 44.2 77 120 A T - 0 0 3 78,-2.3 77,-2.6 -2,-0.3 78,-0.1 -0.661 17.1-146.9 -77.2 134.6 55.9 15.9 42.5 78 121 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 75,-0.1 0.464 76.7 18.7 -80.3 -1.7 58.5 13.3 43.5 79 122 A E S S- 0 0 65 73,-0.1 2,-0.2 76,-0.1 76,-0.1 -0.976 96.9 -72.5-156.4 164.0 58.4 11.6 40.1 80 123 A N + 0 0 37 -2,-0.3 -76,-2.2 -78,-0.2 2,-0.3 -0.491 62.4 178.8 -56.9 130.1 57.4 11.9 36.4 81 124 A I E -aB 4 151A 1 70,-2.6 70,-2.9 -78,-0.3 2,-0.5 -0.978 30.9-131.1-144.0 148.7 53.6 11.7 36.5 82 125 A M E - B 0 150A 13 -78,-2.6 -76,-0.4 -2,-0.3 2,-0.3 -0.898 26.3-170.4-100.5 131.0 50.6 11.8 34.1 83 126 A L E - B 0 149A 0 66,-2.4 66,-3.0 -2,-0.5 2,-0.3 -0.886 8.1-143.3-122.2 154.5 47.7 14.2 35.1 84 127 A F E +CB 133 148A 10 49,-2.7 49,-1.9 -2,-0.3 2,-0.3 -0.902 16.3 176.7-125.7 146.0 44.2 14.4 33.5 85 128 A R E - B 0 147A 56 62,-1.9 62,-2.7 -2,-0.3 2,-0.4 -0.999 16.6-147.3-146.6 141.6 41.8 17.2 32.7 86 129 A G E - B 0 146A 0 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.906 21.4-177.9-107.4 141.2 38.4 17.5 31.0 87 130 A D E - B 0 145A 16 58,-2.7 58,-1.7 -2,-0.4 -2,-0.0 -0.963 21.9-127.0-137.9 152.6 37.4 20.6 29.1 88 131 A D > - 0 0 85 -2,-0.3 3,-1.9 56,-0.2 4,-0.3 -0.395 46.1 -88.6 -89.5 168.3 34.4 22.0 27.2 89 132 A P G > S+ 0 0 18 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.780 119.2 67.1 -51.5 -34.7 34.6 23.3 23.6 90 133 A A G > S+ 0 0 52 1,-0.3 3,-0.9 2,-0.2 7,-0.1 0.646 82.2 77.6 -66.5 -17.8 35.4 27.0 24.6 91 134 A Y G < S+ 0 0 27 -3,-1.9 -1,-0.3 1,-0.2 3,-0.1 0.825 94.9 49.3 -54.9 -34.5 38.8 25.8 25.8 92 135 A L G < S- 0 0 2 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.606 130.4 -71.8 -80.4 -14.7 39.9 25.6 22.2 93 136 A G X> - 0 0 14 -3,-0.9 3,-1.4 -4,-0.3 4,-0.5 -0.593 45.8 -79.8 137.6 159.5 38.6 29.1 21.4 94 137 A T G >4 S+ 0 0 123 1,-0.3 3,-0.8 -2,-0.2 4,-0.4 0.809 124.3 63.3 -55.7 -33.4 35.4 31.1 20.9 95 138 A E G 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.668 103.1 48.0 -69.9 -19.5 35.2 29.7 17.4 96 139 A F G X> S+ 0 0 6 -3,-1.4 4,-1.9 -7,-0.2 3,-1.2 0.535 84.2 94.1 -94.6 -9.8 34.8 26.2 18.8 97 140 A Q T << S+ 0 0 92 -3,-0.8 -7,-0.2 -4,-0.5 4,-0.1 0.886 105.5 13.6 -55.5 -50.4 32.1 27.0 21.4 98 141 A N T 34 S+ 0 0 143 -4,-0.4 -1,-0.3 -9,-0.1 -2,-0.1 -0.056 129.7 54.1-116.6 30.8 29.1 26.1 19.2 99 142 A T T <4 S+ 0 0 71 -3,-1.2 12,-0.3 9,-0.0 -2,-0.2 0.548 83.1 76.1-129.8 -23.1 30.9 24.2 16.4 100 143 A L S < S+ 0 0 0 -4,-1.9 8,-2.6 11,-0.1 2,-0.5 0.814 94.8 54.3 -66.0 -32.3 33.0 21.4 17.9 101 144 A L B -J 107 0C 69 -5,-0.3 6,-0.2 6,-0.2 -1,-0.1 -0.900 68.6-154.2-111.7 129.9 30.1 19.2 18.5 102 145 A N > - 0 0 73 4,-2.3 3,-1.1 -2,-0.5 6,-0.1 -0.133 46.6 -86.4 -76.6-174.5 27.5 18.0 16.0 103 146 A S T 3 S+ 0 0 77 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.612 123.8 63.4 -76.2 -13.0 24.0 17.0 17.1 104 147 A N T 3 S- 0 0 28 2,-0.2 -1,-0.2 422,-0.0 3,-0.1 0.404 114.8-110.5 -86.7 2.0 25.0 13.3 17.9 105 148 A G S < S+ 0 0 35 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.591 81.9 130.1 70.4 12.5 27.4 14.5 20.7 106 149 A T - 0 0 44 1,-0.1 -4,-2.3 87,-0.0 -1,-0.3 -0.766 69.7 -98.3-101.3 143.9 30.1 13.3 18.3 107 150 A I B -J 101 0C 6 84,-2.6 2,-0.6 -2,-0.3 -6,-0.2 -0.394 34.8-118.6 -63.6 127.3 33.0 15.6 17.4 108 151 A N > - 0 0 38 -8,-2.6 4,-2.2 -9,-0.2 3,-0.1 -0.603 21.3-146.0 -63.8 114.5 32.6 17.4 14.2 109 152 A K H > S+ 0 0 151 -2,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.761 95.7 53.9 -60.9 -31.0 35.5 16.1 12.2 110 153 A T H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 110.1 46.6 -67.6 -47.0 36.0 19.4 10.3 111 154 A A H > S+ 0 0 7 -12,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.854 108.8 57.1 -61.4 -36.8 36.3 21.3 13.6 112 155 A F H X S+ 0 0 8 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.907 105.9 49.3 -59.6 -43.9 38.6 18.7 14.9 113 156 A E H X S+ 0 0 97 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.865 110.6 50.2 -64.9 -37.6 41.0 19.3 11.9 114 157 A K H X S+ 0 0 137 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.901 109.5 50.8 -67.3 -42.2 40.9 23.1 12.6 115 158 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.3 0.856 109.2 52.3 -60.8 -37.0 41.7 22.5 16.3 116 159 A K H X S+ 0 0 60 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.905 110.3 47.2 -66.6 -42.9 44.6 20.3 15.2 117 160 A A H < S+ 0 0 75 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 114.3 48.3 -64.5 -40.0 46.0 23.1 12.9 118 161 A K H < S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.837 130.8 12.6 -66.9 -36.5 45.6 25.7 15.7 119 162 A F H >< S+ 0 0 21 -4,-1.8 3,-1.8 -5,-0.1 63,-0.4 0.674 86.2 112.5-122.6 -28.6 47.2 23.7 18.5 120 163 A L T 3< S+ 0 0 49 -4,-2.4 63,-0.2 -5,-0.3 3,-0.1 -0.339 96.0 3.4 -60.6 134.5 49.2 20.6 17.4 121 164 A N T 3 S+ 0 0 103 61,-2.0 2,-0.3 1,-0.2 -1,-0.3 0.700 111.4 113.5 62.4 25.1 53.0 21.0 17.9 122 165 A K < - 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